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Accurate Physics-Based Models for Biomolecular Simulations

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

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

Molecular dynamics (MD) simulation, a computational tool that provides insight into the properties of biological systems, is a promising approach to drug discovery. MD simulation relies on biomolecular “force fields,” which are physics-based models for describing interactions within and among molecules. I will discuss our development of a very accurate force field for intramolecular interactions.


, Scientific Associate, D. E. Shaw Research