Jeffery B. Klauda

Biochemistry, Genetics and Molecular BiologyPhysics and AstronomyChemistryEnvironmental Science

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 100%percentile

0Author DataRank

Indexed papers

0in pilot corpus

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Papers

Driven by 25 papers. Top paper: “Membrane permeability of small molecules from unbiased molecular dynamics simulations”.

Membrane permeability of small molecules from unbiased molecular dynamics simulations

The Journal of Chemical Physics(2020)10.1063/5.0013429

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0DataRank · unranked

71 citations

An Ghysels, Eric Wang, Richard M. Venable, Jeffery B. Klauda, Bernard R. Brooks +2 more

Critical Sequence Hotspots for Binding of Novel Coronavirus to Angiotensin Converter Enzyme as Evaluated by Molecular Simulations

The Journal of Physical Chemistry B(2020)10.1021/acs.jpcb.0c05994

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0DataRank · unranked

69 citations

Bernard R. Brooks, Jeffery B. Klauda, Mahdi Ghorbani

Molecular dynamics simulations of ethanol permeation through single and double-lipid bilayers

The Journal of Chemical Physics(2020)10.1063/5.0013430

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0DataRank · unranked

33 citations

Eric Wang, Andreas Krämer, Jeffery B. Klauda, Mahdi Ghorbani

Semi-Automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion

ChemRxiv(2020)10.26434/chemrxiv.13480434

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0DataRank · unranked

10 citations

Andreas Krämer, Andrew C. Simmonett, Rick Venable, Alexander D. MacKerell, Jeffery B. Klauda +3 more

Critical Sequence Hot-spots for Binding of nCOV-2019 to ACE2 as Evaluated by Molecular Simulations

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.06.27.175448

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0DataRank · unranked

9 citations

Bernard R. Brooks, Jeffery B. Klauda, Mahdi Ghorbani

Exploring dynamics and network analysis of spike glycoprotein of SARS-COV-2

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.09.28.317206

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0DataRank · unranked

7 citations

Bernard R. Brooks, Jeffery B. Klauda, Mahdi Ghorbani

CHARMM36 Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for PE, PG, and Ether Lipids

ChemRxiv(2020)10.26434/chemrxiv.13480437.v1

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0DataRank · unranked

0 citations

Andreas Krämer, Rick Venable, Bernard R. Brooks, Jeffery B. Klauda, Richard W. Pastor +1 more

Semi-Automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion

ChemRxiv(2020)10.26434/chemrxiv.13480434.v1

N/A

0DataRank · unranked

0 citations

Andreas Krämer, Andrew C. Simmonett, Rick Venable, Alexander D. MacKerell, Jeffery B. Klauda +3 more

CHARMM36 Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for PE, PG, and Ether Lipids

ChemRxiv(2020)10.26434/chemrxiv.13480437

N/A

0DataRank · unranked

0 citations

Andreas Krämer, Rick Venable, Bernard R. Brooks, Jeffery B. Klauda, Richard W. Pastor +1 more

CHARMM36 Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Phosphatidylethanolamine, Phosphatidylglycerol, and Ether Lipids

Journal of Chemical Theory and Computation(2021)10.1021/acs.jctc.0c01327

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0DataRank · unranked

118 citations

Andreas Krämer, Richard M. Venable, Bernard R. Brooks, Jeffery B. Klauda, Richard W. Pastor +1 more

Semi-automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion

Journal of Chemical Theory and Computation(2021)10.1021/acs.jctc.0c01326

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0DataRank · unranked

78 citations

Andreas Krämer, Richard M. Venable, Andrew C. Simmonett, Alexander D. MacKerell, Jeffery B. Klauda +3 more

Exploring dynamics and network analysis of spike glycoprotein of SARS-COV-2

Biophysical Journal(2021)10.1016/j.bpj.2021.02.047

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0DataRank · unranked

29 citations

Bernard R. Brooks, Jeffery B. Klauda, Mahdi Ghorbani

Simulations of Diabetic and Non-Diabetic Peripheral Nerve Myelin Lipid Bilayers

The Journal of Physical Chemistry B(2021)10.1021/acs.jpcb.1c01621

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0DataRank · unranked

10 citations

Yalun Yu, Jeffery B. Klauda, Yiding Yuan

Location and Conformational Ensemble of Menaquinone and Menaquinol, and Protein–Lipid Modulations in Archaeal Membranes

The Journal of Physical Chemistry B(2021)10.1021/acs.jpcb.1c01930

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0DataRank · unranked

12 citations

Ruixing Wang, Richard W. Pastor, Jeffery B. Klauda, Wonpil Im, Shasha Feng

A replica exchange umbrella sampling (REUS) approach to predict host–guest binding free energies in SAMPL8 challenge

Journal of Computer-Aided Molecular Design(2021)10.1007/s10822-021-00385-7

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0DataRank · unranked

8 citations

Phillip S. Hudson, Michael R. Jones, Félix Aviat, Rubén Meana‐Pañeda, Jeffery B. Klauda +2 more

Antimicrobial Peptide Mechanism Studied by Scattering-Guided Molecular Dynamics Simulation

The Journal of Physical Chemistry B(2022)10.1021/acs.jpcb.2c03193

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0DataRank · unranked

32 citations

Ànna Pavlova, Tyler Cline, Aria Salyapongse, Richard E. Gillilan, Y. Peter Di +5 more

A reengineered common chain cytokine augments CD8+ T cell–dependent immunotherapy

JCI Insight(2022)10.1172/jci.insight.158889

N/A

0DataRank · unranked

4 citations

Dongge Li, Yizhan Guo, Zhongcheng Mei, Christine L. Lau, Kelly Chen +6 more

Deep attention based variational autoencoder for antimicrobial peptide discovery

bioRxiv (Cold Spring Harbor Laboratory)(2022)10.1101/2022.07.08.499340

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0DataRank · unranked

12 citations

Samarjeet Prasad, Bernard R. Brooks, Jeffery B. Klauda, Mahdi Ghorbani

Drude Polarizable Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Saturated and Monounsaturated Zwitterionic Lipids

Journal of Chemical Theory and Computation(2023)10.1021/acs.jctc.3c00203

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0DataRank · unranked

38 citations

Richard M. Venable, Jonathan Thirman, Payal Chatterjee, Anmol Kumar, Richard W. Pastor +4 more

Molecular mechanism of EAG1 channel inhibition by imipramine binding to the PAS domain

Journal of Biological Chemistry(2023)10.1016/j.jbc.2023.105391

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0DataRank · unranked

14 citations

Mahdi Ghorbani, Xi Chen, Purushottam B. Tiwari, Jeffery B. Klauda, Tinatin I. Brelidze +1 more

Simulations of naïve and KLA-activated macrophage plasma membrane models

Biochimica et Biophysica Acta (BBA) - Biomembranes(2023)10.1016/j.bbamem.2023.184242

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0DataRank · unranked

1 citations

Si Jia Chen, Jeffery B. Klauda, Yueqi Niu

CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed

The Journal of Physical Chemistry B(2024)10.1021/acs.jpcb.4c04100

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0DataRank · unranked

116 citations

Steven L. Austin, Arnaud Blondel, Eric D. Boittier, Stefan Boresch, Matthias Buck +68 more

Modeling asymmetric cell membranes at all-atom resolution

Methods in enzymology on CD-ROM/Methods in enzymology(2024)10.1016/bs.mie.2024.03.009

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0DataRank · unranked

5 citations

Anthony J. Pane, Jeffery B. Klauda, Jessica Bodosa

Identification of Plasma Free Fatty Acid Carrier Proteins in Mice

The FASEB Journal(2025)10.1096/fj.202501328r

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0DataRank · unranked

8 citations

Yi Zhang, Rodrigo Mohallem, Uma K. Aryal, Jeffery B. Klauda, Gregory C. Henderson +1 more

Thermodynamics of arginine interactions with organic phosphates

Biophysical Journal(2025)10.1016/j.bpj.2025.05.019

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0DataRank · unranked

3 citations

Madolyn Britt, Bernard R. Brooks, Sergei Sukharev, Jeffery B. Klauda, Jiyeon Min