Brian K. Shoichet

Biochemistry, Genetics and Molecular BiologyPhysics and AstronomyArts and Humanities

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 68 papers. Top paper: “A SARS-CoV-2-Human Protein-Protein Interaction Map Reveals Drug Targets and Potential Drug-Repurposing”.

A SARS-CoV-2-Human Protein-Protein Interaction Map Reveals Drug Targets and Potential Drug-Repurposing

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.03.22.002386

N/A

14.3DataRank · unranked

456 citations

Gwendolyn M. Jang, Mehdi Bouhaddou, Jiewei Xu, Kirsten Obernier, Matthew J. O’Meara +95 more

The Global Phosphorylation Landscape of SARS-CoV-2 Infection

Cell(2020)10.1016/j.cell.2020.06.034

N/A

10.3DataRank · unranked

1152 citations

Danish Memon, Bjoern Meyer, Kris M. White, Veronica V. Rezelj, Miguel Correa Marrero +73 more

High-affinity agonists reveal recognition motifs for the MRGPRD GPCR

Cell Reports(2024)10.1016/j.celrep.2024.114942

N/A

0.367DataRank · unranked

8 citations

Yongfeng Liu, Marion Lanier, Adam R. Yeager, Isha Singh, Ryan H. Gumpper +14 more

Allosteric ligands for the pharmacologically dark receptors GPR68 and GPR65

UNC Libraries(2020)10.17615/x7yw-fx68

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0DataRank · unranked

12 citations

Alice Jiang, Jian Jin, Sheng Wang, Wesley K. Kroeze, Bryan L. Roth +14 more

A pharmacological organization of G protein–coupled receptors

UNC Libraries(2020)10.17615/670m-tf47

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0DataRank · unranked

4 citations

Maria F. Sassano, Bryan L. Roth, Brian K. Shoichet, Henry C. Lin

Fragment Binding to the Nsp3 Macrodomain of SARS-CoV-2 Identified Through Crystallographic Screening and Computational Docking

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.11.24.393405

N/A

0DataRank · unranked

41 citations

G.J. Correy, Stefan Gahbauer, D. Fearon, Taiasean Wu, Roberto Efraín Díaz +47 more

D 4 dopamine receptor high-resolution structures enable the discovery of selective agonists

UNC Libraries(2020)10.17615/2q94-vv62

N/A

0DataRank · unranked

21 citations

Daniel Wacker, Bryan L. Roth, John D. McCorvy, Venkatakrishnan, Robin M. Betz +6 more

Chemical informatics and target identification in a zebrafish phenotypic screen

UNC Libraries(2020)10.17615/90rb-b065

N/A

0DataRank · unranked

0 citations

Henry C. Lin, Christian Laggner, Bryan L. Roth, Vincent Setola, David Kokel +7 more

In Vitro and In Vivo Characterization of the Alkaloid Nuciferine

UNC Libraries(2020)10.17615/39gt-9h56

N/A

0DataRank · unranked

0 citations

Alison I. Bernstein, Brian K. Shoichet, Bradley W. Gray, William C. Wetsel, Martilias S. Farrell +17 more

Ligand discovery from a dopamine D3 receptor homology model and crystal structure

UNC Libraries(2020)10.17615/e45z-q037

N/A

0DataRank · unranked

0 citations

Avner Schlessinger, Brian K. Shoichet, Hao Fan, Jens Carlsson, John J. Irwin +4 more

In silico design of novel probes for the atypical opioid receptor MRGPRX2

UNC Libraries(2020)10.17615/w4az-cw05

N/A

0DataRank · unranked

0 citations

Tao Che, Frank I. Carroll, Wesley K. Kroeze, Hiroshi Nagase, Joel Karpiak +7 more

In Silico Molecular Comparisons of C. elegans and Mammalian Pharmacology Identify Distinct Targets That Regulate Feeding

UNC Libraries(2020)10.17615/hdrf-bp38

N/A

0DataRank · unranked

0 citations

Zena Werb, Michael J. Keiser, Brian K. Shoichet, George A. Lemieux, Christian Laggner +5 more

Interaction energies between β-lactam antibiotics and E. coli penicillin-binding protein 5 by reversible thermal denaturation

UNC Libraries(2020)10.17615/rnc7-y766

N/A

0DataRank · unranked

0 citations

Brian K. Shoichet, Robert A. Nicholas, Beth M. Beadle

Drug-induced phospholipidosis confounds drug repurposing for SARS-CoV-2

Science(2021)10.1126/science.abi4708

N/A

0DataRank · unranked

223 citations

Veronica V. Rezelj, Benoit Fischer, Audrey Fischer, Matthew J. O’Meara, Blandine Monel +24 more

Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking

Science Advances(2021)10.1126/sciadv.abf8711

N/A

0DataRank · unranked

209 citations

G.J. Correy, Stefan Gahbauer, D. Fearon, Taiasean Wu, Roberto Efraín Díaz +48 more

Structures of the σ2 receptor enable docking for bioactive ligand discovery

Nature(2021)10.1038/s41586-021-04175-x

N/A

0DataRank · unranked

198 citations

Jiankun Lyu, João M. Bráz, Tia A. Tummino, Veronica Craik, Matthew J. O’Meara +11 more

Crystal structures of the σ 2 receptor template large-library docking for selective chemotypes active in vivo

bioRxiv (Cold Spring Harbor Laboratory)(2021)10.1101/2021.04.29.441652

N/A

0DataRank · unranked

7 citations

Jiankun Lyu, João M. Bráz, Tia A. Tummino, Veronica Craik, Matthew J. O’Meara +11 more

Phospholipidosis is a shared mechanism underlying the in vitro antiviral activity of many repurposed drugs against SARS-CoV-2

bioRxiv (Cold Spring Harbor Laboratory)(2021)10.1101/2021.03.23.436648

N/A

0DataRank · unranked

6 citations

Veronica V. Rezelj, Benoit Fischer, Audrey Fischer, Matthew J. O’Meara, Blandine Monel +18 more

Colloidal aggregators in biochemical SARS-CoV-2 repurposing screens

bioRxiv (Cold Spring Harbor Laboratory)(2021)10.1101/2021.08.31.458413

N/A

0DataRank · unranked

5 citations

Tia A. Tummino, Conner Bardine, Charles S. Craik, Brian K. Shoichet, Henry O’Donnell

Structure-based discovery of nonopioid analgesics acting through the α 2A -adrenergic receptor

Science(2022)10.1126/science.abn7065

N/A

0DataRank · unranked

154 citations

Jun Xu, Harald Hübner, João M. Bráz, Philipp Seemann, Charlotte Avet +19 more

Inactive and active state structures template selective tools for the human 5-HT5A receptor

Nature Structural & Molecular Biology(2022)10.1038/s41594-022-00796-6

N/A

0DataRank · unranked

29 citations

He Chen, Chengwei Zhang, Yang Ying, Petr Popov, Jing Liu +10 more

Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 Macrodomain of SARS-CoV-2

bioRxiv (Cold Spring Harbor Laboratory)(2022)10.1101/2022.06.27.497816

N/A

0DataRank · unranked

15 citations

G.J. Correy, M. Schuller, Matteo P. Ferla, Yagmur U. Doruk, Moira Rachman +17 more

Identification of a conserved drug binding pocket in TMEM16 proteins

Research Square(2022)10.21203/rs.3.rs-1296933/v1

N/A

0DataRank · unranked

10 citations

Shengjie Feng, Cristina Puchades, Juyeon Ko, Eric E. Figueroa, Yifei Chen +9 more

Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors

bioRxiv (Cold Spring Harbor Laboratory)(2022)10.1101/2022.07.05.498881

N/A

0DataRank · unranked

10 citations

Conner Bardine, Stefan Gahbauer, Isha Singh, Kris M. White, Shuo Gu +19 more

Profiling the proximal proteome of the mu opioid receptor identifies novel regulators of receptor signaling and trafficking

bioRxiv (Cold Spring Harbor Laboratory)(2022)10.1101/2022.03.28.486115

N/A

0DataRank · unranked

8 citations

Braden T. Lobingier, Emily E. Blythe, Nohely Abreu, Prachi Khare, Matthew K. Howard +12 more

Modeling the expansion of virtual screening libraries

ChemRxiv(2022)10.26434/chemrxiv-2022-6lv34

N/A

0DataRank · unranked

7 citations

John J. Irwin, Brian K. Shoichet, Jiankun Lyu

Modeling the expansion of virtual screening libraries

ChemRxiv(2022)10.26434/chemrxiv-2022-6lv34-v2

N/A

0DataRank · unranked

3 citations

John J. Irwin, Brian K. Shoichet, Jiankun Lyu

Modeling the expansion of virtual screening libraries

Nature Chemical Biology(2023)10.1038/s41589-022-01234-w

N/A

0DataRank · unranked

176 citations

John J. Irwin, Brian K. Shoichet, Jiankun Lyu

Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2

Proceedings of the National Academy of Sciences(2023)10.1073/pnas.2212931120

N/A

0DataRank · unranked

132 citations

G.J. Correy, M. Schuller, Matteo P. Ferla, Yagmur U. Doruk, Moira Rachman +17 more

Structure-based discovery of conformationally selective inhibitors of the serotonin transporter

Cell(2023)10.1016/j.cell.2023.04.010

N/A

0DataRank · unranked

97 citations

Anubha Seth, Christian B. Billesbølle, João M. Bráz, Ramona M. Rodriguiz, Kasturi Roy +16 more

Proteomic and genetic analyses of influenza A viruses identify pan-viral host targets

Nature Communications(2023)10.1038/s41467-023-41442-z

N/A

0DataRank · unranked

61 citations

Michael McGregor, Mehdi Bouhaddou, Benjamin J. Polacco, Eun‐Young Kim, Thông Nguyen +50 more

Structure-Based Discovery of Inhibitors of the SARS-CoV-2 Nsp14 N7-Methyltransferase

Journal of Medicinal Chemistry(2023)10.1021/acs.jmedchem.2c02120

N/A

0DataRank · unranked

48 citations

Fengling Li, Elissa A. Fink, Irene Chau, Alice Shi Ming Li, Annia Rodríguez‐Hernández +18 more

Large library docking for novel SARS‐CoV ‐2 main protease non‐covalent and covalent inhibitors

Protein Science(2023)10.1002/pro.4712

N/A

0DataRank · unranked

43 citations

Conner Bardine, Stefan Gahbauer, Isha Singh, Tyler C. Detomasi, Kris M. White +26 more

Docking for EP4R antagonists active against inflammatory pain

Nature Communications(2023)10.1038/s41467-023-43506-6

N/A

0DataRank · unranked

39 citations

Chelsea DeLeon, João Braz, Veronica Craik, Hye Jin Kang, Xiaobo Wan +14 more

Identification of a drug binding pocket in TMEM16F calcium-activated ion channel and lipid scramblase

Nature Communications(2023)10.1038/s41467-023-40410-x

N/A

0DataRank · unranked

35 citations

Cristina Puchades, Juyeon Ko, Hao Wu, Yifei Chen, Eric E. Figueroa +10 more

Fluorogenic reporter enables identification of compounds that inhibit SARS-CoV-2

Nature Microbiology(2023)10.1038/s41564-022-01288-5

N/A

0DataRank · unranked

17 citations

Yinghong Xiao, Peter V. Lidsky, Chien-Ting Wu, Luke R. Bonser, Shiming Peng +15 more

AlphaFold2 structures template ligand discovery

bioRxiv (Cold Spring Harbor Laboratory)(2023)10.1101/2023.12.20.572662

N/A

0DataRank · unranked

19 citations

Nicholas J. Kapolka, Ryan H. Gumpper, Assaf Alon, Liang Wang, Manish K. Jain +15 more

Preparing for the next pandemic

Science(2023)10.1126/science.adk5868

N/A

0DataRank · unranked

13 citations

Charles S. Craik, Brian K. Shoichet

Large library docking for cannabinoid-1 receptor agonists with reduced side effects

bioRxiv (Cold Spring Harbor Laboratory)(2023)10.1101/2023.02.27.530254

N/A

0DataRank · unranked

12 citations

Christos Iliopoulos‐Tsoutsouvas, João M. Bráz, Evan S. O’Brien, Reed M. Stein, Veronica Craik +23 more

Colloidal aggregation confounds cell-based Covid-19 antiviral screens

bioRxiv (Cold Spring Harbor Laboratory)(2023)10.1101/2023.10.27.564435

N/A

0DataRank · unranked

4 citations

Lauren N. Hall, Mir M. Khalid, Mélanie Ott, Brian K. Shoichet, Isabella Glenn

Small vs. Large Library Docking for Positive Allosteric Modulators of the Calcium Sensing Receptor

bioRxiv (Cold Spring Harbor Laboratory)(2023)10.1101/2023.12.27.573448

N/A

0DataRank · unranked

4 citations

Cheng-Guo Wu, Chia‐Ling Tu, Isabella Glenn, Justin Meyerowitz, Anat Levit Kaplan +9 more

Structure-based discovery of inhibitors of the SARS-CoV-2 Nsp14 N7 -methyltransferase

bioRxiv (Cold Spring Harbor Laboratory)(2023)10.1101/2023.01.12.523677

N/A

0DataRank · unranked

2 citations

Fengling Li, Elissa A. Fink, Irene Chau, Alice Li, Annia Rodríguez‐Hernández +18 more

AlphaFold2 structures guide prospective ligand discovery

Science(2024)10.1126/science.adn6354

N/A

0DataRank · unranked

145 citations

Nicholas J. Kapolka, Ryan H. Gumpper, Assaf Alon, Liang Wang, Manish K. Jain +16 more

Large library docking identifies positive allosteric modulators of the calcium-sensing receptor

Science(2024)10.1126/science.ado1868

N/A

0DataRank · unranked

45 citations

Cheng-Guo Wu, Chia‐Ling Tu, Isabella Glenn, Justin Meyerowitz, Anat Levit +9 more

Profiling the proximal proteome of the activated μ-opioid receptor

Nature Chemical Biology(2024)10.1038/s41589-024-01588-3

N/A

0DataRank · unranked

34 citations

Braden T. Lobingier, Emily E. Blythe, Nohely Abreu, Prachi Khare, Matthew K. Howard +12 more

Structure-based discovery of CFTR potentiators and inhibitors

Cell(2024)10.1016/j.cell.2024.04.046

N/A

0DataRank · unranked

32 citations

Anat Levit Kaplan, Jesper Levring, Jürgen Einsiedel, Stephanie Tiedt, Katharina Distler +9 more

Colloidal Aggregation Confounds Cell-Based Covid-19 Antiviral Screens

Journal of Medicinal Chemistry(2024)10.1021/acs.jmedchem.4c00597

N/A

0DataRank · unranked

18 citations

Lauren N. Hall, Mir M. Khalid, Mélanie Ott, Brian K. Shoichet, Isabella Glenn

Identifying Artifacts from Large Library Docking

Journal of Medicinal Chemistry(2024)10.1021/acs.jmedchem.4c01632

N/A

0DataRank · unranked

15 citations

Fangyu Liu, Isabella Glenn, Karla Fonseca-Valencia, Lu Paris, Yuyue Xiong +4 more

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

Structure-based discovery of nonopioid analgesics acting through the α2A-adrenergic receptor

UNC Libraries(2024)10.17615/8n1x-g087

N/A

0DataRank · unranked

5 citations

Chakrapani Kalyanaraman, J.J Irwin, Allan I. Basbaum, Yurii S. Moroz, Stefan Gahbauer +19 more

Ligand recognition and allosteric modulation of the human MRGPRX1 receptor

UNC Libraries(2024)10.17615/db9p-0f56

N/A

0DataRank · unranked

1 citations

John F. Fay, Yushi Liu, B.E Krumm, Bryan L. Roth, Can Cao +6 more

The impact of Library Size and Scale of Testing on Virtual Screening

bioRxiv (Cold Spring Harbor Laboratory)(2024)10.1101/2024.07.08.602536

N/A

0DataRank · unranked

7 citations

Olivier Mailhot, Isabella Glenn, Seth F. Vigneron, Violla Bassim, Xinyu Xu +8 more

Extensive exploration of structure activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment merging and active learning

bioRxiv (Cold Spring Harbor Laboratory)(2024)10.1101/2024.08.25.609621

N/A

0DataRank · unranked

9 citations

Moira Rachman, Takaya Togo, Stefan Gahbauer, Yagmur U. Doruk, Maisie GV Stevens +12 more

Large library docking and biophysical analysis of small molecule TMPRSS2 inhibitors

ChemRxiv(2024)10.26434/chemrxiv-2024-v1sc1

N/A

0DataRank · unranked

1 citations

Nicholas Young, Brian J. Bender, Stefan Gahbauer, Olzhas Ilyassov, R Wilson +10 more

Structure-based discovery of conformationally selective inhibitors of the serotonin transporter

UNC Libraries(2024)10.17615/xxye-0e30

N/A

0DataRank · unranked

0 citations

Parnian Lak, A. K. Seth, Gary Rudnick, Kasturi Roy, Juliana de Vasconcelos Cerqueira Braz +16 more

Structure, function and pharmacology of human itch GPCRs

UNC Libraries(2024)10.17615/k9nq-1w91

N/A

0DataRank · unranked

0 citations

Yuxuan Liu, Wesley K. Kroeze, J.D McCorvy, John F. Fay, Hanyu Chen +24 more

The impact of library size and scale of testing on virtual screening

Nature Chemical Biology(2025)10.1038/s41589-024-01797-w

N/A

0DataRank · unranked

42 citations

Olivier Mailhot, Isabella Glenn, Seth F. Vigneron, Violla Bassim, Xinyu Xu +8 more

Virtual library docking for cannabinoid-1 receptor agonists with reduced side effects

Nature Communications(2025)10.1038/s41467-025-57136-7

N/A

0DataRank · unranked

13 citations

Christos Iliopoulos‐Tsoutsouvas, João Braz, Evan S. O’Brien, Reed M. Stein, Veronica Craik +23 more

Large Library Docking and Biophysical Analysis of Small-Molecule TMPRSS2 Inhibitors

Journal of Medicinal Chemistry(2025)10.1021/acs.jmedchem.4c03089

N/A

0DataRank · unranked

2 citations

Nicholas J. Young, Brian J. Bender, Stefan Gahbauer, Olzhas Ilyassov, Ryan P. Wilson +10 more

The Mac1 ADP-ribosylhydrolase is a therapeutic target for SARS-CoV-2

eLife(2025)10.7554/elife.103484.3

N/A

0DataRank · unranked

1 citations

Priyadarshini Jaishankar, G.J. Correy, Moira Rachman, Patrick C. O’Leary, Taha Y. Taha +26 more

The Mac1 ADP-ribosylhydrolase is a therapeutic target for SARS-CoV-2

eLife(2025)10.7554/elife.103484

N/A

0DataRank · unranked

7 citations

Priyadarshini Jaishankar, G.J. Correy, Moira Rachman, Patrick C. O’Leary, Taha Y. Taha +26 more

Large scale prospective evaluation of co-folding across 557 Mac1-ligand complexes and three virtual screens

bioRxiv (Cold Spring Harbor Laboratory)(2025)10.64898/2025.12.25.696505

N/A

0DataRank · unranked

5 citations

G.J. Correy, Brendan W. Hall, Moira Rachman, Olivier Mailhot, Takaya Togo +15 more

Discovery of AVI-6451, a Potent and Selective Inhibitor of the SARS-CoV-2 ADP-Ribosylhydrolase Mac1 with Oral Efficacy in vivo

bioRxiv (Cold Spring Harbor Laboratory)(2025)10.1101/2025.10.11.681833

N/A

0DataRank · unranked

3 citations

G.J. Correy, Yusuke Matsui, Takaya Togo, Moira Rachman, Maisie GV Stevens +14 more

Docking for EP4R antagonists active against inflammatory pain

UNC Libraries(2025)10.17615/545v-9x45

N/A

0DataRank · unranked

0 citations

Chelsea DeLeon, Bryan L. Roth, Brian K. Shoichet, Christian B. Billesbølle, Stefan Gahbauer +14 more

Correction to “Identifying Artifacts from Large Library Docking”

Journal of Medicinal Chemistry(2025)10.1021/acs.jmedchem.5c02764

N/A

0DataRank · unranked

0 citations

Fangyu Liu, Isabella Glenn, Karla Fonseca-Valencia, Lu Paris, Yi Xiong +5 more

A quantitative model of structure-based virtual screening performance

ChemRxiv(2025)10.26434/chemrxiv-2025-rn75p

N/A

0DataRank · unranked

0 citations

Brian K. Shoichet, Olivier Mailhot, Laust Moesgaard

Structure of a Hallucinogen-Activated Gq-Coupled 5-HT2A Serotonin Receptor

Cell(2020)10.1016/j.cell.2020.08.024

N/A

0DataRank · unranked

496 citations

Tao Che, Ouliana Panova, Jeffrey F. DiBerto, Jiankun Lyu, B. Krumm +8 more

The activities of drug inactive ingredients on biological targets

Science(2020)10.1126/science.aaz9906

N/A

0DataRank · unranked

88 citations

Duncan Armstrong, Ling Zou, Alexander Fekete, Xi‐Ping Huang, Hayarpi Torosyan +15 more