Rational procedure for 3D-QSAR analysis using TRNOE experiments and computational methods: Application to thermolysin inhibitors

Drug Design and Discovery

Volumn 17, Issue 3, 2000, Pages 265-281

  Radwan, A A ^a   Gouda, H ^a   Yamaotsu, N ^a   Torigoe, H ^a   Hirono, S ^a  

^a KITASATO UNIVERSITY   (Japan)

Author keywords

3D QSAR; Binding conformation; CoMFA; Conformational analysis; Molecular dynamics; Molecular overlay; Thermolysin; TRNOE

Indexed keywords

LIGAND; METALLOPROTEINASE INHIBITOR; PROTEIN; THERMOLYSIN;

ARTICLE; BINDING KINETICS; BINDING SITE; COMPARATIVE STUDY; DRUG CONFORMATION; DRUG STRUCTURE; MATHEMATICAL COMPUTING; MODEL; MOLECULAR DYNAMICS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURE ANALYSIS; X RAY;

MOLECULAR CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; THERMOLYSIN;

EID: 0034435466     PISSN: 10559612     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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