Ontology highlight
ABSTRACT:
SUBMITTER: Shea JE
PROVIDER: S-EPMC138565 | biostudies-literature | 2002 Dec
REPOSITORIES: biostudies-literature
Shea Joan-Emma JE Onuchic Jose N JN Brooks Charles L CL
Proceedings of the National Academy of Sciences of the United States of America 20021122 25
The mechanism and thermodynamics of folding of the Src homology 3 (SH3) protein domain are characterized at an atomic level through molecular dynamics with importance sampling. This methodology enables the construction of the folding free energy landscape of the protein as a function of representative reaction coordinates. We observe that folding proceeds in a downhill manner under native conditions, with early compaction and structure formation in the hydrophobic sheet consisting of the three c ...[more]