Cross Multiple Scales to Find Better Medicines
Jianing Li
Univ. of Vermont
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