Force fields including charge transfer and local polarization effects: Application to proteins containing multi/heavy metal ions

Journal of Computational Chemistry

Volumn 30, Issue 2, 2009, Pages 191-202

  Sakharov, Dmitri V ^a   Lim, Carmay ^a,b  

^a INSTITUTE OF BIOMEDICAL SCIENCES   (Taiwan)

^b NATIONAL TSING HUA UNIVERSITY   (Taiwan)

Author keywords

Cd2+; Hg2+; MerP; Metalloproteins; Metallothionein 2; Zn2+

Indexed keywords

AMINES; ANGULAR DISTRIBUTION; BINDING ENERGY; BINDING SITES; BIOCHEMISTRY; CHARGE TRANSFER; DYNAMICS; HEAVY METALS; ION EXCHANGE; LIVER; MASS TRANSFER; MERCURY (METAL); METAL IONS; METALS; MOLECULAR DYNAMICS; POLARIZATION; PROTEINS; TRACE ANALYSIS; VAN DER WAALS FORCES; ZINC;

CD2+; HG2+; MERP; METALLOPROTEINS; METALLOTHIONEIN-2; ZN2+;

IONS;

CADMIUM; HEAVY METAL; MERCURY; METALLOPROTEIN; METALLOTHIONEIN; ZINC;

ANIMAL; ARTICLE; BINDING SITE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; HYDROGEN BOND; PROTEIN TERTIARY STRUCTURE; RAT;

ANIMALS; BINDING SITES; CADMIUM; COMPUTER SIMULATION; HYDROGEN BONDING; MERCURY; METALLOPROTEINS; METALLOTHIONEIN; METALS, HEAVY; MODELS, CHEMICAL; PROTEIN STRUCTURE, TERTIARY; RATS; ZINC;

EID: 58249086106     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21048     Document Type: Article

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