Computational protein design repurposed to explore enzyme vitality and help predict antibiotic resistance

HIGHLIGHTS

• who: . and collaborators from the Chapman University, United States have published the research work: Computational protein design repurposed to explore enzyme vitality and help predict antibiotic resistance, in the Journal: (JOURNAL)
• what: To predict potential resistance mutations that use this mechanism, the authors propose methodology borrowed from computational protein design (CPD), a powerful tool to explore and characterize large sets of enzyme mutations (Stoddard, 2016; Leman et_al, 2020; Michael and Simonson, 2022).
• how: For TMP the authors selected the N1-protonated form which has a total charge of +1 because a close interaction . . .
  

   

  

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