Ontology highlight
ABSTRACT:
SUBMITTER: Nam K
PROVIDER: S-EPMC2491468 | biostudies-literature | 2008 Aug
REPOSITORIES: biostudies-literature
Nam Kwangho K Gao Jiali J York Darrin M DM
RNA (New York, N.Y.) 20080619 8
Molecular dynamics simulations using a combined quantum mechanical/molecular mechanical potential are used to determine the two-dimensional free energy profiles for the mechanism of RNA transphosphorylation in solution and catalyzed by the hairpin ribozyme. A mechanism is explored whereby the reaction proceeds without explicit chemical participation by conserved nucleobases in the active site. The ribozyme lowers the overall free energy barrier by up to 16 kcal/mol, accounting for the majority o ...[more]