Bhattacharyya, Sudeep

Combined quantum mechanical and molecular mechanical simulations of one- and two-electron reduction potentials of flavin cofactor in water, medium-chain acyl-CoA dehydrogenase, and cholesterol oxidase. [electronic resource] - The journal of physical chemistry. A Jul 2007 - 5729-42 p. digital

Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.

1089-5639

10.1021/jp071526+ doi


Acyl-CoA Dehydrogenase--chemistry
Binding Sites
Cholesterol Oxidase--chemistry
Computer Simulation
Cyclization
Electrons
Flavins--chemistry
Gases--chemistry
Models, Molecular
Molecular Structure
Oxidation-Reduction
Protons
Quantum Theory
Water--chemistry