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

PLOS COMPUTATIONAL BIOLOGY

Trnka, T; Kozmon, S; Tvaroska, I; Koca, J, 2015: Stepwise Catalytic Mechanism via Short-Lived Intermediate Inferred from Combined QM/MM MERP and PES Calculations on Retaining Glycosyltransferase ppGalNAcT2. PLOS COMPUTATIONAL BIOLOGY 11(4), doi: 10.1371/journal.pcbi.1004061

Research Groups:

• Computational Chemistry - Jaroslav Koča

CEITEC authors:

• Stanislav Kozmon, Ph.D.