Manipal-Schrodinger Centre for molecular simulations organized interaction with Dr. Thomas, Senior Director, Applications Science, Europe, Schrödinger

June 27, 2022


Dr. Thomas, Senior Director, Applications Science, Schrödinger-Europe, shared his views and interacted with faculty members and research scholars of MAHE and MCOPS on 27 June 2022 at 10.00 am in Prof PGR Conference Hall, MCOPS on the topic "From Ideas to Medicines - Discovery of clinical candidates with an ML-driven physics-based technology platform". With the advent of established physics-based modeling, make-on-demand commercial libraries as well as generative ML models, the number of purchasable or synthesizable compounds available for virtual screening and lead-optimization has grown explosively in recent years. The Schrödinger molecular design platform covers methods ranging from ultra-fast, approximate approaches through a range of AI-enhanced physics-based in-silico simulation methods to advanced ligand docking approaches to tailor for a given project. The interaction focussed on presenting summary results across a number of discovery programs and their recent advances.