John Irwin

John Irwin is an Adjunct Professor in the School of Pharmacy at the University of California, San Francisco, specializing in computational methods for drug discovery. His research focuses on molecular docking, virtual screening, and ligand discovery, with a strong emphasis on structure-based drug design and chemical informatics.

Irwin's work includes developing and applying tools like ZINC Database and DOCK Blaster for large-scale compound screening. He has contributed to understanding protein-ligand interactions in targets such as opioid receptors, CFTR, and SARS-CoV-2 proteins, advancing non-covalent and covalent drug development.

His publications (2025-2022) span Chemistry, Medical Informatics, and Computational Biology, with key subfields: GPCR Modulation, Neurodegenerative Disease Targets, Virtual Screening Libraries, Protein Structure Analysis, Pharmacology, and Drug Repurposing.

Irwin collaborates extensively with researchers in Pharmaceutical Chemistry and Structural Biology, and his projects often involve NIH-funded grants (R01GM133836, R01GM071896).