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    • openAccess   QM/MM Study of L-Lactate Oxidation by Flavocytochrome b2 

      Ruiz-Pernía, José Javier; de la LANDE, Aurélien; Lévy, B.; Lederer, F.; Demachy, I.; Moliner, Vicent; Guillet, Natacha Royal Society of Chemistry (2016-05-18)
      In this work, we have performed molecular dynamics simulations using a hybrid Quantum Mechanics/Molecular Mechanics (QM/MM) scheme to study the mechanism of L-lactate oxidation by flavocytochrome b2 (Fcb2). Our results ...