Ontology highlight
ABSTRACT:
SUBMITTER: Lee IH
PROVIDER: S-EPMC3707288 | biostudies-literature | 2013
REPOSITORIES: biostudies-literature
Lee In-Ho IH Kim Seung-Yeon SY
BioMed research international 20130624
Using action-derived molecular dynamics (ADMD), we study the dynamic folding pathway models of the Trp-cage protein by providing its sequential conformational changes from its initial disordered structure to the final native structure at atomic details. We find that the numbers of native contacts and native hydrogen bonds are highly correlated, implying that the native structure of Trp-cage is achieved through the concurrent formations of native contacts and native hydrogen bonds. In early stage ...[more]