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Author

O. Yáñez

2 papers indexed here

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Aug 2026

Rational design of highly biocompatible Eu3+ luminescent probes: a combined SOC-NEVPT2 theoretical and experimental study of DNA/protein interactions.

A series of Eu3+ complexes bearing phenanthroline- and dppz-based ligands (dppz = dipyrido[3,2-a:2',3'-c]phenazine) was designed to establish structure-property relationships between ligand structure, photophysical properties, and biological activity. Spectroscopic studies revealed that ligand functionalization strongl...

Plinio Cantero-López, Karen Bolaños, J. J. Santoyo-Flores et al. · 0 citations
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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