Brian Shoichet

80PUBLICATIONS
480CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsBiomolecular modelling and designBiologically active moleculesGene and molecular therapyCentral nervous system
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Publications (80)

|Aug 29, 2026
Chemical Distance-Based Acceleration of Large Library Docking with ChemSTEP.

|Jul 08, 2026
Modeling the Sensitivity of Large-Scale Virtual Screening to Scoring Function Accuracy, Artifacts, and Library Composition.

|Jul 03, 2026
Library Docking for Cannabinoid-2 Receptor Ligands.

|May 08, 2026
The Selectivity Implications of Docking Libraries with Greater and Lesser Similarities to Bio-like Molecules.

|Apr 06, 2026
Drug-Induced Phospholipidosis as an Artifact in Antiviral Drug Repurposing.

Isabella S Glenn, Lu Paris, Alex D White

|Feb 19, 2026
Large Library Docking for Polypharmacology.

Yujin Wu, Seth Vigneron, Joao Braz

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Frequent Collaborators

16 joint publications

John J Irwin

14 joint publications

Bryan L Roth

12 joint publications

Yurii S Moroz

11 joint publications

Nevan J Krogan