Different QM/MM Approaches To Elucidate Enzymatic Reactions: Case Study on ppGalNAcT2

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Janos, P; Trnka, T; Kozmon, S; Tvaroska, I; Koca, J, 2016: Different QM/MM Approaches To Elucidate Enzymatic Reactions: Case Study on ppGalNAcT2. JOURNAL OF CHEMICAL THEORY AND COMPUTATION 12(12), p. 6062 - 6076, doi: 10.1021/acs.jctc.6b00531

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