AcquaAlta: A directional approach to the solvation of ligand-protein complexes

Journal of Chemical Information and Modeling

Volumn 51, Issue 8, 2011, Pages 1867-1881

  Rossato, Gianluca ^a   Ernst, Beat ^a   Vedani, Angelo ^a   Smieško, Martin ^a  

^a UNIVERSITY OF BASEL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CALCULATIONS; CRYSTALS; LIGANDS; PROTEINS; SOLVATION;

AB INITIO CALCULATIONS; BINDING AFFINITIES; BINDING PROTEINS; CAMBRIDGE STRUCTURAL DATABASE; COMPUTER AIDED DRUG DESIGN; LIGAND-PROTEIN COMPLEXES; POLAR INTERACTIONS; WEAK INTERACTIONS;

MOLECULES;

BACTERIAL PROTEIN; CARRIER PROTEIN; LIGAND; LIPOPROTEIN; OLIGOPEPTIDE; OLIGOPEPTIDE BINDING PROTEIN, BACTERIA; OLIGOPEPTIDE-BINDING PROTEIN, BACTERIA; WATER;

ALGORITHM; ARTICLE; BACTERIUM; BINDING SITE; CHEMICAL PHENOMENA; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; HUMAN; HYDROGEN BOND; METABOLISM; METHODOLOGY; PROTEIN BINDING; PROTEIN DATABASE; SOLUBILITY; SOLUTION AND SOLUBILITY; SYSTEMS BIOLOGY; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; BACTERIA; BACTERIAL PROTEINS; BINDING SITES; CARRIER PROTEINS; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DATABASES, PROTEIN; HUMANS; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; LIGANDS; LIPOPROTEINS; MODELS, MOLECULAR; OLIGOPEPTIDES; PROTEIN BINDING; SOLUBILITY; SOLUTIONS; SYSTEMS BIOLOGY; WATER;

EID: 80052010268     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200150p     Document Type: Article

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