Theory and Simulation of Biomolecular Systems: Surmounting the Challenge of Bridging the Scales Seminar
- Time:
- 14:00
- Date:
- 16 March 2012
- Venue:
- Building 27 Lecturer room 2001
For more information regarding this seminar, please email Chris-Kriton Skylaris at c.skylaris@soton.ac.uk .
Event details
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 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, thus making it “hybrid” in its character. Applications this overall multiscale approach to study key features of large multi-protein complexes such the HIV-1 virus capsid, the entire HIV-1 immature virion, actin filaments, and protein-mediated membrane remodeling will be presented as time allows.
For more information visit the CMG website
Speaker information
Professor Greg Voth , Department of Chemistry, University of Chicago. Porfessor Greg Voth's research interestes include theoretical and computer simulation studies of biomolecular and liquid state phenomena, as well as of novel materials.