A new explicit hydration penalty score for ligand-protein interactions

Chemical Physics Letters

Volumn 399, Issue 1-3, 2004, Pages 271-275

  Mancera, Ricardo L ^a  

^a De Novo Pharmaceuticals   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

HYDRATION PENALTIES; LIGAND-PROTEIN BINDING; LIGAND-PROTEIN COMPLEXES; LIGAND-PROTEIN INTERACTIONS;

APPROXIMATION THEORY; COMPUTER SIMULATION; HYDRATION; HYDROGEN BONDS; MONTE CARLO METHODS; SOLVENTS;

PROTEINS;

CYCLIN DEPENDENT KINASE INHIBITOR; SOLVENT;

ARTICLE; COMPLEX FORMATION; HYDRATION; HYDROGEN BOND; LIGAND BINDING; MOLECULAR INTERACTION; MONTE CARLO METHOD; PROTEIN INTERACTION; SIMULATION;

EID: 10944266572     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2004.10.019     Document Type: Article

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