Optimization of an elastic network augmented coarse grained model to study CCMV capsid deformation.

ABSTRACT: The major protective coat of most viruses is a highly symmetric protein capsid that forms spontaneously from many copies of identical proteins. Structural and mechanical properties of such capsids, as well as their self-assembly process, have been studied experimentally and theoretically, including modeling efforts by computer simulations on various scales. Atomistic models include specific details of local protein binding but are limited in system size and accessible time, while coarse grained (CG) models do get access to longer time and length scales but often lack the specific local interactions. Multi-scale models aim at bridging this gap by systematically connecting different levels of resolution. Here, a CG model for CCMV (Cowpea Chlorotic Mottle Virus), a virus with an icosahedral s

SUBMITTER: Globisch C 

PROVIDER: S-EPMC3628857 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature