Is density functional theory accurate for lytic polysaccharide monooxygenase enzymes?

The lytic polysaccharide monooxygenase (LPMO) enzymes boost polysaccharide depolymerization through oxidative chemistry, which has fueled the hope for more energy-efficient production of biofuel. We have recently proposed a mechanism for the oxidation of the polysaccharide substrate (E. D. Hedegård...

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Veröffentlicht in:	Dalton transactions : an international journal of inorganic chemistry 2020-02, Vol.49 (5), p.151-1512
Hauptverfasser:	Larsson, Ernst D, Dong, Geng, Veryazov, Valera, Ryde, Ulf, Hedegård, Erik D
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical Sciences Coordination compounds Density functional theory Depolymerization Enzymes Kemi Natural Sciences Naturvetenskap Organic chemistry Oxidation Perturbation theory Polysaccharides Substrates Teoretisk kemi Theoretical Chemistry Transition metal compounds
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