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.