Ontology highlight
ABSTRACT:
SUBMITTER: Chandrasekaran SN
PROVIDER: S-EPMC5315668 | biostudies-literature | 2017 May
REPOSITORIES: biostudies-literature
Chandrasekaran Srinivas Niranj SN Carter Charles W CW
Structural dynamics (Melville, N.Y.) 20170216 3
PATH algorithms for identifying conformational transition states provide computational parameters-time to the transition state, conformational free energy differences, and transition state activation energies-for comparison to experimental data and can be carried out sufficiently rapidly to use in the "high throughput" mode. These advantages are especially useful for interpreting results from combinatorial mutagenesis experiments. This report updates the previously published algorithm with enhan ...[more]