Covalent docking and molecular dynamics simulations reveal the specificity-shifting mutations Ala237Arg and Ala237Lys in TEM beta-lactamase.

Silva GMD, Yang J, Leang B, Huang J, Weinreich DM, Rubenstein BM
PLoS Comput Biol. 2022 Jun 27;18(6):e1009944. doi: 10.1371/journal.pcbi.1009944. eCollection 2022 Jun. PubMed Article

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