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UID:2026091612310720131017T00000020131017T0000006aa9e34b82bc4@uic.edu
CATEGORIES:MEETING
STATUS:TENTATIVE
DTSTAMP:20190617T041724
DTSTART:20131017T000000
DTEND:20131017T000000
SUMMARY:Gregory A. Voth, University of Chicago
DESCRIPTION:Theory and Simulation of Biomolecular Systems: Surmounting the Challenge of Bridging the ScalesOn  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. 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. | Event post: https://che.uic.edu/events?page_id=1165
LOCATION:CEB 218 810 South Clinton Street  Chicago IL 60612
CLASS:PRIVATE
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