Stepwise Catalytic Mechanism via Short-Lived Intermediate Inferred from Combined QM/MM MERP and PES Calculations on Retaining Glycosyltransferase ppGalNAcT2

• Tomáš Trnka,

  Affiliations Central European Institute of Technology (CEITEC), Masaryk University, Brno, Czech Republic, Faculty of Science—National Centre for Biomolecular Research, Masaryk University, Brno, Czech Republic

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• Stanislav Kozmon,

  Affiliations Central European Institute of Technology (CEITEC), Masaryk University, Brno, Czech Republic, Faculty of Science—National Centre for Biomolecular Research, Masaryk University, Brno, Czech Republic, On leave from the Institute of Chemistry, Slovak Academy of Sciences, Bratislava, Slovak Republic

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• Igor Tvaroška,

  Affiliations Central European Institute of Technology (CEITEC), Masaryk University, Brno, Czech Republic, Institute of Chemistry, Slovak Academy of Sciences, Bratislava, Slovak Republic

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• Jaroslav Koča

  * E-mail: jkoca@ceitec.cz

  Affiliations Central European Institute of Technology (CEITEC), Masaryk University, Brno, Czech Republic, Faculty of Science—National Centre for Biomolecular Research, Masaryk University, Brno, Czech Republic

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