Mapping the binding site of a large set of quinazoline type EGF-R inhibitors using molecular field analyses and molecular docking studies

Journal of Chemical Information and Computer Sciences

Volumn 43, Issue 1, 2003, Pages 273-283

  Hou, Tingjun ^a   Zhu, Lili ^a   Chen, Lirong ^a   Xu, Xiaojie ^a  

^a PEKING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING SITE; COMPARATIVE MOLECULAR FIELD ANALYSIS; EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS; MOLECULAR DOCKING; QUINAZOLINE;

COMPUTER SIMULATION; CRYSTAL STRUCTURE; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; STATISTICAL MECHANICS;

PROTEINS;

ENZYME INHIBITOR; EPIDERMAL GROWTH FACTOR RECEPTOR; QUINAZOLINE DERIVATIVE;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; DRUG ANTAGONISM; FACTUAL DATABASE; HYDROGEN BOND; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THERMODYNAMICS;

BINDING SITES; COMPUTER SIMULATION; DATABASES, FACTUAL; ENZYME INHIBITORS; HYDROGEN BONDING; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; QUINAZOLINES; RECEPTOR, EPIDERMAL GROWTH FACTOR; THERMODYNAMICS;

EID: 0037208314     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci025552a     Document Type: Article

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