BioinformaticsPLoS Computational BiologyPeer-reviewed
Covalent Docking and Molecular Dynamics Simulations Reveal the Specificity-Shifting Mutations Ala237Arg and Ala237Lys in TEM Beta-Lactamase
Gabriel Monteiro da Silva, Jordan Yang, Bunlong Leang…·Brenda M. Rubenstein
The paper identifies two mutations in TEM beta-lactamase that shift drug specificity through salt bridges, validated by simulations and experiments.
7 citations