Ontology highlight
ABSTRACT:
SUBMITTER: Kleinekathofer U
PROVIDER: S-EPMC3121902 | biostudies-literature | 2011 Jun
REPOSITORIES: biostudies-literature
Kleinekathöfer Ulrich U Isralewitz Barry B Dittrich Markus M Schulten Klaus K
The journal of physical chemistry. A 20110401 25
F(1)-ATPase is the catalytic domain of F(1)F(o)-ATP synthase and consists of a hexameric arrangement of three noncatalytic α and three catalytic β subunits. We have used unbiased molecular dynamics simulations with a total simulation time of 900 ns to investigate the dynamic relaxation properties of isolated β-subunits as a step toward explaining the function of the integral F(1) unit. To this end, we simulated the open (β(E)) and the closed (β(TP)) conformations under unbiased conditions for up ...[more]