Toru Ekimoto

The paper develops a hydrogen-bond correction to improve RNA force fields' accuracy in modeling noncanonical motifs like the MAPT A-bulge.

The paper introduces CoMPLip, a method that improves membrane-protein structure prediction by co-folding proteins with lipid molecules during AlphaFold 3 predictions, enhancing ligand-pose prediction and conformational sampling.

This study uses molecular dynamics to analyze inhibitor binding to DHFR, showing that reduced activity correlates with multiple-bound states on the protein surface.