A new modification to AMBER force field by incorporating coupled two-dimensional main chain torsion energy has been examined for balanced representation of
Ion imaging experiments and direct chemical dynamics simulations were performed to study the atomic-level dynamics for the F-+ CH3I SN2 nucleophilic substit
MauG is a di-heme enzyme required for methylamine dehydrogenase maturation.MauG-dependent tryptophan tryptophylquinone(TTQ)biosynthesis processes need trans
The potential energy surface for the reaction of C2H3+O2 has been studied using CCSD(T)/CBS method.The stationary points on the potential energy surface wer