Comparison of computational methods to model DNA minor groove binders

Journal of Chemical Information and Modeling

Volumn 51, Issue 3, 2011, Pages 558-571

  Srivastava, Hemant Kumar ^a   Chourasia, Mukesh ^a   Kumar, Devesh ^a   Sastry, G Narahari ^a  

^a INDIAN INSTITUTE OF CHEMICAL TECHNOLOGY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

BINDERS; COMPLEXATION; COMPUTATIONAL METHODS; DNA; GOLD; LIGANDS; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY;

AQUEOUS CONDITION; COMPUTATIONAL ANALYSIS; DNA-LIGAND INTERACTIONS; LIGAND COMPLEXES; MOLECULAR DYNAMICS SIMULATIONS; OPTIMIZED GEOMETRIES; QUANTUM CHEMICAL DESCRIPTORS; SMALL MOLECULES;

BIOINFORMATICS;

DNA; LIGAND;

ARTICLE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; MOLECULAR DYNAMICS; MOLECULAR LIBRARY; NUCLEOTIDE SEQUENCE; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

BASE SEQUENCE; COMPUTER SIMULATION; DNA; LIGANDS; MOLECULAR DYNAMICS SIMULATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SMALL MOLECULE LIBRARIES;

EID: 79953177054     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100474n     Document Type: Article

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