Docking to RNA via root-mean-square-deviation-driven energy minimization with flexible ligands and flexible targets

Journal of Chemical Information and Modeling

Volumn 48, Issue 6, 2008, Pages 1257-1268

  Guilbert, Christophe ^a   James, Thomas L ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; BINDING ENERGY; DIAGNOSIS; LIGANDS; PROTEINS; RNA;

COMPUTATIONAL DOCKINGS; ENERGY CONFORMATION; ENERGY MINIMIZATION; MOLECULAR SIMULATIONS; ROOT MEAN SQUARE DEVIATIONS; ROOT-MEAN-SQUARE DISTANCES; STRUCTURE BASED DRUG DESIGNS; VIRTUAL SCREENING;

BIOINFORMATICS;

LIGAND; RNA; RNA 16S;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DRUG SCREENING; METABOLISM; METHODOLOGY; REPRODUCIBILITY; THERMODYNAMICS;

BINDING SITES; DRUG EVALUATION, PRECLINICAL; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; REPRODUCIBILITY OF RESULTS; RNA; RNA, RIBOSOMAL, 16S; THERMODYNAMICS;

EID: 47349127321     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci8000327     Document Type: Article

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