A comparative study of galactose oxidase and active site analogs based on QM/MM Car-Parrinello simulations

Journal of Biological Inorganic Chemistry

Volumn 5, Issue 2, 2000, Pages 236-250

  Rothlisberger, Ursula ^a   Carloni, Paolo ^b,d   Doclo, Karel ^a   Parrinello, Michele ^c  

^a LABORATORY OF INORGANIC CHEMISTRY   (Switzerland)

^b SISSA   (Italy)

^c MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

^d INTERNATIONAL CENTRE FOR GENETIC ENGINEERING AND BIOTECHNOLOGY   (Italy)

Author keywords

Car Parrinello simulations; Copper enzymes; Density functional calculations; Galactose oxidase; QM MM simulations; Quantum classical calculations

Indexed keywords

GALACTOSE OXIDASE;

ARTICLE; CATALYSIS; COMPLEX FORMATION; ENZYME ACTIVE SITE; OXIDATION REDUCTION REACTION; PRIORITY JOURNAL; PROTON TRANSPORT;

EID: 0034017752     PISSN: 09498257     EISSN: None     Source Type: Journal    
DOI: 10.1007/s007750050368     Document Type: Article

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