Author

Shuo Gu

University of California, San FranciscoORCID 0000-0002-5895-6924Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Bioinformatics· 1

Signature Assays, Organisms & Methods

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Research Focus:drug response / drug discovery· 1 Approach:statistical model· 1

Frequent Co-Authors

Brian K. ShoichetiD· 1 shared John J. IrwiniD· 1 shared Matthew S. SmithiD· 1 shared Yang YingiD· 1 shared

Activity by Year

2021-2021 · peak 1/yr

Co-Author Collaboration Network

4 top collaborators · 6 mutual co-author links

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1 shared paperBioinformatics

Brian K. ShoichetORCID

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1 paper

Recent·Most cited

Ligand Strain Energy in Large Library Docking

Shuo Gu, Matthew S. Smith, Yang Ying, John J. Irwin, Brian K. Shoichet

This paper introduces a method to calculate ligand strain energy using torsional populations from the Cambridge Structural Database, improving docking hit rates by filtering strained decoys.

Journal of Chemical Information and Modeling · Sep 1, 2021Peer-reviewedBioinformatics