Ontology highlight
ABSTRACT:
SUBMITTER: Sekharan S
PROVIDER: S-EPMC3075117 | biostudies-literature | 2011 Apr
REPOSITORIES: biostudies-literature
Journal of the American Chemical Society 20110310 13
By comparing the results from a hybrid quantum mechanics/molecular mechanics method (SORCI+Q//B3LYP/6-31G*:Amber) between vertebrate (bovine) and invertebrate (squid) visual pigments, the mechanism of molecular rearrangements, energy storage, and origin of the bathochromic shift accompanying the transformation of rhodopsin to bathorhodopsin have been evaluated. The analysis reveals that, in the presence of an unrelaxed binding site, bathorhodopsin was found to carry almost 27 kcal/mol energy in ...[more]