Paper Citing NAMD - Abstract
Pietra, Francesco
Molecular-Dynamics Simulation of Dioxygen Egress from 12/15-Lipoxygenase?Arachidonic Acid Complex
CHEMISTRY & BIODIVERSITY, 9:1019-1032, JUN 2012
Extensive random-acceleration molecular-dynamics (RAMD) simulations of the egress of dioxygen (O2) from a model of rabbit 12/15-lipoxygenase?arachidonic acid complex disclosed several exit portals in addition to those previously described from implicit ligand sampling calculations and limited MD simulations.
