Arieh Warshel

This paper introduces PAM-DB, a structural database mapping activation trajectories of drug targets, enabling improved drug design by incorporating dynamic conformational data.

This study designs high-fidelity CRISPR-Cas variants using a physics-driven approach combining molecular dynamics and protein language models, achieving significant improvements in fidelity with minimal experimental validation.

This study uses generative modeling and biochemistry to improve luciferase activity and stability by engineering its active center and scaffold, achieving a 50% success rate for single mutants.

This paper reviews how generative AI can be used to analyze enzyme sequences, predict mutation effects, and improve enzyme engineering by uncovering functional patterns and evolutionary relationships.