Molecular dynamics studies on native, loop-contracted, and metal ion-substituted azurins

Journal of Physical Chemistry B

Volumn 114, Issue 25, 2010, Pages 8474-8486

  Rajapandian, V ^a   Hakkim, V ^a   Subramanian, V ^a  

^a CENTRAL LEATHER RESEARCH INSTITUTE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; METAL IONS; METALS; MOLECULAR DYNAMICS; PROTEINS; X RAY DIFFRACTION;

ACTIVE SITE; AVERAGE STRUCTURE; AZURINS; BLUE-COPPER PROTEINS; COMPUTATIONAL PROTOCOLS; CORRELATION FUNCTIONALS; HARMONIC FORCE FIELDS; HYBRID EXCHANGE; HYDROGEN BONDED NETWORK; IN-SILICO; MD SIMULATION; METAL ION BINDING; METAL SITES; MOLECULAR DYNAMICS SIMULATIONS; NATIVE PROTEINS; X-RAY DIFFRACTION STRUCTURE; X-RAY DIFFRACTION STUDIES;

DENSITY FUNCTIONAL THEORY;

AZURIN; COBALT; NICKEL;

CHEMISTRY; ENZYME ACTIVE SITE; HYDROGEN BOND; MOLECULAR DYNAMICS; PROTEIN TERTIARY STRUCTURE; X RAY DIFFRACTION;

AZURIN; CATALYTIC DOMAIN; COBALT; HYDROGEN BONDING; MOLECULAR DYNAMICS SIMULATION; NICKEL; PROTEIN STRUCTURE, TERTIARY; X-RAY DIFFRACTION;

EID: 77953986016     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp911301v     Document Type: Article

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