Francisco Javier Luque

Assessing the ligand native-like pose using a quantum mechanical-derived hydropathic score for protein-ligand complementarity

The paper evaluates hydropathic scoring functions to identify near-native ligand-protein poses using a benchmark dataset of 1000 complexes, achieving 90% predictive accuracy when accounting for conformational stress.

N-benzamides as Influenza Virus Fusion Inhibitors Acting on H1 and H5 Hemagglutinins

This paper identifies N-benzamides as inhibitors of influenza virus fusion, showing efficacy against H1 and H5 hemagglutinins with low EC50 values and high selectivity.