Field interaction and geometrical overlap: A new simplex and experimental design based computational procedure for superposing small ligand molecules

Journal of Medicinal Chemistry

Volumn 46, Issue 8, 2003, Pages 1359-1371

  Melani, Fabrizio ^a   Gratteri, Paola ^a   Adamo, Michele ^a   Bonaccini, Claudia ^a  

^a UNIVERSITY OF FLORENCE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

DRUG; LIGAND;

ARTICLE; AUTOMATION; DRUG DESIGN; DRUG STRUCTURE; GEOMETRY; LIGAND BINDING; PROTEIN DATABASE; STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

BENZENE DERIVATIVES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; MODELS, MOLECULAR; NAPHTHALENES; PIPERAZINES; PYRAZINES; PYRIMIDINES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STEROIDS;

EID: 0037431383     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm0210616     Document Type: Article

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