Mononuclear versus binuclear metal-binding sites: Metal-binding affinity and selectivity from PDB survey and DFT/CDM calculations

Journal of the American Chemical Society

Volumn 130, Issue 12, 2008, Pages 3844-3852

  Yang, Tsung Ying ^b   Dudev, Todor ^a   Lim, Carmay ^a,b  

^a INSTITUTE OF BIOMEDICAL SCIENCES   (Taiwan)

^b NATIONAL TSING HUA UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING SITES; DENSITY FUNCTIONAL THEORY; HYDRATION; HYDROLYSIS; ISOMERIZATION; TRANSITION METALS;

COFACTOR MOBILITY; CONTINUUM DIELECTRIC METHOD (CDM); LIGAND BRIDGING; METAL-METAL DISTANCES;

BIMETALS;

ASPARTIC ACID; CATION; GLUTAMIC ACID; LEWIS ACID; MAGNESIUM; METAL ION; TRANSITION ELEMENT;

ARTICLE; BINDING AFFINITY; CONTINUUM DIELECTRIC METHOD; DENSITY FUNCTIONAL THEORY; ELECTRON; MATHEMATICAL ANALYSIS; METAL BINDING; PROTEIN DATA BANK; SEPARATION TECHNIQUE; SUBSTITUTION REACTION;

BINDING SITES; DATABASES, PROTEIN; ELECTROCHEMISTRY; ELECTROSTATICS; LIGANDS; METALLOPROTEASES; METALS; MODELS, CHEMICAL; MOLECULAR CONFORMATION; STEREOISOMERISM;

EID: 41149125938     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja076277h     Document Type: Article

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