Standout Papers

ZINC − A Free Database of Commercially Available Compounds for Virtual Screening 2004 2026 2011 2018 3.0k
  1. ZINC − A Free Database of Commercially Available Compounds for Virtual Screening (2004)
    John J. Irwin, Brian K. Shoichet Journal of Chemical Information and Modeling
  2. ZINC 15 – Ligand Discovery for Everyone (2015)
    Teague Sterling, John J. Irwin Journal of Chemical Information and Modeling
  3. ZINC: A Free Tool to Discover Chemistry for Biology (2012)
    John J. Irwin, Teague Sterling et al. Journal of Chemical Information and Modeling
  4. Relating protein pharmacology by ligand chemistry (2007)
    Michael J. Keiser, Bryan L. Roth et al. Nature Biotechnology
  5. Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking (2012)
    Michael M. Mysinger, John J. Irwin et al. Journal of Medicinal Chemistry
  6. Predicting new molecular targets for known drugs (2009)
    Michael J. Keiser, Vincent Setola et al. Nature
  7. Benchmarking Sets for Molecular Docking (2006)
    Niu Huang, Brian K. Shoichet et al. Journal of Medicinal Chemistry
  8. Ultra-large library docking for discovering new chemotypes (2019)
    Jiankun Lyu, Sheng Wang et al. Nature
  9. ZINC20—A Free Ultralarge-Scale Chemical Database for Ligand Discovery (2020)
    John J. Irwin, Khanh Tang et al. Journal of Chemical Information and Modeling
  10. An Aggregation Advisor for Ligand Discovery (2015)
    John J. Irwin, Da Duan et al. Journal of Medicinal Chemistry
  11. A practical guide to large-scale docking (2021)
    Brian J. Bender, Stefan Gahbauer et al. Nature Protocols
  12. Structure-based discovery of β 2 -adrenergic receptor ligands (2009)
    Peter Kolb, Daniel M. Rosenbaum et al. Proceedings of the National Academy of Sciences
  13. ZINC-22─A Free Multi-Billion-Scale Database of Tangible Compounds for Ligand Discovery (2023)
    Khanh Tang, Yurii S. Moroz et al. Journal of Chemical Information and Modeling
  14. Modeling the expansion of virtual screening libraries (2023)
    Jiankun Lyu, John J. Irwin et al. Nature Chemical Biology

Immediate Impact

26 by Nobel laureates 40 from Science/Nature 106 standout
Sub-graph 1 of 18

Citing Papers

Computational design of soluble and functional membrane protein analogues
2024 StandoutNatureNobel
Expanding chemistry through in vitro and in vivo biocatalysis
2024 StandoutNature
4 intermediate papers

Works of John J. Irwin being referenced

Increasing Chemical Space Coverage by Combining Empirical and Computational Fragment Screens
2014
Quantifying biogenic bias in screening libraries
2009
and 5 more

Author Peers

Author Last Decade Papers Cites
John J. Irwin 12892 10864 2706 87 19.3k
John P. Overington 11434 6697 1451 95 16.1k
Woody Sherman 9955 5373 3039 98 16.2k
Robert B. Murphy 12680 6598 5453 39 22.3k
Andrew R. Leach 8761 6574 2582 82 14.2k
Michel F. Sanner 13452 5840 5727 45 24.2k
Robert C. Glen 8071 5852 2536 194 14.1k
Tudor I. Oprea 9155 6422 2243 240 17.9k
Thomas A. Halgren 17226 9008 8061 64 32.7k
Irwin D. Kuntz 15197 6977 3225 224 22.0k
Richard K. Belew 15168 6796 7373 48 28.6k

All Works

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Rankless by CCL
2026