Structural transitions in ion coordination driven by changes in competition for ligand binding

Journal of the American Chemical Society

Volumn 130, Issue 46, 2008, Pages 15405-15419

  Varma, Sameer ^a   Rempe, Susan B ^a  

^a SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; BINDING SITES; BIOCHEMISTRY; ELECTROLYSIS; FREE ENERGY; IONS; LIGANDS; MECHANICS; SOLVATION;

CLASSICAL MECHANICS; COORDINATING LIGANDS; COORDINATION DRIVEN; COORDINATION NUMBERS; COORDINATION STATES; COORDINATION STRUCTURES; ENERGETIC COSTS; ENERGY PENALTIES; FAVORABLE INTERACTIONS; HOFMEISTER EFFECTS; INFORMATICS; ION COMPLEXES; ION PARTITIONING; ION SOLVATIONS; LIGAND BINDINGS; LIGAND CHEMISTRIES; LIGAND DENSITIES; LIQUID MEDIAS; QUANTUM CHEMICAL SIMULATIONS; SIGNIFICANT REDUCTIONS; SOLVATION ENVIRONMENTS; SPATIAL REGIONS; STATISTICAL THEORIES; STRUCTURAL TRANSITIONS;

COORDINATION REACTIONS;

LIGAND; POTASSIUM ION; SODIUM ION; WATER;

ARTICLE; BINDING AFFINITY; BINDING SITE; CHEMICAL BINDING; CHEMICAL STRUCTURE; DENSITY; ENERGY COST; ENVIRONMENT; HYDROPHILICITY; ION TRANSPORT; LIGAND BINDING; LIQUID CULTURE; MOLECULAR DYNAMICS; PARTITION COEFFICIENT; QUANTUM CHEMISTRY; SOLVATION; TEMPERATURE;

BINDING SITES; COMPUTER SIMULATION; HYDROGEN BONDING; IONS; LIGANDS; MODELS, MOLECULAR; OXYGEN; PROTEIN CONFORMATION; PROTEINS; TEMPERATURE; THERMODYNAMICS; WATER;

EID: 56449119366     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja803575y     Document Type: Article

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