Drug Discovery with Computers


Drug Discovery with Computers
Monday, February 11, 2019
3PM – 4:30PM
POB 2.402 (Electronic)

Jeremy Smith

The availability of large numbers of 3D protein structures means that structure-based computation can take center stage in drug discovery efforts. We show how computational drug design protocols benefit considerably from a dynamic, rather than just a static, description of the protein to be modulated. We describe how taking these motions into account in virtual high-throughput screening has led to the discovery of lead compounds for a variety of diseases.

Hosted by Ron Elber