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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 Abstract: 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 [log in to unmask]<mailto:[log in to unmask]> fax 517.432.8802