Ontology highlight
ABSTRACT:
SUBMITTER: Domanski J
PROVIDER: S-EPMC5852462 | biostudies-literature | 2018 Mar
REPOSITORIES: biostudies-literature
Domański Jan J Sansom Mark S P MSP Stansfeld Phillip J PJ Best Robert B RB
Journal of chemical theory and computation 20180209 3
Atomistic simulations have recently been shown to be sufficiently accurate to reversibly fold globular proteins and have provided insights into folding mechanisms. Gaining similar understanding from simulations of membrane protein folding and association would be of great medical interest. All-atom simulations of the folding and assembly of transmembrane protein domains are much more challenging, not least due to very slow diffusion within the lipid bilayer membrane. Here, we focus on a simple a ...[more]