Zn protein simulations including charge transfer and local polarization effects

Journal of the American Chemical Society

Volumn 127, Issue 13, 2005, Pages 4921-4929

  Sakharov, Dmitri V ^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

COMPUTER SIMULATION; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; POLARIZATION; POTENTIAL ENERGY; PROTEINS; REACTION KINETICS; ZINC;

METAL IONS; METALLOPROTEINS; MOLECULAR DYNAMICS SIMULATIONS; POLARIZATION EFFECTS;

CHARGE TRANSFER;

CYSTINE; HISTIDINE; PROTEIN; ZINC;

ARTICLE; BINDING SITE; CHARGE TRANSFER; ENERGY; ENZYME MECHANISM; LIGAND BINDING; MATHEMATICAL ANALYSIS; METAL BINDING; POLARIZATION; POTENTIAL ENERGY FUNCTION; PROTEIN FOLDING; PROTEIN FUNCTION; SIMULATION; STRUCTURE ANALYSIS;

BINDING SITES; CATIONS, DIVALENT; COMPUTER SIMULATION; CYSTEINE; HISTIDINE; METALLOPROTEINS; MODELS, MOLECULAR; OLIGOPEPTIDES; PROTEIN CONFORMATION; THERMODYNAMICS; ZINC; ZINC FINGERS;

EID: 16844373030     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0429115     Document Type: Article

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