A test of ligand field molecular mechanics as an efficient alternative to QM/MM for modelling metalloproteins: The structures of oxidised type I copper centres

Chemical Communications

Volumn , Issue 24, 2006, Pages 2551-2553

  Deeth, Robert James ^a  

^a UNIVERSITY OF WARWICK   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COPPER; LIGAND; METALLOPROTEIN; TRANSITION ELEMENT;

ARTICLE; COMPUTER MODEL; DENSITY FUNCTIONAL THEORY; MOLECULAR MECHANICS; OXIDATION; PROTEIN ANALYSIS; PROTEIN STRUCTURE; QUANTUM MECHANICS;

EID: 33745185139     PISSN: 13597345     EISSN: None     Source Type: Journal    
DOI: 10.1039/b604290b     Document Type: Article

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