Molecular dynamics simulations of Zn2+ coordination in protein binding sites

Journal of Chemical Physics

Volumn 132, Issue 20, 2010, Pages

  Tjörnhammar, Richard ^a   Edholm, Olle ^a  

^a ALBANOVA UNIVERSITY CENTER   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING FREE ENERGY; COORDINATION NUMBER; FREE ENERGY OF BINDING; HORSE LIVER ALCOHOL DEHYDROGENASE; MOLECULAR DYNAMICS SIMULATIONS; POLYPEPTIDE BACKBONES; PROTEIN-BINDING SITES; QUANTUM MECHANICAL CLUSTERS; STRUCTURAL FLUCTUATIONS; X-RAY ABSORPTION FINE STRUCTURE SPECTRUM; X-RAY STRUCTURE; ZINC BINDING; ZINC IONS;

BINDING SITES; BIOCHEMISTRY; FREE ENERGY; MOLECULAR DYNAMICS; OXYGEN; PEPTIDES; QUANTUM THEORY; SULFUR; ZINC;

BINDING ENERGY;

ALANINE; ALCOHOL DEHYDROGENASE; AMINO ACID; CYSTEINE; PROTEIN; ZINC;

ARTICLE; BINDING SITE; CHEMISTRY; METABOLISM; MOLECULAR DYNAMICS; PROTEIN BINDING; PROTEIN CONFORMATION;

ALANINE; ALCOHOL DEHYDROGENASE; AMINO ACIDS; BINDING SITES; CYSTEINE; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEINS; ZINC;

EID: 77953075511     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3428381     Document Type: Article

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