Ontology highlight
ABSTRACT:
SUBMITTER: Huang BC
PROVIDER: S-EPMC6975898 | biostudies-literature | 2019
REPOSITORIES: biostudies-literature
Huang Bang-Chieh BC Yang Lee-Wei LW
Biophysics and physicobiology 20191129
In this study, we provide a time-dependent mechanical model, taking advantage of molecular dynamics simulations, quasiharmonic analysis of molecular dynamics trajectories, and time-dependent linear response theories to describe vibrational energy redistribution within the protein matrix. The theoretical description explained the observed biphasic responses of specific residues in myoglobin to CO-photolysis and photoexcitation on heme. The fast responses were found to be triggered by impulsive fo ...[more]