UCSF

Tagged: Molecular Docking Simulation

Ajay Jain, PhD

Jain
Professor In Residence

My research focuses on computational methods for improving drug discovery. I was formally trained as a computer scientist and made a transition from applied defense research to the biomedical arena in a series of Bay Area startups.

Brian Shoichet, PhD

Shoichet
Professor

Our lab develops new methods for drug discovery, adopting two strategies to do so. On the one hand, we reduce biology to its molecular components, and seek to change how these fit together using synthetic molecules we design. On the other hand, we investigate how the biological molecules operate together, both in health and disease. Both processes involve intensive modeling and close collaboration between theory and experiment.

Matt Jacobson, PhD

Jacobson
Professor and Department Chair

Research in my lab focuses on atomic-level mechanisms of protein regulation, protein-ligand interactions, and computer-aided drug design. My approach is to employ physics-based energy models for predictive protein modeling. Projects in my lab combine algorithm development and biological applications.