Brian Shoichet

83PUBLICATIONS
488CO-AUTHORS
Toxicology (incl. clinical toxicology)Biomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsBiologically active moleculesGene and molecular therapy
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Publications (83)

|Oct 18, 2026
Structure based discovery of antipsychotic-like TAAR1 agonists.

|Oct 12, 2026
Large-scale prospective evaluation of co-folding across hundreds of Mac1-ligand complexes and three virtual screens.

|Sep 16, 2026
Development of a random background to understand ligand optimization.

|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.

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Frequent Collaborators

17 joint publications

John J Irwin

15 joint publications

Bryan L Roth

14 joint publications

Yurii S Moroz

13 joint publications

James S Fraser