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Jens Meiler

Jens Meiler

Vanderbilt University

ORCID: 0000-0001-8945-193X

Computer ScienceBiochemistry, Genetics and Molecular Biology

Pilot corpus only

This score is computed over theSindex pilot corpus and does not cover the full scientific literature. Scores are relative to papers we have ingested — papers, authors, and institutions outside the pilot are not represented. Methodology.

Top 5%percentile

0.536Author DataRank

Indexed papers

3in pilot corpus

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Why this DataRank?

An author's DataRank is the sum of the DataRanks of all 3 indexed papers attributed to them. A prolific author with many moderate-impact papers can outrank one with a single high-impact paper.

Author scores recompute whenever paper DataRanks are refreshed, so this number lags the underlying paper scores by at most one batch run.

Read the full methodology →

Top data-sharing exemplar

The highest-impact dataset this researcher has shared, ranked by DataRank — the single contribution doing the most to lift their data-sharing standing.

IHMCIF: An Extension of the PDBx/mmCIF Data Standard for Integrative Structure Determination Methods

Journal of Molecular Biology(2024)10.1016/j.jmb.2024.168546

Top 46%

0.395DataRank

Top 46%11 citations

Benjamin Webb, John Westbrook, Thomas D. Goddard, Christian A. Hanke, Andrea Graziadei +30 more

Papers

Driven by 192 papers — median percentile 42. Top paper: “Potently neutralizing and protective human antibodies against SARS-CoV-2”.

Potently neutralizing and protective human antibodies against SARS-CoV-2

Nature(2020)10.1038/s41586-020-2548-6

N/A

14.8DataRank · unranked

1192 citations

Pavlo Gilchuk, James Brett Case, Elad Binshtein, Rita E. Chen, Joseph P. Nkolola +36 more

Structure and physiological function of the human KCNQ1 channel voltage sensor intermediate state

eLife(2020)10.7554/elife.53901

N/A

1.2DataRank · unranked

59 citations

Po Wei Kang, Panpan Hou, Nien-Du Yang, Georg Kuenze, Jarrod A. Smith +10 more

Rosetta3: An Object-Oriented Software Suite for the Simulation and Design of Macromolecules

UNC Libraries(2020)10.17615/8ga2-9t05

N/A

0.752DataRank · unranked

149 citations

Monica Berrondo, Andrew Leaver-Fay, James Thompson, S. I. Cooper, Daniel J. Mandell +27 more

Benchmarking AlphaFold2 on peptide structure prediction

Structure(2022)10.1016/j.str.2022.11.012

N/A

0.749DataRank · unranked

146 citations

Taylor Jones, Lars Plate, Jens Meiler, Alican Gulsevin, Eli Fritz McDonald

Molecular architecture of the human caveolin-1 complex

Science Advances(2022)10.1126/sciadv.abn7232

N/A

0.724DataRank · unranked

124 citations

Bing Han, Alican Gulsevin, Jeong Min Chung, Yelena Peskova, Sarah M. Connolly +6 more

Identifying digenic disease genes via machine learning in the Undiagnosed Diseases Network

The American Journal of Human Genetics(2021)10.1016/j.ajhg.2021.08.010

N/A

0.617DataRank · unranked

60 citations

Joy D. Cogan, John H. Newman, John A. Phillips, Rizwan Hamid, Jens Meiler +2 more

Dual pancreatic adrenergic and dopaminergic signaling as a therapeutic target of bromocriptine

iScience(2022)10.1016/j.isci.2022.104771

N/A

0.596DataRank · unranked

20 citations

Suzanne Bertera, Laura Friggeri, Marta Sánchez‐Soto, Jeongkyung Lee, Xiangning Xue +10 more

Antigenic mapping and functional characterization of human New World hantavirus neutralizing antibodies

eLife(2023)10.7554/elife.81743

N/A

0.538DataRank · unranked

35 citations

Elad Binshtein, Rebecca L. Brocato, Natalia A. Kuzmina, Lucia M. Principe, Steven A. Kwilas +17 more

Rosetta design with co-evolutionary information retains protein function

PLoS Computational Biology(2021)10.1371/journal.pcbi.1008568

N/A

0.505DataRank · unranked

28 citations

Moritz Ertelt, Rainer Merkl, Jens Meiler, Samuel Schmitz

Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks

Nature Communications(2021)10.1038/s41467-021-27222-7

N/A

0.500DataRank · unranked

27 citations

Sergey Lyskov, Steven M. Lewis, Jared Adolf‐Bryfogle, Rebecca F. Alford, Kyle A. Barlow +45 more

Structural determinants of cholesterol recognition in helical integral membrane proteins

Biophysical Journal(2021)10.1016/j.bpj.2021.02.028

N/A

0.470DataRank · unranked

22 citations

Georg Kuenze, Bian Li, Charles R. Sanders, Jens Meiler, Brennica Marlow

Rosetta FlexPepDock to predict peptide-MHC binding: An approach for non-canonical amino acids

PLoS ONE(2022)10.1371/journal.pone.0275759

N/A

0.464DataRank · unranked

21 citations

Natália R. Barbaro, Rocco Moretti, David G. Harrison, Jens Meiler, Nathaniel Bloodworth

Prediction of HIV‐1 Protease/Inhibitor Affinity using RosettaLigand

Chemical Biology & Drug Design(2012)10.1111/j.1747-0285.2012.01356.x

N/A

0.449DataRank · unranked

19 citations

Kristian Kaufmann, Jens Meiler, Gordon Lemmon

IHMCIF: An Extension of the PDBx/mmCIF Data Standard for Integrative Structure Determination Methods

Journal of Molecular Biology(2024)10.1016/j.jmb.2024.168546

Top 46%

0.395DataRank

Top 46%11 citations

Benjamin Webb, John Westbrook, Thomas D. Goddard, Christian A. Hanke, Andrea Graziadei +30 more

Structural analysis of the P132L disease mutation in caveolin-1 reveals its role in the assembly of oligomeric complexes

Journal of Biological Chemistry(2023)10.1016/j.jbc.2023.104574

N/A

0.373DataRank · unranked

11 citations

Alican Gulsevin, Sarah M. Connolly, Ting Wang, Brigitte Meyer, Jason C. Porta +10 more

Personalized structural biology reveals the molecular mechanisms underlying heterogeneous epileptic phenotypes caused by de novo KCNC2 variants

Human Genetics and Genomics Advances(2022)10.1016/j.xhgg.2022.100131

N/A

0.373DataRank · unranked

11 citations

Thomas Cassini, Ningning Hu, Tao Yang, Bian Li, Wangzhen Shen +13 more

Specificity and affinity of the N-terminal residues in staphylocoagulase in binding to prothrombin

Journal of Biological Chemistry(2020)10.1074/jbc.ra120.012588

N/A

0.370DataRank · unranked

5 citations

Heather K. Kroh, Mary E. Aschenbrenner, Breanne Gibson, Peter Panizzi, Jonathan H. Sheehan +4 more

An Investigation of Three-finger Toxin – nAChR Interactions through Rosetta Protein Docking

Preprints.org(2020)10.20944/preprints202008.0318.v1

N/A

0.330DataRank · unranked

8 citations

Jens Meiler, Alican Gulsevin

Disease-linked supertrafficking of a potassium channel

Journal of Biological Chemistry(2021)10.1016/j.jbc.2021.100423

N/A

0.330DataRank · unranked

8 citations

Laura M. Chamness, Carlos G. Vanoye, Georg Kuenze, Jens Meiler, Alfred L. George +3 more

Computational identification of HCV neutralizing antibodies with a common HCDR3 disulfide bond motif in the antibody repertoires of infected individuals

Nature Communications(2022)10.1038/s41467-022-30865-9

N/A

0.330DataRank · unranked

8 citations

Andrew I. Flyak, Benjamin P. Brown, Stormy E Ruiz, Jordan Salas, Semi Rho +8 more

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13

Journal of Chemical Information and Modeling(2025)10.1021/acs.jcim.5c00535

N/A

0.292DataRank · unranked

6 citations

Madhushika Silva, Ayaz Ahmad, Oscar E. A. Arce, Roly J. Armstrong, Cheryl Arrowsmith +105 more

Evolutionarily diverse caveolins share a common structural framework built around amphipathic disks

The Journal of Cell Biology(2025)10.1083/jcb.202411175

N/A

0.292DataRank · unranked

6 citations

Sarah M. Connolly, Darrin T. Schultz, Louis F.L. Wilson, Alican Gulsevin, Jens Meiler +4 more

Towards generalizable predictions for G protein-coupled receptor variant expression

Biophysical Journal(2022)10.1016/j.bpj.2022.06.018

N/A

0.292DataRank · unranked

5 citations

Hope Woods, Andrew G. McKee, Nathan B. Zelt, Jeffrey Mendenhall, Jens Meiler +2 more

Personalized structural biology reveals the molecular mechanisms underlying heterogeneous epileptic phenotypes caused by de novo KCNC2 variants

medRxiv(2022)10.1101/2022.02.01.21268115

N/A

0.191DataRank · unranked

1 citations

Thomas Cassini, Ningning Hu, Tao Yang, Bian Li, Wangzhen Shen +14 more

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13

ChemRxiv(2025)10.26434/chemrxiv-2025-8f0rq-v3

N/A

0.165DataRank · unranked

2 citations

Madhushika Silva, Abd Al‐Aziz A. Abu‐Saleh, Ayaz Ahmad, Jesus Antonio Alvarado-Huayhuaz, Oscar E. A. Arce +104 more

A Computational Analysis of the Factors Governing the Dynamics of α7 nAChR and Its Homologs

Biophysical Journal(2020)10.1016/j.bpj.2020.09.006

N/A

0.165DataRank · unranked

2 citations

Jens Meiler, Nicole A. Horenstein, Alican Gulsevin

Structural characterization of a breast cancer-associated mutation in caveolin-1

bioRxiv (Cold Spring Harbor Laboratory)(2022)10.1101/2022.05.23.493104

N/A

0.165DataRank · unranked

2 citations

Alican Gulsevin, Sarah M. Connolly, Ting Wang, Jason C. Porta, Ajit Tiwari +9 more

Template-free prediction of a new monotopic membrane protein fold and oligomeric assembly by Alphafold2

bioRxiv (Cold Spring Harbor Laboratory)(2022)10.1101/2022.07.12.499809

N/A

0.165DataRank · unranked

2 citations

Bing Han, Jason C. Porta, Hassane S. Mchaourab, Jens Meiler, Anne K. Kenworthy +1 more

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13

ChemRxiv(2025)10.26434/chemrxiv-2025-8f0rq

N/A

0.150DataRank · unranked

1 citations

Madhushika Silva, Abd Al‐Aziz A. Abu‐Saleh, Ayaz Ahmad, Jesus Antonio Alvarado-Huayhuaz, Oscar E. A. Arce +104 more

WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking

PubMed(2024)10.52202/079017-1686

Top 70%

0.141DataRank

Top 70%1 citations

Tyler Derr, Xin Wang, Rocco Moretti, Yu Wang, Jens Meiler +4 more

Rosetta’s Predictive Ability for Low-Affinity Ligand Binding in Fragment-Based Drug Discovery

bioRxiv (Cold Spring Harbor Laboratory)(2022)10.1101/2022.10.18.512794

N/A

0.104DataRank · unranked

1 citations

Shannon T. Smith, Brian J. Bender, Brittany Allison, Soumya Ganguly, Alexander R. Geanes +4 more

High Throughput Screening Identifies a Small Molecule Trafficking Corrector for Long-QT Syndrome Associated KCNQ1 Variants

bioRxiv (Cold Spring Harbor Laboratory)(2025)10.1101/2025.10.13.682066

N/A

0.104DataRank · unranked

1 citations

Carlos G. Vanoye, Ana C Chang-Gonzalez, Ian M. Romaine, Katherine M. Stefanski, Mason C. Wilkinson +12 more

Genomics-informed drug-repurposing strategy identifies two therapeutic targets for preventing liver disease associated with metabolic dysfunction

The American Journal of Human Genetics(2025)10.1016/j.ajhg.2025.06.014

N/A

0.104DataRank · unranked

1 citations

Alexis T. Akerele, Joseph A. DeCorte, Jacklyn N. Hellwege, Joseph H. Breeyear, Jeewoo Kim +17 more

Therapeutic alphavirus cross-reactive E1 human antibodies inhibit viral egress

Cell(2021)10.1016/j.cell.2021.07.033

N/A

0DataRank · unranked

51 citations

Kristen M. Reeder, Kevin W. Bailey, Minh H. Tran, Vicky Roy, Mallorie E. Fouch +23 more

General Purpose Structure-Based Drug Discovery Neural Network Score Functions with Human-Interpretable Pharmacophore Maps

Journal of Chemical Information and Modeling(2021)10.1021/acs.jcim.0c01001

N/A

0DataRank · unranked

38 citations

Jeffrey Mendenhall, Alexander R. Geanes, Jens Meiler, Benjamin P. Brown

Clinical, neuroimaging, and molecular spectrum of TECPR2 ‐associated hereditary sensory and autonomic neuropathy with intellectual disability

Human Mutation(2021)10.1002/humu.24206

N/A

0DataRank · unranked

31 citations

Barbara Brechmann, Gali Heimer, Ines Brösse, Susanna Schubert, Lauren O’Grady +45 more

Methodology for rigorous modeling of protein conformational changes by Rosetta using DEER distance restraints

PLoS Computational Biology(2021)10.1371/journal.pcbi.1009107

N/A

0DataRank · unranked

25 citations

Kevin L. Jagessar, Jens Meiler, Hassane S. Mchaourab, Diego del Alamo

Psychomotor impairments and therapeutic implications revealed by a mutation associated with infantile Parkinsonism-Dystonia

eLife(2021)10.7554/elife.68039

N/A

0DataRank · unranked

23 citations

Mary Hongying Cheng, Josep Font, Alexandra C. Schwartz, Kaitlyn V. Ledwitch, Amanda M. Duran +14 more

Ligand-binding and -scavenging of the chemerin receptor GPR1

Cellular and Molecular Life Sciences(2021)10.1007/s00018-021-03894-8

N/A

0DataRank · unranked

23 citations

Anne Sophie Czerniak, Tina Weiß, Clara T. Schoeder, Philipp Wolf, Oliver Seitz +3 more

Highly Selective Y4 Receptor Antagonist Binds in an Allosteric Binding Pocket

Journal of Medicinal Chemistry(2021)10.1021/acs.jmedchem.0c02000

N/A

0DataRank · unranked

22 citations

Oanh Vu, Mario Schubert, Yu Du, Nigam M. Mishra, Iain R. Tough +7 more

The Structural Basis of Peptide Binding at Class A G Protein-Coupled Receptors

Molecules(2021)10.3390/molecules27010210

N/A

0DataRank · unranked

21 citations

Brian J. Bender, Lisa Pankewitz, Daniel Huster, Annette G. Beck‐Sickinger, Jens Meiler +1 more

Systematic profiling of temperature- and retinal-sensitive rhodopsin variants by deep mutational scanning

Journal of Biological Chemistry(2021)10.1016/j.jbc.2021.101359

N/A

0DataRank · unranked

17 citations

Charles P. Kuntz, Joseph T. Ortega, Hope Woods, Victoria Most, Francis J. Roushar +4 more

Molecular basis for the evolved instability of a human G-protein coupled receptor

Cell Reports(2021)10.1016/j.celrep.2021.110046

N/A

0DataRank · unranked

17 citations

Nathan B. Zelt, Haley R. Harrington, Charles P. Kuntz, Brian J. Bender, Wesley D. Penn +4 more

Familial Autonomic Ganglionopathy Caused by Rare CHRNA3 Genetic Variants

Neurology(2021)10.1212/wnl.0000000000012143

N/A

0DataRank · unranked

15 citations

Karen M. Joos, John A. Phillips, Joy D. Cogan, John H. Newman, Rizwan Hamid +10 more

Binding of Natural Peptide Ligands to the Neuropeptide Y5 Receptor

Angewandte Chemie International Edition(2021)10.1002/anie.202108738

N/A

0DataRank · unranked

10 citations

Kerstin Kaempf, Oanh Vu, Jens Meiler, Annette G. Beck‐Sickinger, Irene Coin +1 more

Structural Perspective on Ancient Neuropeptide Y-like System reveals Hallmark Features for Peptide Recognition and Receptor Activation

Journal of Molecular Biology(2021)10.1016/j.jmb.2021.166992

N/A

0DataRank · unranked

9 citations

Victoria Elisabeth Groß, Oanh Vu, Clara T. Schoeder, Jens Meiler, Simone Prömel +2 more

A Multitask Deep-Learning Method for Predicting Membrane Associations and Secondary Structures of Proteins

Journal of Proteome Research(2021)10.1021/acs.jproteome.1c00410

N/A

0DataRank · unranked

9 citations

Jeffrey Mendenhall, John A. Capra, Jens Meiler, Bian Li

Computational redesign of a fluorogen activating protein with Rosetta

PLoS Computational Biology(2021)10.1371/journal.pcbi.1009555

N/A

0DataRank · unranked

6 citations

Joel M. Harp, Brian J. Bender, Alexey S. Gavrikov, D.A. Gorbachev, Михаил С. Баранов +6 more

An arginine residue in the outer segment of hASIC1a TM1 affects both proton affinity and channel desensitization

The Journal of General Physiology(2021)10.1085/jgp.202012802

N/A

0DataRank · unranked

8 citations

Georg Kuenze, Jens Meiler, Cecilia M. Canessa, Zhuyuan Chen

The Allosteric Activation of α7 nAChR by α-Conotoxin MrIC Is Modified by Mutations at the Vestibular Site

Toxins(2021)10.3390/toxins13080555

N/A

0DataRank · unranked

8 citations

Roger L. Papke, Clare Stokes, Hue N. T. Tran, Aihua Jin, Irina Vetter +2 more

Prediction of amphipathic helix—membrane interactions with Rosetta

PLoS Computational Biology(2021)10.1371/journal.pcbi.1008818

N/A

0DataRank · unranked

7 citations

Jens Meiler, Alican Gulsevin

Discovery and Optimization of a Novel Series of Competitive and Central Nervous System-Penetrant Protease-Activated Receptor 4 (PAR4) Inhibitors

ACS Chemical Neuroscience(2021)10.1021/acschemneuro.1c00557

N/A

0DataRank · unranked

4 citations

Matthew T. Duvernay, Sidnee G. Mitchell, Shannon T. Smith, Jae G. Maeng, Anna L. Blobaum +5 more

RosettaCM for antibodies with very long HCDR3s and low template availability

Proteins Structure Function and Bioinformatics(2021)10.1002/prot.26166

N/A

0DataRank · unranked

3 citations

Clara T. Schoeder, Samuel Schmitz, James E. Crowe, Jens Meiler, Pranav Kodali

Mapping of the fibrinogen-binding site on the staphylocoagulase C-terminal repeat region

Journal of Biological Chemistry(2021)10.1016/j.jbc.2021.101493

N/A

0DataRank · unranked

2 citations

Markus Voehler, Peter Panizzi, Jens Meiler, Paul Bock, Ingrid M. Verhamme +1 more

Sampling the conformational landscapes of transporters and receptors with AlphaFold2

bioRxiv (Cold Spring Harbor Laboratory)(2021)10.1101/2021.11.22.469536

N/A

0DataRank · unranked

11 citations

Davide Sala, Hassane S. Mchaourab, Jens Meiler, Diego del Alamo

Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks

bioRxiv (Cold Spring Harbor Laboratory)(2021)10.1101/2021.04.04.438423

N/A

0DataRank · unranked

4 citations

Sergey Lyskov, Steven M. Lewis, Jared Adolf‐Bryfogle, Rebecca F. Alford, Kyle A. Barlow +43 more

Mapping of the fibrinogen-binding site on the staphylocoagulase C-terminal repeat region

bioRxiv (Cold Spring Harbor Laboratory)(2021)10.1101/2021.06.29.450373

N/A

0DataRank · unranked

1 citations

Markus Voehler, Peter Panizzi, Jens Meiler, Paul Bock, Ingrid M. Verhamme +1 more

An active learning framework improves tumor variant interpretation

bioRxiv (Cold Spring Harbor Laboratory)(2021)10.1101/2021.11.08.467747

N/A

0DataRank · unranked

1 citations

Bian Li, Turner Pecen, Jens Meiler, Zachary D. Nagel, John A. Capra +2 more

Psychomotor Impairments and Therapeutic Implications Revealed by a Mutation Associated with Infantile Parkinsonism-Dystonia

bioRxiv (Cold Spring Harbor Laboratory)(2021)10.1101/2021.03.09.434693

N/A

0DataRank · unranked

0 citations

Mary Hongying Cheng, Josep Font, Alexandra C. Schwartz, Kaitlyn V. Ledwitch, Amanda M. Duran +14 more

Systematic Profiling of Temperature- and Retinal-Sensitive Rhodopsin Variants by Deep Mutational Scanning

bioRxiv (Cold Spring Harbor Laboratory)(2021)10.1101/2021.03.26.437229

N/A

0DataRank · unranked

0 citations

Charles P. Kuntz, Joseph T. Ortega, Hope Woods, Francis J. Roushar, Jens Meiler +3 more

Towards Generalizable Predictions for the Effects of Mutations on G-Protein Coupled Receptor Expression

bioRxiv (Cold Spring Harbor Laboratory)(2021)10.1101/2021.12.28.474371

N/A

0DataRank · unranked

0 citations

Hope Woods, Andrew G. McKee, Nathan B. Zelt, Jeffrey Mendenhall, Jens Meiler +2 more

Binding of Natural Peptide Ligands to the Neuropeptide Y5 Receptor

Angewandte Chemie(2021)10.1002/ange.202108738

N/A

0DataRank · unranked

0 citations

Kerstin Kaempf, Oanh Vu, Jens Meiler, Annette G. Beck‐Sickinger, Irene Coin +1 more

Sampling alternative conformational states of transporters and receptors with AlphaFold2

eLife(2022)10.7554/elife.75751

N/A

0DataRank · unranked

546 citations

Davide Sala, Hassane S. Mchaourab, Jens Meiler, Diego del Alamo

Integrated AlphaFold2 and DEER investigation of the conformational dynamics of a pH-dependent APC antiporter

Proceedings of the National Academy of Sciences(2022)10.1073/pnas.2206129119

N/A

0DataRank · unranked

39 citations

Lillian DeSousa, Rahul Nair, Suhaila Rahman, Jens Meiler, Hassane S. Mchaourab +1 more

Modeling of protein conformational changes with Rosetta guided by limited experimental data

Structure(2022)10.1016/j.str.2022.04.013

N/A

0DataRank · unranked

31 citations

Diego del Alamo, Hassane S. Mchaourab, Jens Meiler, Davide Sala

Introduction to the BioChemical Library (BCL): An Application-Based Open-Source Toolkit for Integrated Cheminformatics and Machine Learning in Computer-Aided Drug Discovery

Frontiers in Pharmacology(2022)10.3389/fphar.2022.833099

N/A

0DataRank · unranked

28 citations

Oanh Vu, Alexander R. Geanes, Sandeepkumar Kothiwale, Mariusz Butkiewicz, Edward W. Lowe +5 more

The Collagen Receptor Discoidin Domain Receptor 1b Enhances Integrin β1-Mediated Cell Migration by Interacting With Talin and Promoting Rac1 Activation

Frontiers in Cell and Developmental Biology(2022)10.3389/fcell.2022.836797

N/A

0DataRank · unranked

24 citations

Gema Bolás, Xiuqi Zhang, Mary Beth Browning Monroe, Ming‐Zhi Zhang, Jens Meiler +14 more

Principles of Alternating Access in LeuT-fold Transporters: Commonalities and Divergences

Journal of Molecular Biology(2022)10.1016/j.jmb.2022.167746

N/A

0DataRank · unranked

33 citations

Jens Meiler, Hassane S. Mchaourab, Diego del Alamo

Structural Comparative Modeling of Multi-Domain F508del CFTR

Biomolecules(2022)10.3390/biom12030471

N/A

0DataRank · unranked

22 citations

Hope Woods, Shannon T. Smith, Min‐Soo Kim, Clara T. Schoeder, Lars Plate +2 more

Epitope-focused immunogen design based on the ebolavirus glycoprotein HR2-MPER region

PLoS Pathogens(2022)10.1371/journal.ppat.1010518

N/A

0DataRank · unranked

21 citations

Pavlo Gilchuk, Amandeep K. Sangha, Kaitlyn V. Ledwitch, Delphine C. Malherbe, Xuan Zhang +15 more

Molecular basis for variations in the sensitivity of pathogenic rhodopsin variants to 9-cis-retinal

Journal of Biological Chemistry(2022)10.1016/j.jbc.2022.102266

N/A

0DataRank · unranked

20 citations

Andrew G. McKee, Charles P. Kuntz, Joseph T. Ortega, Wesley D. Penn, Hope Woods +6 more

Computational Structure Prediction for Antibody-Antigen Complexes From Hydrogen-Deuterium Exchange Mass Spectrometry: Challenges and Outlook

Frontiers in Immunology(2022)10.3389/fimmu.2022.859964

N/A

0DataRank · unranked

19 citations

Clara T. Schoeder, Kevin L. Schey, Jens Meiler, Minh H. Tran

Template-free prediction of a new monotopic membrane protein fold and assembly by AlphaFold2

Biophysical Journal(2022)10.1016/j.bpj.2022.11.011

N/A

0DataRank · unranked

16 citations

Bing Han, Jason C. Porta, Hassane S. Mchaourab, Jens Meiler, Anne K. Kenworthy +1 more

Veratridine Can Bind to a Site at the Mouth of the Channel Pore at Human Cardiac Sodium Channel NaV1.5

International Journal of Molecular Sciences(2022)10.3390/ijms23042225

N/A

0DataRank · unranked

12 citations

Andrew M. Glazer, Tiffany Shields, Brett M. Kroncke, Dan M. Roden, Jens Meiler +1 more

Predicting the functional impact of KCNQ1 variants with artificial neural networks

PLoS Computational Biology(2022)10.1371/journal.pcbi.1010038

N/A

0DataRank · unranked

9 citations

Georg Kuenze, Carlos G. Vanoye, Charles R. Sanders, Alfred L. George, Jens Meiler +1 more

The human antibody sequence space and structural design of the V, J regions, and CDRH3 with Rosetta

mAbs(2022)10.1080/19420862.2022.2068212

N/A

0DataRank · unranked

6 citations

Emily A. Schmitz, James E. Crowe, Jens Meiler, Samuel Schmitz

PlaceWaters: Real-time, explicit interface water sampling during Rosetta ligand docking

PLoS ONE(2022)10.1371/journal.pone.0269072

N/A

0DataRank · unranked

5 citations

Laura Shub, Jens Meiler, Shannon T. Smith

An Active Learning Framework Improves Tumor Variant Interpretation

Cancer Research(2022)10.1158/0008-5472.can-21-3798

N/A

0DataRank · unranked

5 citations

Bian Li, Turner Pecen, Jens Meiler, Zachary D. Nagel, John A. Capra +2 more

Computational epitope mapping of class I fusion proteins using low complexity supervised learning methods

PLoS Computational Biology(2022)10.1371/journal.pcbi.1010230

N/A

0DataRank · unranked

2 citations

James E. Crowe, Jens Meiler, Marion F. S. Fischer

Evolutionarily diverse caveolins share a common structural framework built around amphipathic discs

bioRxiv (Cold Spring Harbor Laboratory)(2022)10.1101/2022.11.15.516482

N/A

0DataRank · unranked

7 citations

Sarah M. Connolly, Louis F.L. Wilson, Darrin T. Schultz, Alican Gulsevin, Jens Meiler +4 more

Principles of Alternating Access in LeuT-fold Transporters: Commonalities and Divergences

ChemRxiv(2022)10.26434/chemrxiv-2022-nk6h3

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5 citations

Jens Meiler, Hassane S. Mchaourab, Diego del Alamo

Veratridine Can Bind to a Site at the Mouth of the Channel Pore at Human Cardiac Sodium Channel NaV1.5

Preprints.org(2022)10.20944/preprints202201.0046.v1

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4 citations

Andrew M. Glazer, Tiffany Shields, Brett M. Kroncke, Dan M. Roden, Jens Meiler +1 more

Molecular Basis for Variations in the Sensitivity of Pathogenic Rhodopsin Variants to 9- cis -Retinal

bioRxiv (Cold Spring Harbor Laboratory)(2022)10.1101/2022.03.01.482516

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0DataRank · unranked

3 citations

Andrew G. McKee, Charles P. Kuntz, Joseph T. Ortega, Wesley D. Penn, Hope Woods +6 more

Allele-specific activation, enzyme kinetics, and inhibitor sensitivities of EGFR exon 19 deletion mutations in lung cancer

bioRxiv (Cold Spring Harbor Laboratory)(2022)10.1101/2022.03.16.484661

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0DataRank · unranked

3 citations

Yunkai Zhang, Soyeon Kim, Patrick Finneran, Yingjun Yan, Zhenfang Du +7 more

First crystal structure of a non-canonical amino acid linked to a paramagnetic lanthanide tag facilitates protein structure determination using NMR-derived restraints

bioRxiv (Cold Spring Harbor Laboratory)(2022)10.1101/2022.04.10.487812

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0DataRank · unranked

3 citations

Soumya Ganguly, Heather L. Darling, Joel M. Harp, Alican Gulsevin, Irene Coin +5 more

Elucidation of Global Trends in the Effects of VX-661 and VX-445 on the Expression of Clinical CFTR Variants

bioRxiv (Cold Spring Harbor Laboratory)(2022)10.1101/2022.10.14.512300

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0DataRank · unranked

3 citations

Eli Fritz McDonald, Wesley D. Penn, Charles P. Kuntz, Karen Noguera, Laura M. Chamness +6 more

Integrated AlphaFold2 and DEER investigation of the conformational dynamics of a pH-dependent APC antiporter

bioRxiv (Cold Spring Harbor Laboratory)(2022)10.1101/2022.04.13.488180

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0DataRank · unranked

2 citations

Lillian DeSousa, Rahul Nair, Suhaila Rahman, Jens Meiler, Hassane S. Mchaourab +1 more

Modeling of protein conformational changes with Rosetta guided by limited experimental data

bioRxiv (Cold Spring Harbor Laboratory)(2022)10.1101/2022.02.14.480383

N/A

0DataRank · unranked

1 citations

Diego del Alamo, Hassane S. Mchaourab, Jens Meiler, Davide Sala

Biasing AlphaFold2 to predict GPCRs and Kinases with user-defined functional or structural properties

bioRxiv (Cold Spring Harbor Laboratory)(2022)10.1101/2022.12.11.519936

N/A

0DataRank · unranked

1 citations

Jens Meiler, Davide Sala

Molecular simulations reveal a mechanism for enhanced allosteric coupling between voltage-sensor and pore domains in KCNQ1 explaining its activation by ML277

bioRxiv (Cold Spring Harbor Laboratory)(2022)10.1101/2022.05.31.494217

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0DataRank · unranked

0 citations

Carlos G. Vanoye, Mason C. Wilkinson, Reshma R. Desai, Sneha Adusumilli, Charles R. Sanders +3 more

Pseudocontact shift NMR data obtained from a non-canonical amino acid-linked lanthanide tag improves integral membrane protein structure prediction

bioRxiv (Cold Spring Harbor Laboratory)(2022)10.1101/2022.09.14.507970

N/A

0DataRank · unranked

0 citations

Georg Künze, Katherine Larochelle, Elleansar Okwei, Lisa Pankewitz, Soumya Ganguly +4 more

Biasing AlphaFold2 to predict GPCRs and kinases with user-defined functional or structural properties

Frontiers in Molecular Biosciences(2023)10.3389/fmolb.2023.1121962

N/A

0DataRank · unranked

87 citations

Peter W. Hildebrand, Jens Meiler, Davide Sala

Time-resolved live-cell spectroscopy reveals EphA2 multimeric assembly

Science(2023)10.1126/science.adg5314

N/A

0DataRank · unranked

46 citations

Ryan Lingerak, Cameron J. Herting, Yifan Ge, Soyeon Kim, Paul Toth +11 more

Glycan masking in vaccine design: Targets, immunogens and applications

Frontiers in Immunology(2023)10.3389/fimmu.2023.1126034

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0DataRank · unranked

36 citations

James E. Crowe, Jens Meiler, Cristina E. Martina

General trends in the effects of VX-661 and VX-445 on the plasma membrane expression of clinical CFTR variants

Cell chemical biology(2023)10.1016/j.chembiol.2023.05.001

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0DataRank · unranked

32 citations

Eli Fritz McDonald, Wesley D. Penn, Charles P. Kuntz, Karen Noguera, Laura M. Chamness +6 more

Acquired Secondary HER2 Mutations Enhance HER2/MAPK Signaling and Promote Resistance to HER2 Kinase Inhibition in Breast Cancer

Cancer Research(2023)10.1158/0008-5472.can-22-3617

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0DataRank · unranked

30 citations

Abdullah Al Mamun, Hima Patel, Hiroaki Akamatsu, Dan Ye, Dhivya R. Sudhan +7 more

Computational modeling and prediction of deletion mutants

Structure(2023)10.1016/j.str.2023.04.005

N/A

0DataRank · unranked

23 citations

Dominic L. Schiano, Jonathan I. Aguirre, Kaitlyn V. Ledwitch, Eli Fritz McDonald, Markus Voehler +3 more

Targeting in silico GPCR conformations with ultra-large library screening for hit discovery

Trends in Pharmacological Sciences(2023)10.1016/j.tips.2022.12.006

N/A

0DataRank · unranked

18 citations

Hossein Batebi, Kaitlyn V. Ledwitch, Peter W. Hildebrand, Jens Meiler, Davide Sala

Sparse pseudocontact shift NMR data obtained from a non-canonical amino acid-linked lanthanide tag improves integral membrane protein structure prediction

Journal of Biomolecular NMR(2023)10.1007/s10858-023-00412-9

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0DataRank · unranked

6 citations

Georg Künze, Jacob R. McKinney, Elleansar Okwei, Katherine Larochelle, Lisa Pankewitz +5 more

Dark nanodiscs for evaluating membrane protein thermostability by differential scanning fluorimetry

Biophysical Journal(2023)10.1016/j.bpj.2023.11.019

N/A

0DataRank · unranked

3 citations

Eli Fritz McDonald, Preston D. Neufer, Jacob R. McKinney, Jens Meiler, Kaitlyn V. Ledwitch +1 more

Docking cholesterol to integral membrane proteins with Rosetta

PLoS Computational Biology(2023)10.1371/journal.pcbi.1010947

N/A

0DataRank · unranked

6 citations

Georg Kuenze, Jens Meiler, Julia Koehler Leman, Brennica Marlow

Rosetta’s Predictive Ability for Low-Affinity Ligand Binding in Fragment-Based Drug Discovery

Biochemistry(2023)10.1021/acs.biochem.2c00649

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0DataRank · unranked

4 citations

Shannon T. Smith, Brian J. Bender, Brittany Allison, Soumya Ganguly, Alexander R. Geanes +4 more

Divergent folding-mediated epistasis among unstable membrane protein variants

eLife(2023)10.7554/elife.92406

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0DataRank · unranked

2 citations

Charles P. Kuntz, Andrew G. McKee, Wesley D. Penn, Christopher M. Hemmerich, Douglas B. Rusch +5 more

Benchmarking AlphaMissense Pathogenicity Predictions Against Cystic Fibrosis Variants

bioRxiv (Cold Spring Harbor Laboratory)(2023)10.1101/2023.10.05.561147

N/A

0DataRank · unranked

8 citations

Kathryn E. Oliver, Jonathan P. Schlebach, Jens Meiler, Lars Plate, Eli Fritz McDonald

Approximating conformational Boltzmann distributions with AlphaFold2 predictions

bioRxiv (Cold Spring Harbor Laboratory)(2023)10.1101/2023.08.06.552168

N/A

0DataRank · unranked

6 citations

Richard A. Stein, Jens Meiler, Hassane S. Mchaourab, Benjamin P. Brown

Advancements in Ligand-Based Virtual Screening through the Synergistic Integration of Graph Neural Networks and Expert-Crafted Descriptors

bioRxiv (Cold Spring Harbor Laboratory)(2023)10.1101/2023.04.17.537185

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0DataRank · unranked

1 citations

Rocco Moretti, Yu Wang, Ha Dong, Bailu Yan, Bobby Bodenheimer +3 more

Data from An Active Learning Framework Improves Tumor Variant Interpretation

(2023)10.1158/0008-5472.c.6513986.v1

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0DataRank · unranked

0 citations

Bian Li, Turner Pecen, Jens Meiler, Zachary D. Nagel, John A. Capra +2 more

Dark nanodiscs as a model membrane for evaluating membrane protein thermostability by differential scanning fluorimetry

bioRxiv (Cold Spring Harbor Laboratory)(2023)10.1101/2023.05.08.539917

N/A

0DataRank · unranked

0 citations

Eli Fritz McDonald, Jacob R. McKinney, Jens Meiler, Kaitlyn V. Ledwitch, Jazlyn A. Selvasingh

Divergent Folding-Mediated Epistasis Among Unstable Membrane Protein Variants

bioRxiv (Cold Spring Harbor Laboratory)(2023)10.1101/2023.08.25.554866

N/A

0DataRank · unranked

0 citations

Charles P. Kuntz, Andrew G. McKee, Wesley D. Penn, Christopher M. Hemmerich, Douglas B. Rusch +5 more

Divergent Pairwise Epistasis in the Context of Unstable Membrane Protein Variants

(2023)10.7554/elife.92406.1

N/A

0DataRank · unranked

0 citations

Charles P. Kuntz, Andrew G. McKee, Wesley D. Penn, Christopher M. Hemmerich, Douglas B. Rusch +5 more

Recent Advances in Automated Structure-Based De Novo Drug Design

Journal of Chemical Information and Modeling(2024)10.1021/acs.jcim.4c00247

N/A

0DataRank · unranked

73 citations

Rocco Moretti, Jens Meiler, Yidan Tang

Benchmarking AlphaMissense pathogenicity predictions against cystic fibrosis variants

PLoS ONE(2024)10.1371/journal.pone.0297560

N/A

0DataRank · unranked

34 citations

Kathryn E. Oliver, Jonathan P. Schlebach, Jens Meiler, Lars Plate, Eli Fritz McDonald

Approximating Projections of Conformational Boltzmann Distributions with AlphaFold2 Predictions: Opportunities and Limitations

Journal of Chemical Theory and Computation(2024)10.1021/acs.jctc.3c01081

N/A

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32 citations

Richard A. Stein, Jens Meiler, Hassane S. Mchaourab, Benjamin P. Brown

MutationExplorer : a webserver for mutation of proteins and 3D visualization of energetic impacts

Nucleic Acids Research(2024)10.1093/nar/gkae301

N/A

0DataRank · unranked

31 citations

Christopher W. Moth, Nikola Ristic, Johanna K. S. Tiemann, Florian Seufert, Aleksandra Panfilova +6 more

CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson’s Disease Associated Protein

Journal of Chemical Information and Modeling(2024)10.1021/acs.jcim.4c01267

N/A

0DataRank · unranked

26 citations

Suzanne Ackloo, C.H. Arrowsmith, Fuqiang Ban, Christopher Barden, Hartmut Beck +91 more

Targeting adhesion G protein-coupled receptors. Current status and future perspectives

Structure(2024)10.1016/j.str.2024.10.022

N/A

0DataRank · unranked

18 citations

Lukas von Bredow, Jens Meiler, Ines Liebscher, Fabian Ließmann

Interpretable Deep-Learning p K a Prediction for Small Molecule Drugs via Atomic Sensitivity Analysis

Journal of Chemical Information and Modeling(2024)10.1021/acs.jcim.4c01472

N/A

0DataRank · unranked

6 citations

Benjamin P. Brown, R. Brooke Jeffrey, Jens Meiler, Joseph A. DeCorte

Discovery of Protease-Activated Receptor 4 (PAR4)-Tethered Ligand Antagonists Using Ultralarge Virtual Screening

ACS Pharmacology & Translational Science(2024)10.1021/acsptsci.3c00378

N/A

0DataRank · unranked

12 citations

Jackson B. Cassada, Lukas von Bredow, Kevin Erreger, Emma M. Webb, Trevor A. Trombley +12 more

Analysis of EGFR binding hotspots for design of new EGFR inhibitory biologics

Protein Science(2024)10.1002/pro.5141

N/A

0DataRank · unranked

10 citations

Bhuminder Singh, Adam W. Smith, Kaitlyn V. Ledwitch, Benjamin P. Brown, Christine M. Lovly +3 more

Targeting ion channels with ultra-large library screening for hit discovery

Frontiers in Molecular Neuroscience(2024)10.3389/fnmol.2023.1336004

N/A

0DataRank · unranked

8 citations

Palina Pliushcheuskaya, Jens Meiler, Georg Künze, Kortney M. Melançon

Modeling membrane geometries implicitly in Rosetta

Protein Science(2024)10.1002/pro.4908

N/A

0DataRank · unranked

7 citations

Julia Koehler Leman, Jens Meiler, Hope Woods

Non-canonical amino acids for site-directed spin labeling of membrane proteins

Current Opinion in Structural Biology(2024)10.1016/j.sbi.2024.102936

N/A

0DataRank · unranked

6 citations

Georg Künze, Elleansar Okwei, Davide Sala, Jens Meiler, Kaitlyn V. Ledwitch

Hederagenin is a Highly Selective Antagonist of the Neuropeptide FF Receptor 1 that Reveals Mechanisms for Subtype Selectivity

Angewandte Chemie International Edition(2024)10.1002/anie.202417786

N/A

0DataRank · unranked

4 citations

Fabian Ließmann, Claiborne W. Tydings, Tina Schermeng, Jan Stichel, Nicole Urban +4 more

Strategies of rational and structure-driven vaccine design for Arenaviruses

Infection Genetics and Evolution(2024)10.1016/j.meegid.2024.105626

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0DataRank · unranked

4 citations

Dieter S. Hoffmann, Johannes Klier, C Lange, Johanna Moeller, Victoria Most +9 more

Computer-Aided Design and Biological Evaluation of Diazaspirocyclic D4R Antagonists

ACS Chemical Neuroscience(2024)10.1021/acschemneuro.4c00086

N/A

0DataRank · unranked

6 citations

Benjamin P. Brown, Daniel Schultz, Julie L. Engers, Valerie M. Kramlinger, Jens Meiler +2 more

Sequence and structural insights of monoleucine-based sorting motifs contained within the cytoplasmic domains of basolateral proteins

Frontiers in Cell and Developmental Biology(2024)10.3389/fcell.2024.1379224

N/A

0DataRank · unranked

1 citations

Claiborne W. Tydings, Jens Meiler, Bhuminder Singh, Sarah Harmych

Backbone chemical shift and secondary structure assignments for mouse siderocalin

Biomolecular NMR Assignments(2024)10.1007/s12104-024-10171-9

N/A

0DataRank · unranked

1 citations

Nina G. Bozhanova, Markus Voehler, Jens Meiler, Clara T. Schoeder, Johanna Moeller

Divergent folding-mediated epistasis among unstable membrane protein variants

eLife(2024)10.7554/elife.92406.3

N/A

0DataRank · unranked

1 citations

Charles P. Kuntz, Andrew G. McKee, Wesley D. Penn, Christopher M. Hemmerich, Douglas B. Rusch +5 more

HyperMPNN – A general strategy to design thermostable proteins learned from hyperthermophiles

bioRxiv (Cold Spring Harbor Laboratory)(2024)10.1101/2024.11.26.625397

N/A

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12 citations

Phillip Schlegel, Max Beining, Leonard Kaysser, Jens Meiler, Clara T. Schoeder +1 more

CACHE Challenge #1: targeting the WDR domain of LRRK2, a Parkinson’s Disease associated protein

bioRxiv (Cold Spring Harbor Laboratory)(2024)10.1101/2024.07.18.603797

N/A

0DataRank · unranked

5 citations

Suzanne Ackloo, C.H. Arrowsmith, Fuqiang Ban, Christopher Barden, Hartmut Beck +90 more

SuperWater: Predicting Water Molecule Positions on Protein Structures by Generative AI

bioRxiv (Cold Spring Harbor Laboratory)(2024)10.1101/2024.11.18.624208

N/A

0DataRank · unranked

5 citations

Zhaoqian Su, Yunchao Liu, Xiaobo Lin, J. S. Smith, Tyler Derr +3 more

Ultra-large library screening with an evolutionary algorithm in Rosetta (REvoLd)

PubMed(2024)10.48550/arxiv.2404.17329

N/A

0DataRank · unranked

1 citations

Fabian Ließmann, Rocco Moretti, Jens Meiler, Paul Eisenhuth

Reviewer #2 (Public Review): Divergent Folding-Mediated Epistasis Among Unstable Membrane Protein Variants

(2024)10.7554/elife.92406.2.sa0

N/A

0DataRank · unranked

0 citations

Charles P. Kuntz, Andrew G. McKee, Wesley D. Penn, Christopher M. Hemmerich, Douglas B. Rusch +5 more

Hederagenin is a Highly Selective Antagonist of the Neuropeptide FF Receptor 1 that Reveals Mechanisms for Subtype Selectivity

Angewandte Chemie(2024)10.1002/ange.202417786

N/A

0DataRank · unranked

0 citations

Fabian Ließmann, Claiborne W. Tydings, Tina Schermeng, Jan Stichel, Nicole Urban +4 more

RosettaHDX: Predicting antibody-antigen interaction from hydrogen-deuterium exchange mass spectrometry data

Journal of Structural Biology(2025)10.1016/j.jsb.2025.108166

N/A

0DataRank · unranked

5 citations

Cristina E. Martina, Rocco Moretti, Marcus Nagel, Kevin L. Schey, Jens Meiler +1 more

Ultra-large library screening with an evolutionary algorithm in Rosetta (REvoLd)

Communications Chemistry(2025)10.1038/s42004-025-01758-x

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0DataRank · unranked

5 citations

Fabian Ließmann, Rocco Moretti, Jens Meiler, Paul Eisenhuth

Cholesterol allosteric modulation of the oxytocin receptor

Biophysical Journal(2025)10.1016/j.bpj.2025.04.023

N/A

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4 citations

Alexander Vogel, Georg Kuenze, Maik Pankonin, Franziska Reinhardt, Peter F. Stadler +3 more

Cache: Utilizing ultra-large library screening in Rosetta to identify novel binders of the WD-repeat domain of Leucine-Rich Repeat Kinase 2

Journal of Cheminformatics(2025)10.1186/s13321-025-01084-3

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3 citations

Paul Eisenhuth, Alexander Fürll, Oanh Vu, Rocco Moretti, Jens Meiler +1 more

Discovery of non-retinoid compounds that suppress the pathogenic effects of misfolded rhodopsin in a mouse model of retinitis pigmentosa

PLoS Biology(2025)10.1371/journal.pbio.3002932

N/A

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6 citations

Jacklyn M. Gallagher, Andrew G. McKee, Yidan Tang, Miguel Carmena‐Bargueño, Maria Azam +7 more

Recent developments in cystic fibrosis drug discovery: where are we today?

Expert Opinion on Drug Discovery(2025)10.1080/17460441.2025.2490250

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5 citations

Ashlyn G. Winters, JaNise J Jackson, John A. Olson, Min‐Soo Kim, Kaitlyn V. Ledwitch +7 more

RosettaAMRLD: A Reaction-Driven Approach for Structure-Based Drug Design from Combinatorial Libraries with Monte Carlo Metropolis Algorithms

Journal of Chemical Information and Modeling(2025)10.1021/acs.jcim.5c00497

N/A

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4 citations

Rocco Moretti, Jens Meiler, Yidan Tang

Similar Binding Mode of a 5-Sulfonylthiouracil Derivative Antagonist at Chemerin Receptors CMKLR1 and GPR1

Journal of Medicinal Chemistry(2025)10.1021/acs.jmedchem.5c00135

N/A

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2 citations

Alexander Fürll, Fabian Ließmann, Lukas von Bredow, Jan Stichel, C. David Weaver +4 more

Molecular basis for Gβγ-SNARE-mediated inhibition of synaptic vesicle fusion

Journal of Biological Chemistry(2025)10.1016/j.jbc.2025.110377

N/A

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2 citations

Benjamin K. Mueller, Ali İ. Kaya, Montana M. Young, Jackson B. Cassada, Eric W. Bell +7 more

Machine learning application to predict binding affinity between peptide containing non-canonical amino acids and HLA-A0201

PLoS ONE(2025)10.1371/journal.pone.0314833

N/A

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2 citations

Zhaoqian Su, Nathaniel Bloodworth, Yunchao Liu, Cristina E. Martina, David G. Harrison +2 more

Notch activity is modulated by the aGPCR Latrophilin binding the DSL ligand in C. elegans

Nature Communications(2025)10.1038/s41467-025-61730-0

N/A

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2 citations

Victoria Elisabeth Groß, Daniel Matúš, Iannis Charnay, Fabian Ließmann, Florian Seufert +6 more

Computational structure prediction of lanthipeptides with NMR data reveals underappreciated peptide flexibility

Protein Science(2025)10.1002/pro.70252

N/A

0DataRank · unranked

2 citations

Jens Meiler, Allison S. Walker, Claiborne W. Tydings

Identification of asporin as a HER3 ligand exposes a therapeutic vulnerability in prostate cancer

JCI Insight(2025)10.1172/jci.insight.187151

N/A

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2 citations

Hong Yuen Wong, Jorgen Jackson, Monika Antunovic, Brenda Rios, Evan Watkins +17 more

Drugit: crowd-sourcing molecular design of non-peptidic VHL binders

Nature Communications(2025)10.1038/s41467-025-58406-0

N/A

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2 citations

Christian A. Smethurst, Yvonne Westermaier, Moriz Mayer, Peter Greb, Roland Kousek +57 more

FakeRotLib: Expedient Noncanonical Amino Acid Parametrization in Rosetta

Journal of Chemical Information and Modeling(2025)10.1021/acs.jcim.5c01030

N/A

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2 citations

Benjamin P. Brown, Jens Meiler, Eric W. Bell

FakeRotLib: expedient non-canonical amino acid parameterization in Rosetta

bioRxiv (Cold Spring Harbor Laboratory)(2025)10.1101/2025.02.27.640629

N/A

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2 citations

Benjamin P. Brown, Jens Meiler, Eric W. Bell

Computational Engineering of siderocalin to modulate its binding affinity to the antihypertension drug candesartan

Journal of Structural Biology(2025)10.1016/j.jsb.2025.108180

N/A

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0 citations

Johanna Moeller, Nina G. Bozhanova, Markus Voehler, Anja Penk, Jens Meiler +2 more

General Trends in the Calnexin-Dependent Expression and Pharmacological Rescue of Clinical CFTR Variants

bioRxiv (Cold Spring Harbor Laboratory)(2025)10.1101/2025.04.03.647093

N/A

0DataRank · unranked

0 citations

John A. Olson, Minsoo Kim, Catherine Foye, JaNise Jackson, Eli Fritz McDonald +8 more

Crossover operators for molecular graphs with an application to virtual drug screening

Journal of Cheminformatics(2025)10.1186/s13321-025-00958-w

N/A

0DataRank · unranked

0 citations

Bruno J. Schmidt, Thomas Gatter, Richard Golnik, Paul Eisenhuth, Fabian Ließmann +3 more

General trends in the calnexin-dependent expression and pharmacological rescue of clinical CFTR variants

eLife(2025)10.7554/elife.107180

N/A

0DataRank · unranked

0 citations

John A. Olson, Minsoo Kim, Catherine Foye, JaNise J Jackson, Eli Fritz McDonald +8 more

ADCY3 Ser107Pro links difficulty awakening in the morning to adiposity through circadian regulation of adipose thermogenesis

bioRxiv (Cold Spring Harbor Laboratory)(2025)10.1101/2025.07.28.667339

N/A

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0 citations

Matthew Maher, Christopher W. Moth, Jens Meiler, Jacqueline M. Lane, Herman A. Taylor +3 more

CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2

ChemRxiv(2025)10.26434/chemrxiv-2025-d1v7v

N/A

0DataRank · unranked

0 citations

Madhushika Silva, G.J. Correy, Abd Al‐Aziz A. Abu‐Saleh, Suzanne Ackloo, C. Arrowsmith +74 more

Classification models distinguish functional and trafficking effects of KCNQ1 variants to enhance variant interpretation

bioRxiv (Cold Spring Harbor Laboratory)(2025)10.1101/2025.10.31.685955

N/A

0DataRank · unranked

0 citations

Eric W. Bell, Carlos G. Vanoye, Eduardo Guadarrama, Reshma R. Desai, Jean-Marc DeKeyser +7 more

Phenotypic Variability and Paternal Inheritance of a CHD8 Variant Causing Intellectual Developmental Disorder With Autism and Macrocephaly Confirmed by Epigenetic and Structural Analyses

Molecular Genetics & Genomic Medicine(2025)10.1002/mgg3.70165

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0 citations

Kimberly Ezell, Rizwan Hamid, Joy D. Cogan, Thomas Cassini, Lynette Rives +23 more

Circadian ADCY3 Ser107Pro variant bridges difficulty awakening in the morning and adiposity

iScience(2025)10.1016/j.isci.2025.114587

N/A

0DataRank · unranked

0 citations

Matthew Maher, Christopher W. Moth, Jens Meiler, Jacqueline M. Lane, Herman Taylor +3 more

Superwater as a generative AI framework to predict water molecule positions on protein structures

Communications Chemistry(2025)10.1038/s42004-025-01789-4

N/A

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3 citations

Yunchao Liu, Xiaobo Lin, J. S. Smith, Tyler Derr, Yinghao Wu +5 more

Front Cover: Balancing Histone Deacetylase (HDAC) Inhibition and Drug‐likeness: Biological and Physicochemical Evaluation of Class I Selective HDAC Inhibitors (ChemMedChem 9/2022)

ChemMedChem(2022)10.1002/cmdc.202200210

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0 citations

Reza Haschemi, Thomas Büch, Fabian B. Kraft, Birke Brumme, Andrea Schöler +6 more

Predicting susceptibility to SARS‐CoV‐2 infection based on structural differences in ACE2 across species

The FASEB Journal(2020)10.1096/fj.202001808r

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56 citations

Clara T. Schoeder, Jacquelyn A. Brown, C. Duncan Smart, Chris Moth, John P. Wikswo +5 more

Multi-state design of flexible proteins predicts sequences optimal for conformational change

PLoS Computational Biology(2020)10.1371/journal.pcbi.1007339

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28 citations

Alexander M. Sevy, James E. Crowe, Jens Meiler, Marion F. Sauer

Improving homology modeling from low-sequence identity templates in Rosetta: A case study in GPCRs

PLoS Computational Biology(2020)10.1371/journal.pcbi.1007597

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47 citations

Brennica Marlow, Jens Meiler, Brian J. Bender

Characterization of the ExoU activation mechanism using EPR and integrative modeling

Scientific Reports(2020)10.1038/s41598-020-76023-3

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14 citations

Samuel A. DeCero, Diego del Alamo, Molly O. Riegert, Jens Meiler, Dara W. Frank +2 more

Computationally Designed Cyclic Peptides Derived from an Antibody Loop Increase Breadth of Binding for Influenza Variants

Structure(2020)10.1016/j.str.2020.04.005

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25 citations

Iuliia M. Gilchuk, Benjamin P. Brown, Nina G. Bozhanova, Rachel S. Nargi, Mattie Jensen +3 more

Discovery of Marburg virus neutralizing antibodies from virus-naïve human antibody repertoires using large-scale structural predictions

Proceedings of the National Academy of Sciences(2020)10.1073/pnas.1922654117

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21 citations

Amandeep K. Sangha, Alexander M. Sevy, Pavlo Gilchuk, Kai Huang, Rachel S. Nargi +7 more

Human-likeness of antibody biologics determined by back-translation and comparison with large antibody variable gene repertoires

mAbs(2020)10.1080/19420862.2020.1758291

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16 citations

Cinque Soto, James E. Crowe, Jens Meiler, Samuel Schmitz

Delineating the Molecular Basis of the Calmodulin–bMunc13-2 Interaction by Cross-Linking/Mass Spectrometry—Evidence for a Novel CaM Binding Motif in bMunc13-2

Cells(2020)10.3390/cells9010136

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12 citations

Rocco Moretti, Christian Ihling, André Haedicke, Thomas Liepold, Noa Lipstein +4 more

An Investigation of Three-Finger Toxin—nAChR Interactions through Rosetta Protein Docking

Toxins(2020)10.3390/toxins12090598

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11 citations

Jens Meiler, Alican Gulsevin

Allosteric mechanism for KCNE1 modulation of KCNQ1 potassium channel activation

eLife(2020)10.7554/elife.57680

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41 citations

Carlos G. Vanoye, Reshma R. Desai, Sneha Adusumilli, Kathryn R. Brewer, Hope Woods +5 more

Better together: Elements of successful scientific software development in a distributed collaborative community

PLoS Computational Biology(2020)10.1371/journal.pcbi.1007507

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44 citations

Brian D. Weitzner, P. Douglas Renfrew, Steven M. Lewis, Rocco Moretti, Andrew M. Watkins +20 more

Structures Illuminate Cardiac Ion Channel Functions in Health and in Long QT Syndrome

Frontiers in Pharmacology(2020)10.3389/fphar.2020.00550

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39 citations

Georg Kuenze, Carlos G. Vanoye, Alfred L. George, Jens Meiler, Charles R. Sanders +1 more

Assessing multiple score functions in Rosetta for drug discovery

PLoS ONE(2020)10.1371/journal.pone.0240450

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38 citations

Jens Meiler, Shannon T. Smith

Integrated Structural Modeling of Full-Length LRH-1 Reveals Inter-domain Interactions Contribute to Receptor Structure and Function

Structure(2020)10.1016/j.str.2020.04.020

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37 citations

Georg Kuenze, Reece M. Hoffmann, Brandon E. Moeller, John E. Burke, Jens Meiler +2 more

Identification of a novel leptin receptor (LEPR) variant and proof of functional relevance directing treatment decisions in patients with morbid obesity

Metabolism(2020)10.1016/j.metabol.2020.154438

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36 citations

Philipp Wolf, Kathrin Landgraf, Robert Stein, Jürgen Kratzsch, Samuel Schmitz +7 more

PyIR: a scalable wrapper for processing billions of immunoglobulin and T cell receptor sequences using IgBLAST

BMC Bioinformatics(2020)10.1186/s12859-020-03649-5

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34 citations

Jessica A. Finn, Jordan R. Willis, Samuel B. Day, Robert S. Sinkovits, Taylor Jones +5 more

Lipocalin Blc is a potential heme‐binding protein

FEBS Letters(2020)10.1002/1873-3468.14001

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6 citations

M. Wade Calcutt, William N. Beavers, Benjamin P. Brown, Eric P. Skaar, Jens Meiler +1 more

Phenotypic Profiling in Subjects Heterozygous for 1 of 2 Rare Variants in the Hypophosphatasia Gene (ALPL)

Journal of the Endocrine Society(2020)10.1210/jendso/bvaa084

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9 citations

Jonathan H. Sheehan, John H. Newman, Jens Meiler, John A. Capra, Andrea H. Ramirez +3 more

DiB-splits: nature-guided design of a novel fluorescent labeling split system

Scientific Reports(2020)10.1038/s41598-020-67095-2

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7 citations

Alexey S. Gavrikov, Alexander S. Mishin, Jens Meiler, Nina G. Bozhanova

Comparative modeling and docking of chemokine-receptor interactions with Rosetta

Biochemical and Biophysical Research Communications(2020)10.1016/j.bbrc.2019.12.076

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5 citations

Benjamin K. Mueller, Brian J. Bender, Jens Meiler, Brian F. Volkman, Michael J. Wedemeyer

Which animals are at risk? Predicting species susceptibility to Covid-19

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.07.09.194563

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15 citations

CT Schoeder, JA Brown, C. Duncan Smart, Christopher W. Moth, J. P. JUN. WIKSWO +5 more

Structural Determinants of Cholesterol Recognition in Helical Integral Membrane Proteins

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.06.15.152025

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3 citations

Georg Kuenze, Bian Li, Charles R. Sanders, Jens Meiler, Brennica Marlow

Stabilization of the KCNQ1 Potassium Channel Causes Disease

Biophysical Journal(2020)10.1016/j.bpj.2019.11.740

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0 citations

Laura M. Chamness, Jonathan P. Schlebach, Arina Hadziselimovic, Georg Kuenze, Jens Meiler +3 more

Prediction of amphipathic helix – membrane interactions with Rosetta

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.06.15.152322

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0 citations

Jens Meiler, Alican Gulsevin

Disease-Linked Super-Trafficking of a Mutant Potassium Channel

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.07.29.227231

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0 citations

Laura M. Chamness, Carlos G. Vanoye, Georg Kuenze, Jens Meiler, Alfred L. George +3 more

Clinical, neuroimaging and molecular spectrum of TECPR2 -associated hereditary sensory and autonomic neuropathy with intellectual disability

medRxiv(2020)10.1101/2020.10.10.20202622

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0 citations

Barbara Brechmann, Gali Heimer, Ines Brösse, Susanna Schubert, Lauren O’Grady +45 more

A multi-task deep-learning system for predicting membrane associations and secondary structures of proteins

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.12.02.409045

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0 citations

Jeffrey Mendenhall, John A. Capra, Jens Meiler, Bian Li

Design of Protein Multi-specificity Using an Independent Sequence Search Reduces the Barrier to Low Energy Sequences

UNC Libraries(2020)10.17615/wbzw-9k68

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0 citations

James E. Crowe, Alexander M. Sevy, Timothy M. Jacobs, Jens Meiler

Co-occurring gain-of-function mutations in HER2 and HER3 modulate HER2/HER3 activation, oncogenesis, and HER2 inhibitor sensitivity

Cancer Cell(2021)10.1016/j.ccell.2021.06.001

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103 citations

Benjamin P. Brown, Jens Meiler, Arnaldo Marín, Harikrishna Sekar Jayanthan, Dan Ye +13 more

Structure–function analysis of oncogenic EGFR Kinase Domain Duplication reveals insights into activation and a potential approach for therapeutic targeting

Nature Communications(2021)10.1038/s41467-021-21613-6

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71 citations

Benjamin P. Brown, Soyeon Kim, Donna C. Ferguson, Dean C. Pavlick, Gowtham Jayakumaran +13 more

Modeling Immunity with Rosetta: Methods for Antibody and Antigen Design

Biochemistry(2021)10.1021/acs.biochem.0c00912

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62 citations

Samuel Schmitz, Jared Adolf‐Bryfogle, Alexander M. Sevy, Jessica A. Finn, Marion F. Sauer +20 more