000			02026 a2200577 4500
005			20250515062432.0
264		0	_c20070718
008			200707s 0 0 eng d
022			_a0948-5023
024	7		_a10.1007/s00894-007-0196-5 _2doi
040			_aNLM _beng _cNLM
100	1		_aShaikh, Abdul Rajjak
245	0	0	_aOxidation mechanism in the metabolism of (S)-N-[1-(3-morpholin-4-ylphenyl)ethyl]-3-phenylacrylamide on oxyferryl active site in CYP3A4 Cytochrome: DFT modeling. _h[electronic resource]
260			_bJournal of molecular modeling _cJul 2007
300			_a851-60 p. _bdigital
500			_aPublication Type: Journal Article; Research Support, Non-U.S. Gov't
650	0	4	_aAlcohols _xchemical synthesis
650	0	4	_aAlgorithms
650	0	4	_aBinding Sites
650	0	4	_aCinnamates _xchemistry
650	0	4	_aComputer Simulation
650	0	4	_aCytochrome P-450 CYP3A
650	0	4	_aCytochrome P-450 Enzyme System _xchemistry
650	0	4	_aHydrogen _xchemistry
650	0	4	_aHydrogen Bonding
650	0	4	_aHydrophobic and Hydrophilic Interactions
650	0	4	_aKetones _xchemical synthesis
650	0	4	_aMetabolic Networks and Pathways
650	0	4	_aModels, Chemical
650	0	4	_aMolecular Conformation
650	0	4	_aMolecular Structure
650	0	4	_aMorpholines _xchemistry
650	0	4	_aNitrogen _xchemistry
650	0	4	_aOxidation-Reduction
650	0	4	_aOxygen _xchemistry
650	0	4	_aProtons
650	0	4	_aQuantum Theory
650	0	4	_aReproducibility of Results
650	0	4	_aStatic Electricity
650	0	4	_aSubstrate Specificity
700	1		_aBroclawik, Ewa
700	1		_aTsuboi, Hideyuki
700	1		_aKoyama, Michihisa
700	1		_aEndou, Akira
700	1		_aTakaba, Hiromitsu
700	1		_aKubo, Momoji
700	1		_aDel Carpio, Carlos A
700	1		_aMiyamoto, Akira
773	0		_tJournal of molecular modeling _gvol. 13 _gno. 6-7 _gp. 851-60
856	4	0	_uhttps://doi.org/10.1007/s00894-007-0196-5 _zAvailable from publisher's website
999			_c16941720 _d16941720