Marco A. Deriu

The paper introduces edENM, an elastic network model refined for DNA, RNA, and protein-nucleic acid complexes, showing better agreement with experimental data than previous models.

VirtuousPocketome screens protein-ligand complexes to identify similar binding pockets, identifying 145 proteins with similar sites to a bitter taste receptor complexed with strychnine.

This study uses molecular dynamics and network analysis to investigate the allosteric activation mechanisms of the human TAS2R46 receptor under different conditions.