A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutants

Proteins: Structure, Function and Genetics

Volumn 62, Issue 1, 2006, Pages 262-269

  Barone, Vincenzo ^a   De Rienzo, Francesca ^b,c   Langella, Emma ^a   Menziani, M Cristina ^b   Rega, Nadia ^a   Sola, Marco ^b,c  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^b UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

^c CNR Consiglio Nazionale delle Ricerche   (Italy)

Author keywords

ab initia calc.; ONIOM PCM approach; Statistical analysis; Thermodynamics

Indexed keywords

AZURIN; COPPER ION; COPPER PROTEIN; CUPREDOXIN; MUTANT PROTEIN; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; CONTROLLED STUDY; ENERGY; MOLECULAR DYNAMICS; NONHUMAN; OXIDATION; PREDICTION; PRIORITY JOURNAL; QUANTUM MECHANICS; REDUCTION; SOLVATION; STATISTICAL ANALYSIS; THERMODYNAMICS;

EID: 84962476793     PISSN: 08873585     EISSN: None     Source Type: Journal    
DOI: 10.1002/prot.20772     Document Type: Article

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