CysxHisy-Zn2+ interactions: Possibilities and limitations of a simple pairwise force field

Journal of Molecular Graphics and Modelling

Volumn 24, Issue 5, 2006, Pages 404-411

  Calimet, Nicolas ^a   Simonson, Thomas ^a  

^a LABORATOIRE DE BIOCHIMIE   (France)

Author keywords

Cys3His Zn2+; Force field; Molecular dynamics

Indexed keywords

ASSOCIATION REACTIONS; CHARGE TRANSFER; COMPUTER SIMULATION; DATABASE SYSTEMS; MOLECULAR DYNAMICS; PROTEINS;

CHARGE DISTRIBUTIONS; FORCE FIELD; MOLECULAR DYNAMICS SIMULATION;

ZINC;

CYSTEINE; HISTIDINE; ISOPROTEIN; PROTEIN KINASE C; SOLVENT; ZINC; ZINC FINGER PROTEIN;

ARTICLE; BINDING AFFINITY; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; GEOMETRY; ION EXCHANGE; METAL BINDING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN DATA BANK; PROTEIN DOMAIN; PROTEIN FOLDING; PROTEIN STRUCTURE; PROTON TRANSPORT; SEQUENCE HOMOLOGY; SIMULATION; SURFACE CHARGE;

COMPUTER SIMULATION; CYSTEINE; HISTIDINE; LIGANDS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; PROTONS; THERMODYNAMICS; ZINC;

EID: 33644625284     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2005.10.006     Document Type: Article

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