CrystalDock: A novel approach to fragment-based drug design

Journal of Chemical Information and Modeling

Volumn 51, Issue 10, 2011, Pages 2573-2580

  Durrant, Jacob D ^a   Friedman, Aaron J ^a   McCammon, J Andrew ^b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; BIOINFORMATICS;

BINDING AFFINITIES; BINDING POCKETS; MICROENVIRONMENTS; NOVEL ALGORITHM; PANDEMIC INFLUENZA; POTENTIAL BINDING; SLEEPING SICKNESS; TRYPANOSOMA BRUCEI;

LIGANDS;

ENZYME INHIBITOR; LYASE; NAPHTHALENE; NAPHTHALENE DERIVATIVE; OSELTAMIVIR; PROTOZOAL PROTEIN; SIALIDASE; TBMP52 PROTEIN, TRYPANOSOMA BRUCEI;

ALGORITHM; ARTICLE; CHEMISTRY; COMPUTER INTERFACE; COMPUTER PROGRAM; DRUG ANTAGONISM; DRUG DESIGN; ENZYMOLOGY; INFLUENZA VIRUS A H1N1; INFLUENZA VIRUS A H5N1; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEIN BINDING; PROTEIN DATABASE; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; CRYSTALLOGRAPHY, X-RAY; DATABASES, PROTEIN; DRUG DESIGN; ENZYME INHIBITORS; INFLUENZA A VIRUS, H1N1 SUBTYPE; INFLUENZA A VIRUS, H5N1 SUBTYPE; MAGNETIC RESONANCE SPECTROSCOPY; NAPHTHALENES; NEURAMINIDASE; OSELTAMIVIR; PHOSPHORUS-OXYGEN LYASES; PROTEIN BINDING; PROTOZOAN PROTEINS; SOFTWARE; USER-COMPUTER INTERFACE;

EID: 80054946890     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200357y     Document Type: Article

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