Ontology highlight
ABSTRACT:
SUBMITTER: Li T
PROVIDER: S-EPMC2818739 | biostudies-literature | 2008 Dec
REPOSITORIES: biostudies-literature
Li Tanping T Hassanali Ali A AA Singer Sherwin J SJ
The journal of physical chemistry. B 20081201 50
Molecular dynamics simulations are used to calculate the time-dependent Stokes shift following photoexcitation of Trp-7 (W7) in myoglobin. In agreement with experiment, a long time (approximately 60 ps) component is observed. Since the long time Stokes shift component is absent when we repeat the calculation with protein frozen at the instant of photoexcitation, we firmly establish that protein flexibility is required to observe slow Stokes shift dynamics in this case. A transition between sub-s ...[more]