Abba Leffler

About Abba Leffler

Abba E. Leffler, Ph.D., is a Principal Scientist in the Drug Discovery group at Schrödinger, a company based in New York City that specializes in molecular modeling and computational chemistry. His work focuses on the design and optimization of small-molecule drugs using computer-based methods.

Leffler earned his undergraduate degree from Princeton University, where he studied chemistry and also completed a certificate in applied mathematics. After graduating, he joined D. E. Shaw Research, where he worked on high-performance simulations of molecular systems. He later earned his Ph.D. in Neuroscience from the NYU School of Medicine, where he studied how the brain processes information at the molecular level.

At Schrödinger, Leffler works on early-stage drug discovery. He uses physics-based simulations and experimental data to help predict how molecules interact with biological targets. His research includes work on ion channels, allosteric sites, and cryptic binding pockets. He has contributed to the development of tools that help scientists explore chemical space and design new compounds.

Leffler has published research in journals such as Science, PNAS, The Journal of Neuroscience, and PLOS Computational Biology. His most cited work includes studies on voltage-gated potassium channels and peptide ligands for nicotinic receptors. He is also listed as an inventor on several patents related to therapeutic compounds.

His work brings together chemistry, biology, and computational methods to support drug development efforts. He continues to contribute to both scientific research and practical applications in drug discovery.