Ontology highlight
ABSTRACT:
SUBMITTER: Wang L
PROVIDER: S-EPMC3463243 | biostudies-literature | 2012 Aug
REPOSITORIES: biostudies-literature
The journal of physical chemistry. B 20120801 32
Infrared (IR) spectroscopy has been widely utilized for the study of protein folding, unfolding, and misfolding processes. We have previously developed a theoretical method for calculating IR spectra of proteins in the amide I region. In this work, we apply this method, in combination with replica-exchange molecular dynamics simulations, to study the equilibrium thermal unfolding transition of the villin headpiece subdomain (HP36). Temperature-dependent IR spectra and spectral densities are calc ...[more]