P. Cossio

Amortized template-matching of molecular conformations from cryo-electron microscopy images using simulation-based inference

This paper introduces cryoSBI, a method using simulation-based inference to infer biomolecular conformations from cryo-EM images, achieving fast and accurate results.

In silico discovery and biological validation of ligands of FAD synthase, a promising new antimicrobial target

The paper develops an integrative virtual screening protocol to identify ligands for FAD synthase, validates five inhibitors against bacterial pathogens, and demonstrates its cost-effectiveness for drug discovery.