Cross Multiple Scales to Find Better Medicines

Jianing Li

Univ. of Vermont

Thursday, November 7, 2019 - 11:30am

Lederle Graduate Research Tower 1634

Reception and light refreshments at 11:00 a.m.

Understanding of how molecules behave across multiple temporal and spatial scales is critical for drug discovery. Despite recent advances of multiscale theory, it remains a major challenge to apply current computational approaches to guide the design of small-molecule drugs and nanomedicines. As the proof of concept for multiscale modeling for drug discovery, two recent studies will be discussed, which (1) design small molecules to target stress-related G protein coupled receptors (GPCRs) based on long microsecond dynamics, and (2) design peptides and DNAs that self-assemble to nanomedicines to treat microbial infections and tumors.

Speaker Link:
Faculty Host: Jianing Chen
Event Contact:
Laura Sedberry
lsedberry@chem.umass.edu
(413) 545-2585