Date
Time
11:00 a.m.
Location
Zoom
Presenter
Jianing Li (Associate Professor, Department of Chemistry, The University of Vermont)
Abstract
The ability to computationally examine molecular interactions on large time and space scales is critical for numerous applications in structure-based drug design. In this seminar, I will discuss the latest development of hierarchical simulations to study the self-assembly of medically important proteins/peptides. I also will present our recent progress to combine multiscale modeling with machine learning to design small-molecule drugs and biologics.