José A. Villegas

High-throughput Virtual Screen of Endocrine-disrupting Chemicals Identifies Disruptors of EGFR Signaling

This study identifies EGFR-disrupting chemicals using virtual screening and experimental validation, finding two compounds inhibit EGFR kinase activity and affect cell migration.

A pharmacological modality to sequester homomeric proteins

This paper introduces PINCHs, bifunctional molecules that sequester homomeric proteins by inducing polymerization, demonstrating efficacy in knocking down protein function in cells.

Mapping the Energy Landscape of PROTAC-Mediated Protein-protein Interactions

The paper develops a method to restrict the search space for PROTAC-mediated protein-protein interactions using a cyclic coordinate descent algorithm, showing the global minimum corresponds to native-like conformations.

Desolvation Energy Explains Partitioning of Client Proteins into Condensates

The paper shows desolvation energy, not pairwise interactions, explains protein partitioning into phase-separated condensates using experimental data from nuclear pore complex and FUS systems.