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Volumn 324, Issue 1-2, 2001, Pages 21-26

Hybrid quantum mechanics/molecular mechanics studies of the active site of the blue copper proteins amicyanin and rusticyanin

(4) Comba, Peter a Lledós, Agustí b Maseras, Feliu b Remenyi, Rainer a

a UNIVERSITY OF HEIDELBERG (Germany)

b UNIVERSITAT AUTÒNOMA DE BARCELONA (Spain)

Author keywords

Approximate density functional theory; Copper(II); Cupredoxin; IMOMM; Metalloprotein; Structures

Indexed keywords

COPPER COMPOUNDS; DENSITY FUNCTIONAL THEORY; MECHANICS; MOLECULAR MODELING; QUANTUM THEORY; STRUCTURE (COMPOSITION);

BLUE-COPPER PROTEINS; CUPREDOXIN; IMOMM; METALLOPROTEIN; OPTIMIZED STRUCTURES; PROTEIN BACKBONE; QUANTUM MECHANICS/MOLECULAR MECHANICS; X RAY CRYSTAL STRUCTURES;

PROTEINS;

AMICYANIN; CARRIER PROTEIN; COPPER COMPLEX; RUSTICYANIN;

ACCURACY; ARTICLE; BIOMECHANICS; CALCULATION; CRYSTAL STRUCTURE; ELECTRON TRANSPORT; MOLECULAR DYNAMICS; OXIDATION; PROTEIN STRUCTURE; QUANTUM MECHANICS; STRUCTURE ANALYSIS; X RAY CRYSTALLOGRAPHY;

EID: 0035851573 PISSN: 00201693 EISSN: None Source Type: Journal
DOI: 10.1016/S0020-1693(01)00497-2 Document Type: Article

Times cited : (30)

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