When Proteins Move: Woody Sherman on Computational Chemistry, Molecular Simulation, and the Future of AI in Drug Discovery

Check out the next episode of our podcast, Under the Surface. In episode 16, When Proteins Move: Woody Sherman on Computational Chemistry, Molecular Simulation, and the Future of AI in Drug Discovery, we chat with Woody Sherman, Founder and Chief Innovation Officer at PsiThera, and a longtime leader in computational chemistry, about how he went from studying quantum polymers to shaping modern tools like Induced Fit Docking. 

Woody shares the moment that pulled him into protein simulations, his early exposure to AI at MIT, and how an internship at Biogen set him on the path to industry. He also reflects on his years at Schrödinger, building solutions, writing code, and learning how to solve real problems for scientists.

Topics:

• How application scientists help connect research with real-world industry needs

• Woody's journey from university research to starting Silicon Therapeutics

• How tools like induced fit docking were created

• How drug discovery platforms have changed over time

• What's different between working in industry and in academia

• What's next for open molecular software and AI working together

(02:05) Why mentorship matters for scientists

(04:15) Woody's path through school and research

(09:10) Shifting into custom molecular simulations

(12:00) Going from the academic world to industry

(15:00) Creating new tools for drug discovery at Schrodinger

(22:10) Putting together a team of experts

(26:15) Working together on drug design platforms

(34:00) Leading application science teams around the world

(41:45) Starting up Silicon Therapeutics

(45:58) Progress in the development of the STING agonist medicine

(49:00) Launching PsiThera

(56:30) Focusing on inflammation and the immune system

(60:15) Sharing science and data openly

(69:00) How AI will shape the future of drug discovery

(80:30) What Woody enjoys outside of work

(82:20) Final thoughts and getting involved with the community

Listener discretion is advised.