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Computer Simulations for Drug Discovery

October 20, 2016
9:40 am - 10:00 am
GRB 310 B-C

Track: Data Science
Type: Presentation
Level: Beginner/Intermediate

Molecular dynamics (MD) simulation is a computational tool that can provide insight into the function of biological systems, potentially contributing to the design of new drugs. We use a specialized supercomputer to simulate on timescales at which functionally relevant states are revealed. I will discuss our use of MD simulations to explore a membrane-bound ion channel as a potential drug target.


, Research Scientist, D. E. Shaw Research