Molecular modeling of hydration in drug design

Current Opinion in Drug Discovery and Development

Volumn 10, Issue 3, 2007, Pages 275-280

  Mancera, Ricardo L ^a  

^a CURTIN UNIVERSITY   (Australia)

Author keywords

Docking; Drug design; Free energy of binding; Hydration; Molecular modeling; Solvation; Water

Indexed keywords

BINDING AFFINITY; DRUG BINDING; DRUG DESIGN; DRUG STRUCTURE; HYDRATION; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULAR MODEL; MONTE CARLO METHOD; PROTEIN INTERACTION; REVIEW; SCORING SYSTEM; SOLVATION; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

BINDING SITES; COMPUTER SIMULATION; DRUG DESIGN; LIGANDS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PHARMACEUTICAL PREPARATIONS; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS; TECHNOLOGY, PHARMACEUTICAL; THERMODYNAMICS; WATER;

EID: 34249079980     PISSN: 13676733     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Review

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