Hi, I’m Abba Leffler. I’m a Principal Scientist in the Drug Discovery group at Schrödinger, where I focus on designing and optimizing small-molecule therapeutics. My work sits at the intersection of chemistry, computation, and biology—essentially, I use physics-based modeling and experimental insights to help identify promising drug candidates with real-world potential.

I started my academic journey at Princeton, where I earned an A.B. in Chemistry along with a Certificate in Applied Mathematics. That mathematical foundation has shaped how I think about complex biological systems. After Princeton, I worked at D. E. Shaw Research, which was a great experience—being immersed in high-performance molecular simulations and working alongside brilliant people who were pushing the boundaries of computational chemistry.

I then pursued a Ph.D. in Neuroscience at the NYU School of Medicine, where my research focused on how the brain processes information at the molecular and cellular level. That experience helped me build a deeper understanding of biological systems and how molecular interactions influence human health.

Along the way, I’ve had the opportunity to publish in journals like Science, PNAS, The Journal of Neuroscience, and JCIM, and I’m also listed as an inventor on several patents. I enjoy research that doesn’t just live on the page, but that drives discovery forward and can translate into meaningful therapies.

These days, my focus is on early-stage drug discovery—thinking deeply about molecular interactions, running simulations, testing ideas in the lab, and collaborating across disciplines. I love the challenge of integrating computational insights with biological complexity, and I’m especially excited by how rapidly this space is evolving with the help of AI and better modeling tools.

Outside of work, I’m always curious—whether it’s learning something new, diving into a technical paper, or just exploring how different systems (natural or artificial) work. Science, for me, is a creative process grounded in precision. That’s what keeps it endlessly fascinating.