Computational model for the acylation step of the β-lactam ring: Potential application for l,d-transpeptidase 2 in mycobacterium tuberculosis
Keywords: نظریه کاربردی تراکم (DFT); L,D-transpeptidase; Mycobacterium tuberculosis (Mtb); β-lactam; Density Functional Theory (DFT); Chemical hardness (η); Softness (S); Fukui indices (fk+, fkâ);