Quantum dynamics in continuum for proton transport--generalized correlation.

ABSTRACT: As a key process of many biological reactions such as biological energy transduction or human sensory systems, proton transport has attracted much research attention in biological, biophysical, and mathematical fields. A quantum dynamics in continuum framework has been proposed to study proton permeation through membrane proteins in our earlier work and the present work focuses on the generalized correlation of protons with their environment. Being complementary to electrostatic potentials, generalized correlations consist of proton-proton, proton-ion, proton-protein, and proton-water interactions. In our approach, protons are treated as quantum particles while other components of generalized correlations are described classically and in different levels of approximations upon simulation f

SUBMITTER: Chen D 

PROVIDER: S-EPMC3331870 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature