Brian K. Shoichet

412 total papers · 53.6k total citations
260 papers, 36.2k citations indexed

About

Brian K. Shoichet is a scholar working on Molecular Biology, Computational Theory and Mathematics and Materials Chemistry. According to data from OpenAlex, Brian K. Shoichet has authored 260 papers receiving a total of 36.2k indexed citations (citations by other indexed papers that have themselves been cited), including 187 papers in Molecular Biology, 92 papers in Computational Theory and Mathematics and 49 papers in Materials Chemistry. Recurrent topics in Brian K. Shoichet's work include Computational Drug Discovery Methods (92 papers), Antibiotic Resistance in Bacteria (46 papers) and Protein Structure and Dynamics (44 papers). Brian K. Shoichet is often cited by papers focused on Computational Drug Discovery Methods (92 papers), Antibiotic Resistance in Bacteria (46 papers) and Protein Structure and Dynamics (44 papers). Brian K. Shoichet collaborates with scholars based in United States, Canada and Italy. Brian K. Shoichet's co-authors include John J. Irwin, Irwin D. Kuntz, Susan L. McGovern, Bryan L. Roth, Michael M. Mysinger, Michael J. Keiser, Brian Y. Feng, Niu Huang, Elaine C. Meng and Emilia Caselli and has published in prestigious journals such as Nature, Science and Cell.

In The Last Decade

Brian K. Shoichet

255 papers receiving 35.4k citations

Hit Papers

ZINC − A Free Database of... 1992 2026 2003 2014 2004 2012 2007 2009 2004 1000 2.0k 3.0k
What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation benchmark for papers published in the same subfield and year, or reaches the top citation threshold in at least one of its specific research topics.

  1. ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
    2004 3.1k citations John J. Irwin, Brian K. Shoichet Journal of Chemical Information and Modeling profile →
  2. Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking
    2012 1.6k citations Michael M. Mysinger, John J. Irwin et al. Journal of Medicinal Chemistry profile →
  3. Relating protein pharmacology by ligand chemistry
    2007 1.6k citations Michael J. Keiser, Bryan L. Roth et al. Nature Biotechnology profile →
  4. Predicting new molecular targets for known drugs
    2009 1.2k citations Michael J. Keiser, Vincent Setola et al. Nature profile →
  5. Virtual screening of chemical libraries
    2004 1.0k citations Brian K. Shoichet Nature profile →
  6. Benchmarking Sets for Molecular Docking
    2006 1.0k citations Niu Huang, Brian K. Shoichet et al. Journal of Medicinal Chemistry profile →
  7. A Common Mechanism Underlying Promiscuous Inhibitors from Virtual and High-Throughput Screening
    2002 827 citations Susan L. McGovern, Emilia Caselli et al. Journal of Medicinal Chemistry profile →
  8. Automated docking with grid‐based energy evaluation
    1992 714 citations Elaine C. Meng, Brian K. Shoichet et al. Journal of Computational Chemistry profile →
  9. Structure-based discovery of opioid analgesics with reduced side effects
    2016 694 citations Aashish Manglik, Henry J. Lin et al. Nature profile →
  10. Large-scale prediction and testing of drug activity on side-effect targets
    2012 655 citations Eugen Lounkine, Michael J. Keiser et al. Nature profile →
  11. Ultra-large library docking for discovering new chemotypes
    2019 611 citations Jiankun Lyu, Sheng Wang et al. Nature profile →
  12. Prediction of Protein−Ligand Interactions. Docking and Scoring:  Successes and Gaps
    2006 504 citations Andrew R. Leach, Brian K. Shoichet et al. Journal of Medicinal Chemistry profile →
  13. An Aggregation Advisor for Ligand Discovery
    2015 328 citations John J. Irwin, Da Duan et al. Journal of Medicinal Chemistry profile →
  14. Structure of the D2 dopamine receptor bound to the atypical antipsychotic drug risperidone
    2018 326 citations Sheng Wang, Tao Che et al. Nature profile →
  15. A practical guide to large-scale docking
    2021 306 citations Brian J. Bender, Stefan Gahbauer et al. Nature Protocols profile →
  16. Structure of a Hallucinogen-Activated Gq-Coupled 5-HT2A Serotonin Receptor
    2020 301 citations Kuglae Kim, Tao Che et al. Cell profile →
  17. Structure-based discovery of β 2 -adrenergic receptor ligands
    2009 238 citations Peter Kolb, Daniel M. Rosenbaum et al. Proceedings of the National Academy of Sciences profile →
  18. Structure-based drug screening for G-protein-coupled receptors
    2012 220 citations Brian K. Shoichet, Brian K. Kobilka Trends in Pharmacological Sciences profile →
  19. Efficient Exploration of Chemical Space with Docking and Deep Learning
    2021 210 citations Yang Ying, Kun Yao et al. Journal of Chemical Theory and Computation profile →
  20. Modeling the expansion of virtual screening libraries
    2023 94 citations Jiankun Lyu, John J. Irwin et al. Nature Chemical Biology profile →

Author Peers

Peers are selected by citation overlap in the author's most active subfields. citations · hero ref

Author Last Decade Papers Cites
Brian K. Shoichet 24.5k 15.6k 5.2k 4.7k 4.6k 260 36.2k
David S. Goodsell 27.5k 1.1× 10.5k 0.7× 10.6k 2.0× 4.1k 0.9× 4.1k 0.9× 290 46.6k
Junmei Wang 24.9k 1.0× 7.7k 0.5× 6.0k 1.1× 7.0k 1.5× 2.3k 0.5× 413 45.4k
Richard A. Friesner 32.1k 1.3× 13.3k 0.9× 11.9k 2.3× 10.1k 2.2× 3.9k 0.8× 367 61.4k
Garrett M. Morris 20.9k 0.9× 9.7k 0.6× 9.3k 1.8× 3.1k 0.7× 3.8k 0.8× 123 38.1k
Roman A. Laskowski 33.8k 1.4× 4.6k 0.3× 3.4k 0.7× 8.4k 1.8× 2.2k 0.5× 109 46.8k
Thomas E. Ferrin 35.2k 1.4× 4.6k 0.3× 4.6k 0.9× 5.5k 1.2× 2.3k 0.5× 93 54.9k
David E. Shaw 29.3k 1.2× 7.7k 0.5× 4.1k 0.8× 6.1k 1.3× 2.0k 0.4× 282 43.2k
Arthur J. Olson 44.1k 1.8× 18.6k 1.2× 18.6k 3.6× 6.2k 1.3× 7.7k 1.7× 208 79.6k
Thomas A. Halgren 17.5k 0.7× 9.3k 0.6× 8.2k 1.6× 4.7k 1.0× 3.1k 0.7× 65 33.4k
Helen M. Berman 37.4k 1.5× 7.5k 0.5× 4.0k 0.8× 10.3k 2.2× 2.1k 0.4× 247 49.7k

Countries citing papers authored by Brian K. Shoichet

Since Specialization
Citations

This map shows the geographic impact of Brian K. Shoichet's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Brian K. Shoichet with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Brian K. Shoichet more than expected).

Fields of papers citing papers by Brian K. Shoichet

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Brian K. Shoichet. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Brian K. Shoichet. The network helps show where Brian K. Shoichet may publish in the future.

Co-authorship network of co-authors of Brian K. Shoichet

This figure shows the co-authorship network connecting the top 25 collaborators of Brian K. Shoichet. A scholar is included among the top collaborators of Brian K. Shoichet based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Brian K. Shoichet. Brian K. Shoichet is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

Loading papers...

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

Explore authors with similar magnitude of impact

Breakdown of academic impact, for papers by Jesse A. Berlin Breakdown of academic impact, for papers by Xiaoou Tang Breakdown of academic impact, for papers by Reinhold Förster Breakdown of academic impact, for papers by Michael B. Johnston Breakdown of academic impact, for papers by Sherif F. Nagueh Breakdown of academic impact, for papers by Andrew W. Murray Breakdown of academic impact, for papers by Donald E. Knuth Breakdown of academic impact, for papers by Sharon M. Wahl
Rankless by CCL
2026