Comparing the electronic properties and docking calculations of heme derivatives on CYP2B4

Journal of Molecular Modeling

Volumn 14, Issue 6, 2008, Pages 537-545

  Mendieta Wejebe, Jessica E ^a   Rosales Hernández, Martha C ^a   Rios, Hulme ^a,c   Trujillo Ferrara, José ^a   López Pérez, Gilberto ^a   Tamay Cach, Feliciano ^a   Ramos Morales, Rafael ^b   Correa Basurto, José ^a  

^a INSTITUTO POLITÉCNICO NACIONAL   (Mexico)

^b UNIVERSIDAD VERACRUZANA   (Mexico)

^c UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

Cytochrome P450; DFT; Docking; Heme derivatives; HOMO LUMO orbitals

Indexed keywords

ANILINE; ANILINE DERIVATIVE; APOPROTEIN; ARGININE; CYTOCHROME P450 2B4; HEME; HEME DERIVATIVE; N METHYL ANILINE;

ARTICLE; BINDING AFFINITY; BINDING SITE; COMPARATIVE STUDY; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; ELECTRIC POTENTIAL; ENZYME SUBSTRATE COMPLEX; MOLECULAR DOCKING; MOLECULAR INTERACTION; MOLECULAR STABILITY; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN MODIFICATION; PROTEIN PROTEIN INTERACTION; SURFACE PROPERTY;

AMINO ACID SEQUENCE; ARYL HYDROCARBON HYDROXYLASES; COMPUTER SIMULATION; ELECTRONS; ENTROPY; HEME; MOLECULAR SEQUENCE DATA; MOLECULAR STRUCTURE;

EID: 43849112513     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-008-0294-z     Document Type: Article

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