Estimating the accuracy of calculated electron paramagnetic resonance hyperfine couplings for a lytic polysaccharide monooxygenase

Autor: Theibich, Yusuf A., Sauer, Stephan P.A., Leggio, Leila Lo, Hedegård, Erik D.

Publikováno v: In Computational and Structural Biotechnology Journal 2021 19:555-567

Estimating the accuracy of calculated electronparamagnetic resonance hyperfine couplings for alytic polysaccharide monooxygenase

Autor: Theibich, Yusuf A., Sauer, Stephan P. A., Lo Leggio, Leila, Hedegård, Erik D.

Publikováno v: Theibich, Y A, Sauer, S P A, Lo Leggio, L & Hedegård, E D 2021, ' Estimating the accuracy of calculated electronparamagnetic resonance hyperfine couplings for alytic polysaccharide monooxygenase ', Computational and Structural Biotechnology Journal, vol. 19, pp. 555-567 . https://doi.org/10.26434/chemrxiv.13120139.v2, https://doi.org/10.1016/j.csbj.2020.12.014

Lytic polysaccharide monooxygenases (LPMOs) are enzymes that bind polysaccharides followed by an (oxidative) disruption of the polysaccharide surface, thereby boosting depolymerization. The binding process between the LPMO catalytic domain and polysa

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Estimating the accuracy of calculated electron paramagnetic resonance hyperfine couplings for a lytic polysaccharide monooxygenase.

Autor: Theibich YA; Department of Chemistry, University of University, Copenhagen, Denmark., Sauer SPA; Department of Chemistry, University of University, Copenhagen, Denmark., Leggio LL; Department of Chemistry, University of University, Copenhagen, Denmark., Hedegård ED; Division of Theoretical Chemistry, Lund University, Chemical Centre, P. O. Box 124, SE-221 00 Lund, Sweden.

Publikováno v: Computational and structural biotechnology journal [Comput Struct Biotechnol J] 2020 Dec 20; Vol. 19, pp. 555-567. Date of Electronic Publication: 2020 Dec 20 (Print Publication: 2021).