Carbohydrate-binding proteins: Dissecting ligand structures through solvent environment occupancy

Journal of Physical Chemistry B

Volumn 113, Issue 25, 2009, Pages 8717-8724

  Gauto, Diego F ^a   Di Lella, Santiago ^a   Guardia, Carlos M A ^a   Estrin, Darío A ^a   Martí, Marcelo A ^a,b  

^a UNIVERSIDAD DE BUENOS AIRES   (Argentina)

^b UNIVERSIDAD NACIONAL DE TUCUMÁN   (Argentina)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; BINDING SITES; BIOCHEMISTRY; CARBOHYDRATES; COMPLEXATION; DYNAMICS; FUNCTIONAL GROUPS; LIGANDS; MOLECULAR DYNAMICS; MOLECULES; PROBABILITY DENSITY FUNCTION; PROTEINS; SOLVATION; SOLVENTS; STATISTICAL MECHANICS; THERMODYNAMIC PROPERTIES;

ANALYSIS TOOLS; ASSOCIATED WATER; BINDING FREE ENERGY; BINDING PROTEINS; BULK DENSITY; CARBOHYDRATE BINDING; CARBOHYDRATE RECOGNITION; CARBOHYDRATE-RECOGNITION DOMAINS; CONTACT SURFACE; CYCLOPHILIN; EXPLICIT WATER; GALECTIN-1; HYDROXYL GROUPS; LIGAND BINDING; LIGAND STRUCTURE; LIGAND-BINDING SITES; MD SIMULATION; MICROSCOPIC LEVELS; MOLECULAR DYNAMICS SIMULATIONS; MULTI-MODULAR; PROTEIN AFFINITY; PROTEIN SURFACE; PROTEIN-LIGAND COMPLEXES; RECOGNITION PROCESS; SIALIDASE; SOLVATION STRUCTURE; SOLVENT ENVIRONMENTS; SOLVENT REORGANIZATION; THERMODYNAMICS AND KINETICS; WATER MOLECULE;

WATER ANALYSIS;

EID: 67649197952     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp901196n     Document Type: Article

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