000 01551 a2200397 4500
005 20250515072214.0
264 0 _c20070917
008 200709s 0 0 eng d
022 _a1089-5639
024 7 _a10.1021/jp071526+
_2doi
040 _aNLM
_beng
_cNLM
100 1 _aBhattacharyya, Sudeep
245 0 0 _aCombined 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.
_h[electronic resource]
260 _bThe journal of physical chemistry. A
_cJul 2007
300 _a5729-42 p.
_bdigital
500 _aPublication 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.
650 0 4 _aAcyl-CoA Dehydrogenase
_xchemistry
650 0 4 _aBinding Sites
650 0 4 _aCholesterol Oxidase
_xchemistry
650 0 4 _aComputer Simulation
650 0 4 _aCyclization
650 0 4 _aElectrons
650 0 4 _aFlavins
_xchemistry
650 0 4 _aGases
_xchemistry
650 0 4 _aModels, Molecular
650 0 4 _aMolecular Structure
650 0 4 _aOxidation-Reduction
650 0 4 _aProtons
650 0 4 _aQuantum Theory
650 0 4 _aWater
_xchemistry
700 1 _aStankovich, Marian T
700 1 _aTruhlar, Donald G
700 1 _aGao, Jiali
773 0 _tThe journal of physical chemistry. A
_gvol. 111
_gno. 26
_gp. 5729-42
856 4 0 _uhttps://doi.org/10.1021/jp071526+
_zAvailable from publisher's website
999 _c17105340
_d17105340