Date: 12/02/2016
Time: 4:10pm - 5:00pm
Place: 1502 Eng
Title: Modeling Molecular Interactions in Biomolecular Systems
Speaker: Professor Pengyu Ren, The University of Texas at Austin
Noncovalent interactions, electrostatic in nature, are essential in biomolecular processes such as protein/RNA folding and binding. Recently we have been systematically investigating the fundamental electrostatic forces including short-range induction and
penetration effects by using ab initio Symmetry Adapted Perturbation Theory (SAPT), in order to advance the accuracy and transferability in physics-driven classical mechanics model. In this talk, I will present the development of AMOEBA polarizable multipole
based force field along with its applications in molecular dynamics simulations towards understanding protein-ligand binding thermodynamics
Michigan State University
Dept. Physics and Astronomy
Shawna Prater
3261BPS, 567 Wilson Road
East Lansing, MI 48824-6405
fax 517.432.8802