Article

Dynamical Responses Predict a Distal Site that Modulates Activity in an Antibiotic Resistance Enzyme

2024-04-29

Abstract excerpt

β-Lactamases, which hydrolyse β-lactam antibiotics, are key determinants of antibiotic resistance. Predicting the sites and effects of distal mutations in enzymes is challenging. For β-lactamases, the ability to make such predictions would contribute to understanding activity against, and development of, antibiotics and inhibitors to combat resistance. Here, using dynamical non-equilibrium molecular dynamics (D-NE...

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Literature Corpus work: f754328c-e458-55e9-8398-6e55e72c270a
DOI: 10.1101/2024.04.29.591639

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