SCOPUS 정보 검색 플랫폼

Journal of the American Chemical Society

Volumn 124, Issue 33, 2002, Pages 9926-9936

Quantum mechanical/molecular mechanical free energy simulations of the glutathione S-transferase (M1-1) reaction with phenanthrene 9,10-oxide

(4) Ridder, Lars a Rietjens, Ivonne M C M b Vervoort, Jacques b Mulholland, Adrian J a

a UNIVERSITY OF BRISTOL (United Kingdom)

b WAGENINGEN UNIVERSITY (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

DESOLVATION;

CATALYSIS; COMPUTER SIMULATION; DETOXIFICATION; ENZYMES; FREE ENERGY; MOLECULAR DYNAMICS; RATE CONSTANTS;

QUANTUM THEORY;

ASPARAGINE; ASPARTIC ACID; GLUTATHIONE TRANSFERASE; PHENANTHRENE DERIVATIVE; PHENANTHRENE EPOXIDE; THIOLACID; TYROSINE; UNCLASSIFIED DRUG; XENOBIOTIC AGENT;

ARTICLE; CATALYSIS; CONJUGATION; CRYSTAL STRUCTURE; DETOXIFICATION; DIAGNOSTIC ACCURACY; ENERGY; ENZYME ACTIVE SITE; ENZYME MECHANISM; EPOXIDATION; GENE MUTATION; HISTOGRAM; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MECHANICS; MOLECULAR MODEL; MOLECULAR STABILITY; QUANTUM MECHANICS; REACTION ANALYSIS; SIMULATION; STEREOISOMERISM;

BINDING SITES; COMPUTER SIMULATION; GLUTATHIONE TRANSFERASE; HYDROGEN BONDING; MODELS, CHEMICAL; MODELS, MOLECULAR; MUTATION; PHENANTHRENES; QUANTUM THEORY; THERMODYNAMICS;

EID: 0037151638 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja0256360 Document Type: Article

Times cited : (73)

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