DDIF 2025
Date & Time - September 10th-11th, 2025
Location - Barcelona, Spain
Schrödinger is excited to be participating in the Drug Discovery Innovation Forum conference taking place on September 10th – 11th in Barcelona, Spain. Join us for a presentation by Aleksey Gerasyuto, Senior Vice President, Drug Discovery at Schrödinger, titled “Predict-first: Where physics and AI/ML shape the future of drug discovery.” Stop by booth #11 to speak with Schrödinger scientists.
SEPT 10 | 11:50 – 12:10 Predict-first: Where physics and AI/ML shape the future of drug discovery
Speaker:
Aleksey Gerasyuto, Senior Vice President, Drug Discovery, Schrödinger
Abstract:
Advances in computational methods, breakthroughs in structural biology, and the exponential growth of computing power are transforming drug discovery into a predictive science. This presentation will highlight how accurate physics-based approaches, integrated with AI/ML methods, can accelerate and guide real-world discovery programs. Case studies will illustrate rapid in silico driven optimization of key drug properties including potency, selectivity and brain penetration, along with structure-based strategies to mitigating the key off-target liabilities, such as hERG.
Our Speaker
Aleksey Gerasyuto
Senior Vice President, Drug Discovery, Schrödinger
Aleksey Gerasyuto is a medicinal chemistry leader with deep expertise in computationally driven drug discovery. He champions “Predict-First” approach, integrating modern physics-based and AI/ML methods to accelerate and guide medicinal chemistry campaigns. At Schrödinger, Aleksey leads the Medicinal Chemistry, CMC and Toxicology teams, and co-leads the strategic oversight and execution of the company’s proprietary and collaborative discovery portfolio. Prior to joining Schrödinger, Aleksey held roles of increasing responsibilities at PTC Therapeutics, where he led and contributed to programs in RNA splicing, antibacterial discovery and oncology. His work has contributed to the discovery of multiple clinical candidates, including: PTC518 for Huntington’s disease (Phase 2), MORF-057 for IBD (Phase 2), SGR-3515 for solid tumors (Phase 1), LOXO-783 for breast cancer and other tumors (Phase 1). Aleksey earned his Ph.D. from the University of Wisconsin–Madison and his B.S./M.S. from the Higher Chemical College of the Russian Academy of Sciences.