Ontology highlight
ABSTRACT:
SUBMITTER: Kirmizialtin S
PROVIDER: S-EPMC4623308 | biostudies-literature | 2015 Sep
REPOSITORIES: biostudies-literature
Kirmizialtin Serdal S Johnson Kenneth A KA Elber Ron R
The journal of physical chemistry. B 20150814 35
Atomically detailed simulations of HIV RT are performed to investigate the contributions of the conformational transition to the overall rate and specificity of enzyme catalysis. A number of different scenarios are considered within Milestoning theory to provide a more complete picture of the process of opening and closing the enzyme. We consider the open to closed transition in the absence of and with the correct and incorrect substrates. We also consider the free energy profile and the kinetic ...[more]