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John J. Irwin | Researchclopedia

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John J. Irwin

University of California, San Francisco ORCID

207

Works

29,638

Citations

58

h-index

101

i10-index

Research Topics

Computational Drug Discovery Methods Chemical Synthesis and Analysis Receptor Mechanisms and Signaling

Affiliations

QB32009–2013

Northwestern University2002–2003

University of North Carolina at Chapel Hill2020–2020

Research Triangle Park Foundation1998–1998

University of New Mexico2008–2008

Top Works

ZINC − A Free Database of Commercially Available Compounds for Virtual Screening

John J. Irwin,Brian K. Shoichet

20044,028 citations

Protein Structure and Dynamics

Click Chemistry and Applications

ZINC 15 – Ligand Discovery for Everyone

Teague Sterling,John J. Irwin

20153,327 citations

ZINC: A Free Tool to Discover Chemistry for Biology

John J. Irwin,Teague Sterling,et al.

20122,530 citations

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

Michael M. Mysinger,Michael Carchia,et al.

20122,340 citations

Relating protein pharmacology by ligand chemistry

Michael J. Keiser,Bryan L. Roth,et al.

20072,334 citations

Predicting new molecular targets for known drugs

Michael J. Keiser,Vincent Setola,et al.

20091,683 citations

Benchmarking Sets for Molecular Docking

Niu Huang,Brian K. Shoichet,et al.

20061,311 citations

ZINC20—A Free Ultralarge-Scale Chemical Database for Ligand Discovery

John J. Irwin,Khanh Tang,et al.

2020971 citations

Ultra-large library docking for discovering new chemotypes

Jiankun Lyu,Sheng Wang,et al.

2019962 citations