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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Denisse Bravo

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Open access Jul 2026

Mutagenesis and free energy calculations to optimize the ProRgpB inhibitor loop and identify variants with higher affinity for Porphyromonas gingivalis RgpB

An in silico framework to accelerate the rational design of propeptide-based inhibitors and the development of novel therapeutic approaches targeting RgpB is established and a significant increase in the relative binding affinity for the selected variants compared to the wild type is confirmed.

S. Tapia, O. Yáñez, Olimpo García-Beltrán et al. · 0 citations

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