SCIENCE AT THE EDGE SEMINAR

QB/GEDD

Friday, January 31 at 11:30am

Room 1400 Biomedical and Physical Sciences Bldg.

Refreshments at 11:15

Gregory Voth

Department of Chemistry, James Franck Institute

Institute for Biophysical Dynamics, and Computation Institute

University of Chicago

Theory and Simulation of Biomolecular Systems:

Surmounting the Challenge of Bridging the Scales

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. Important applications of the multiscale approach to study key features of large multi-protein complexes such as the HIV-1 virus capsid, actin filaments, and protein-mediated membrane remodeling will be presented as time allows.

Helen Geiger, Administrative Assistant

Quantitative Biology Graduate Program and

Gene Expression in Development and Disease

Biochemistry

603 Wilson Road, Room 212

East Lansing, MI   48824

Email: [log in to unmask]

Phone:  517-432-9895

QB Website: http://www.qbi.msu.edu/

GEDD Website: http://www.gedd.msu.edu/