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Journal of Computer-Aided Molecular Design

Volumn 21, Issue 8, 2007, Pages 421-435

Outliers in SAR and QSAR: 2. Is a flexible binding site a possible source of outliers?

(1) Kim, Ki Hwan a

a Hope Drug Discovery Research Laboratory (United States)

Author keywords

Flexible binding site; Multiple binding mode; Outliers; QSAR; SAR; Souce of outliers; X ray crystal structure

Indexed keywords

BINDING ENERGY; COMPUTATIONAL CHEMISTRY; LIGANDS; MOLECULAR GRAPHICS; PROTEINS; STATISTICS;

BINDING MODES; BINDING-SITES; FLEXIBLE BINDING SITE; MULTIPLE BINDING MODE; OUTLIER; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP STUDIES; SOUCE OF OUTLIER; STRUCTURE-ACTIVITY RELATIONSHIPS; X RAY CRYSTAL STRUCTURES;

CRYSTAL STRUCTURE;

BENZENE DERIVATIVE; ELASTASE INHIBITOR; ISOQUINOLINE DERIVATIVE; LIGAND; NITRIC OXIDE SYNTHASE INHIBITOR; NUCLEOTIDE DERIVATIVE; PHOSPHATE; PROTEIN TYROSINE KINASE INHIBITOR; PYRIMIDINE DERIVATIVE; PYRIMIDINE NUCLEOTIDE; PYRIMIDINONE DERIVATIVE; QUINAZOLINONE DERIVATIVE;

ARTICLE; BINDING SITE; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; DATA BASE; DRUG DESIGN; DRUG RESEARCH; LIGAND BINDING; PRIORITY JOURNAL; PROTEIN STRUCTURE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURE ACTIVITY RELATION; X RAY ANALYSIS;

EID: 34548785534 PISSN: 0920654X EISSN: 15734951 Source Type: Journal
DOI: 10.1007/s10822-007-9126-y Document Type: Article

Times cited : (31)

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