Ontology highlight
ABSTRACT:
SUBMITTER: Tournier AL
PROVIDER: S-EPMC1303358 | biostudies-literature | 2003 Sep
REPOSITORIES: biostudies-literature
Tournier Alexander L AL Xu Jiancong J Smith Jeremy C JC
Biophysical journal 20030901 3
Experimental and computer simulation studies have revealed the presence of a glass-like transition in the internal dynamics of hydrated proteins at approximately 200 K involving an increase of the amplitude of anharmonic dynamics. This increase in flexibility has been correlated with the onset of protein activity. Here, we determine the driving force behind the protein transition by performing molecular dynamics simulations of myoglobin surrounded by a shell of water. A dual heat bath method is ...[more]