Biophysics Seminar

Date
Mon, Feb 15, 2016 4:00 pm - 5:00 pm
Location
Marker Seminar Room (0112), Chemistry Building

Description

Speaker Name: Gregory Voth

Speaker Institution : University of Chicago

Title: Theory and Simulation of Biomolecular Systems: The Multiscale Challenge

Abstract : A multiscale theoretical and computational methodology will be discussed for studying biomolecular systems across multiple length and time scales. The approach provides a systematic connection between all-atom molecular dynamics, coarse-grained modeling, and mesoscopic phenomena. At the heart of the approach is a method for deriving coarse-grained models from protein structures and their underlying molecular-scale interactions. This particular aspect of the work has strong connections to the theory of renormalization, but it is more broadly developed and implemented for heterogeneous biomolecular systems. A critical component of the methodology is also its connection to experimental structural data such as cryo-EM or x-ray, thus making it “hybrid” in its character. Applications of our multiscale simulation approach to elaborate key features of complex processes such as the HIV virus capsid assembly and protein-mediated membrane remodeling will be presented as ! time allows.