TITLE:
CSRC Colloquium
Developing and Using Free Energy Calculations to Guide Pharmaceutical Lead Optimization
DATE:
Friday, July 17, 2020
TIME:
3:00 PM
LOCATION:
Virtual Zoom Conference
SPEAKER:
Dr. David Mobley, Department of Pharmaceutical Sciences and Department of Chemistry, UC Irvine
ABSTRACT:
Research in the Mobley lab focuses on computational techniques to help guide pharmaceutical drug discovery efforts. In this talk, I'll highlight some of the key challenges facing drug discovery, then give an overview of how my group is developing and using computational methods to help early stage drug discovery. A particular focus is on techniques for accurately predicting binding interactions between proteins and small molecules using molecular modeling and simulations. I'll discuss how some of these techniques work, and then give an overview of some our recent work in this area.

HOST:
Antoni Luque
VIDEO: