World's Best Scientists 2026 revealed!

D-Index & Metrics

Chemistry

D-Index
121
Citations
68022
World Ranking
468
National Ranking
201

Biology and Biochemistry

D-Index
121
Citations
68304
World Ranking
598
National Ranking
383

Overview

Brian K. Shoichet is affiliated with the University of California, San Francisco in the United States. Their research spans multiple disciplines primarily within biochemistry, genetics, and molecular biology. A significant number of their publications focus on molecular biology, computational theory and mathematics, organic chemistry, infectious diseases, and cellular and molecular neuroscience.

Their work covers a range of specialized topics, including:

  • Computational Drug Discovery Methods
  • Receptor Mechanisms and Signaling
  • Protein Structure and Dynamics
  • SARS-CoV-2 and COVID-19 Research
  • Pharmacological Receptor Mechanisms and Effects
  • Chemical Synthesis and Analysis
  • Click Chemistry and Applications

Brian K. Shoichet has contributed to several recent scientific papers that highlight their involvement in studies related to SARS-CoV-2 as well as computational methods in drug discovery and receptor biology. Notable papers include:

  • The Global Phosphorylation Landscape of SARS-CoV-2 Infection (2020), published in Cell
  • A practical guide to large-scale docking (2021), published in Nature Protocols
  • A SARS-CoV-2-Human Protein-Protein Interaction Map Reveals Drug Targets and Potential Drug-Repurposing (2020), published in bioRxiv (Cold Spring Harbor Laboratory)
  • Structure of a Hallucinogen-Activated Gq-Coupled 5-HT2A Serotonin Receptor (2020), published in Cell
  • Efficient Exploration of Chemical Space with Docking and Deep Learning (2021), published in Journal of Chemical Theory and Computation

The scientist frequently collaborates with several coauthors who have contributed to many joint publications, including John J. Irwin, Bryan L. Roth, Yurii S. Moroz, Stefan Gahbauer, and Xi-Ping Huang.

Their publications are often found in the following venues:

  • bioRxiv (Cold Spring Harbor Laboratory)
  • UNC Libraries
  • Journal of Medicinal Chemistry
  • Science
  • Nature Chemical Biology

Best Publications

  • A SARS-CoV-2 protein interaction map reveals targets for drug repurposing.

    David E. Gordon;Gwendolyn M. Jang;Mehdi Bouhaddou;Jiewei Xu

  • ZINC - A Free Database of Commercially Available Compounds for Virtual Screening

    John J. Irwin;Brian K. Shoichet

  • Relating protein pharmacology by ligand chemistry

    Michael J. Keiser;Bryan L. Roth;Bryan L. Roth;Blaine N. Armbruster;Paul R Ernsberger

  • Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking

    Michael M. Mysinger;Michael Carchia;John. J. Irwin;Brian K. Shoichet

  • Predicting new molecular targets for known drugs

    Michael J. Keiser;Vincent Setola;John J. Irwin;Christian Laggner

  • Virtual screening of chemical libraries.

    Brian K. Shoichet

  • Benchmarking sets for molecular docking.

    Niu Huang;Brian K. Shoichet;John J. Irwin

  • Automated docking with grid-based energy evaluation

    Elaine C. Meng;Brian K. Shoichet;Irwin D. Kuntz

  • A Common Mechanism Underlying Promiscuous Inhibitors from Virtual and High-Throughput Screening

    Susan Lynne McGovern;Emilia Caselli;Emilia Caselli;Nikolaus Grigorieff;Brian K. Shoichet

  • The Global Phosphorylation Landscape of SARS-CoV-2 Infection.

    Mehdi Bouhaddou;Danish Memon;Bjoern Meyer;Kris M. White

  • Structure-based discovery of opioid analgesics with reduced side effects

    Aashish Manglik;Henry Lin;Dipendra K. Aryal;John D. McCorvy

  • Large-scale prediction and testing of drug activity on side-effect targets

    Eugen Lounkine;Michael J. Keiser;Steven Whitebread;Dmitri Mikhailov

  • Ultra-large library docking for discovering new chemotypes

    Jiankun Lyu;Sheng Wang;Trent E. Balius;Isha Singh

  • A relationship between protein stability and protein function.

    Brian K. Shoichet;Walter A. Baase;Ryota Kuroki;Brian W. Matthews

  • The promise and peril of chemical probes.

    Cheryl H. Arrowsmith;James E. Audia;Christopher Austin;Jonathan Baell

  • Prediction of protein-ligand interactions. Docking and scoring: successes and gaps.

    Andrew R Leach;Brian K Shoichet;Catherine E Peishoff

  • A specific mechanism of nonspecific inhibition.

    Susan Lynne McGovern;Brian T. Helfand;Brian Feng;Brian K. Shoichet

  • Comparative host-coronavirus protein interaction networks reveal pan-viral disease mechanisms.

    David E. Gordon;Joseph Hiatt;Mehdi Bouhaddou;Veronica V. Rezelj

  • Molecular Docking and High-Throughput Screening for Novel Inhibitors of Protein Tyrosine Phosphatase-1B

    Thompson N. Doman;Susan L. McGovern;Bryan J. Witherbee;Thomas P. Kasten

  • Lead discovery using molecular docking

    Brian K. Shoichet;Susan Lynne McGovern;Binqing Wei;John J. Irwin

Frequent Co-Authors

Bryan L. Roth
Bryan L. Roth University of North Carolina at Chapel Hill
Andrej Sali
Andrej Sali University of California, San Francisco
Frank M. Raushel
Frank M. Raushel Texas A&M University
Ken A. Dill
Ken A. Dill Stony Brook University
Xi Ping Huang
Xi Ping Huang University of North Carolina at Chapel Hill
Brian K. Kobilka
Brian K. Kobilka Stanford University
Irwin D. Kuntz
Irwin D. Kuntz University of California, San Francisco
Molly S. Shoichet
Molly S. Shoichet University of Toronto
Laszlo Urban
Laszlo Urban Novartis (Switzerland)
Richard Bonnet
Richard Bonnet University of Clermont Auvergne

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