QM/MM calculations of EPR hyperfine coupling constants in blue copper proteins

Journal of Molecular Structure: THEOCHEM

Volumn 632, Issue 1-3, 2003, Pages 287-295

  Moon, Seongho ^a   Patchkovskii, Serguei ^b   Salahub, Dennis R ^a,c  

^a UNIVERSITÉ DE MONTRÉAL   (Canada)

^b NATIONAL RESEARCH COUNCIL CANADA   (Canada)

^c UNIVERSITY OF CALGARY   (Canada)

Author keywords

Azurin; Electron paramagnetic resonance; Qm mm; Stellacyanin

Indexed keywords

COPPER PROTEIN;

ARTICLE; CALCULATION; DENSITY; ELECTRIC POTENTIAL; ELECTRON; ELECTRON SPIN RESONANCE; ENZYME ACTIVE SITE; ENZYME STRUCTURE; MOLECULAR MODEL; QUANTUM MECHANICS;

EID: 0242642855     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(03)00306-3     Document Type: Article

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