Energetic frustrations in protein folding at residue resolution: a homologous simulation study of Im9 proteins.

ABSTRACT: Energetic frustration is becoming an important topic for understanding the mechanisms of protein folding, which is a long-standing big biological problem usually investigated by the free energy landscape theory. Despite the significant advances in probing the effects of folding frustrations on the overall features of protein folding pathways and folding intermediates, detailed characterizations of folding frustrations at an atomic or residue level are still lacking. In addition, how and to what extent folding frustrations interact with protein topology in determining folding mechanisms remains unclear. In this paper, we tried to understand energetic frustrations in the context of protein topology structures or native-contact networks by comparing the energetic frustrations of five homologo

SUBMITTER: Sun Y 

PROVIDER: S-EPMC3909201 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature