Covalent docking and molecular dynamics simulations reveal the specificity-shifting mutations Ala237Arg and Ala237Lys in TEM beta-lactamase
Fig 4
Comparison between changes in fitness upon treatment with either ampicillin (left) or cefixime (right) for E. coli carrying mutations in TEM’s codon 237 and the relative docking scores of each compound bound to each mutant structure.
Results are tabulated in S4 Table.