A novel method to simulate the hydrophobic effect and its application to the ranking of host/guest complexes

Journal of Chemical Information and Modeling

Volumn 46, Issue 6, 2006, Pages 2563-2573

  Doweyko, Arthur M ^a   Johnson, Stephen R ^a  

^a BRISTOL MYERS SQUIBB PHARMACEUTICAL RESEARCH INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; CORRELATION METHODS; DRUG THERAPY; ENTROPY; SOLUTIONS; SOLVENTS;

HYDROPHOBIC EFFECTS; HYDROPHOBIC SURFACES; LIGAND PROTEIN COMPLEXES; SOLVENT PARTICLES;

HYDROPHOBICITY;

LIGAND; PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA; SOLVENT;

ALGORITHM; ANIMAL; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG DESIGN; ENTROPY; HUMAN; METHODOLOGY; PROTEIN BINDING; PROTEIN CONFORMATION; THERMODYNAMICS;

ALGORITHMS; ANIMALS; CHEMISTRY, PHARMACEUTICAL; COMPUTER SIMULATION; DRUG DESIGN; ENTROPY; HUMANS; LIGANDS; MODELS, CHEMICAL; MODELS, MOLECULAR; PPAR GAMMA; PROTEIN BINDING; PROTEIN CONFORMATION; SOLVENTS; THERMODYNAMICS;

EID: 33845787591     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci600188h     Document Type: Article

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