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SUMMARY:Theory and Simulation of Biomolecular Systems: Surmounting the Cha
 llenge of Bridging the Scales - Prof. Greg Voth\, University of Chicago (C
 CP5 Lecturer)
DTSTART:20120319T141500Z
DTEND:20120319T151500Z
UID:TALK33483@talks.cam.ac.uk
CONTACT:Robert Best
DESCRIPTION:A multiscale theoretical and computational methodology will be
  presented for studying biomolecular systems across multiple length and ti
 me scales. The approach provides a systematic connection between all-atom 
 molecular dynamics\, coarse-grained modeling\, and mesoscopic phenomena. A
 t 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 systems. A critical component of the methodology is also its
  connection to experimental structural data such as cryo-EM or x-ray\, thu
 s making it “hybrid” in its character. Applications this overall multi
 scale approach to study key features of large multi-protein complexes such
  the HIV-1 virus capsid\, the entire HIV-1 immature virion\, actin filamen
 ts\, and protein-mediated membrane remodeling will be presented as time al
 lows. 
LOCATION:Department of Chemistry\, Cambridge\, Pfizer lecture theatre
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