Covalent docking and molecular dynamics simulations reveal the specificity-shifting mutations Ala237Arg and Ala237Lys in TEM beta-lactamase
Table 1
Relative docking scores (RDS) and relative fitness values (when applicable) for TEM-Ala237Arg/Lys in complex with ampicillin (A), cefixime (C), ceftibuten (Cet), and carumonam (Car).