Computational model for the acylation step of the β-lactam ring: Potential application for l,d-transpeptidase 2 in mycobacterium tuberculosis - Fakhar, Zeynab; Govender, Thavendran; Lamichhane, Gyanu; Maguire, Glenn E.M.; Kruger, Hendrik G.; Honarparvar, Bahareh (Journal of molecular structure, 2017)
Keywords: Chemical hardness (η); Density Functional Theory (DFT); Fukui indices (fk+, fk−); L,D-transpeptidase; Mycobacterium tuberculosis (Mtb); Softness (S); β-lactam; Softness (S); L,D-transpeptidase; Density Functional Theory (DFT); Chemical hardness (η); Fukui indices (fk+, fk−); β-lactam; Mycobacterium tuberculosis (Mtb)