The catalytic role of water in the binding site of L,D-transpeptidase 2 within acylation mechanism: A QM/MM (ONIOM) modelling

Collins U. Ibeji, Gideon F. Tolufashe, Thandokuhle Ntombela, Thavendran Govender, Glenn E.M. Maguire, Gyanu Lamichhane, Hendrik G. Kruger, Bahareh Honarparvar

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Medicine & Life Sciences