Hydrogen-bonding patterns of minor groove-binder - DNA complexes reveal criteria for discovery of new scaffolds

Journal of Chemical Information and Modeling

Volumn 49, Issue 4, 2009, Pages 1063-1069

  Spitzer, Gudrun M ^a   Wellenzohn, Bernd ^b   Markt, Patrick ^a   Kirchmair, Johannes ^a   Langer, Thierry ^c   Liedl, Klaus R ^a  

^a UNIVERSITY OF INNSBRUCK   (Austria)

^b BOEHRINGER INGELHEIM PHARMA GMBH AND CO KG   (Germany)

^c Prestwick Chemical Inc   (France)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; COMPLEXATION; GENE EXPRESSION; LIGANDS; MOLECULES; SCAFFOLDS;

BONDING GEOMETRY; HYDROGEN BOND PATTERNS; HYDROGEN-BOND GEOMETRY; HYDROGEN-BONDING PATTERNS; NONCOVALENT BINDING; THERAPEUTIC APPLICATION; VIRTUAL SCREENING; WATER MOLECULE;

HYDROGEN BONDS;

DNA; LIGAND; WATER;

ARTICLE; BASE PAIRING; CHEMISTRY; COMPUTER PROGRAM; CONFORMATION; DRUG EFFECT; GENE EXPRESSION; GENETIC DATABASE; HYDROGEN BOND;

BASE PAIRING; DATABASES, GENETIC; DNA; GENE EXPRESSION; HYDROGEN BONDING; LIGANDS; NUCLEIC ACID CONFORMATION; SOFTWARE; WATER;

EID: 66149150902     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800455f     Document Type: Article

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