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Home | Seminars and Symposia | Past seminars/symposia: Tuesday, October 13, 2009

DTC Science and Technology Innovators Lecture Series

Systematic Multiscale Modeling of Biomolecular Systems

by

Greg Voth
Center for Biophysical Modeling and Simulation
and Department of Chemistry
University of Utah

Tuesday, October 13, 2009
4:30 p.m. reception
5:00 p.m. lecture

402 Walter Library

Greg Voth

A multiscale theoretical and computational methodology will be presented 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 the multiscale coarse-graining method for rigorously deriving coarse-grained models from the underlying molecular-scale interactions. Applications of the multiscale approach will be given for membranes and proteins, although the overall methodology is applicable to many other complex condensed matter systems. Recent applications to large protein complexes such as the HIV-1 viral capsid and actin filaments will also be described. The computational challenges and opportunities for this area of molecular modeling will be emphasized.

 

Gregory A. Voth is a Distinguished Professor of Chemistry and the Director of the Center for Biophysical Modeling and Simulation at the University of Utah. He received a Ph.D. in Theoretical Chemistry from the California Institute of Technology in 1987 and was an IBM Postdoctoral Fellow at the University of California, Berkeley from 1987-89. Professor Voth is the author or co-author of more than 300 peer-reviewed scientific articles and has mentored more than 135 postdoctoral fellows, graduate students, and undergraduate research assistants. His research interests include: Multiscale Simulation and Theoretical Modeling of Biomolecular Systems; Proton Transport Processes in Biological, Material, and Solution Phase Systems; Computer Simulation and Modeling of Soft Materials; Room Temperature Ionic Liquids; Theory and Simulation of Solvation Phenomena; Theory and Simulation of Condensed Phase Quantum Dynamical Processes; and High Performance Computing. Voth was the 2008 Chair of the Physical Chemistry Division of the American Chemical Society and is an elected fellow of the American Chemical Society, American Physical Society, and the American Association for the Advancement of Science. He current serves on several journal editorial boards, including The Journal of Physical Chemistry, Journal of Chemical Physics, Biophysical Journal, and Accounts of Chemical Research. His honors include: John Simon Guggenheim Memorial, Fellowship, 2004-2005; Miller Professorship, University of California, Berkeley, 2003; IBM Faculty Research Award, 1997-99; Camille Dreyfus Teacher-Scholar Award, 1994-1999; Alfred P. Sloan Foundation Research Fellow, 1992-94; National Science Foundation Presidential Young Investigator Award, 1991-96; David and Lucile Packard Foundation Fellowship in Science and Engineering, 1990-95; Camille and Henry Dreyfus Distinguished New Faculty Award, 1989; IBM Postdoctoral Fellowship, University of California, Berkeley, 1987-88; The Francis and Milton Clauser Doctoral Prize, California Institute of Technology, 1987; The Herbert Newby McCoy Award , California Institute of Technology, 1986; and The Procter and Gamble Award for Outstanding Research in Physical Chemistry, American, Chemical Society, 1985.