REACH: A program for coarse-grained biomolecular simulation. - Kei Moritsugu; Jeremy C. Smith (Comput. Phys. Commun., 2009)

Minimum Free Energy Path of Ligand-Induced Transition in Adenylate Kinase. - Yasuhiro Matsunaga; Hiroshi Fujisaki; Tohru Terada; Tadaomi Furuta; Kei Moritsugu; Akinori Kidera (PLoS Comput. Biol., 2012)

Energy Landscape of All-Atom Protein-Protein Interactions Revealed by Multiscale Enhanced Sampling. - Kei Moritsugu; Tohru Terada; Akinori Kidera (PLoS Comput. Biol., 2014)

Flexibility and Cell Permeability of Cyclic Ras-Inhibitor Peptides Revealed by the Coupled Nosé-Hoover Equation. - Kei Moritsugu; Koh Takeuchi; Narutoshi Kamiya; Junichi Higo; Isao Yasumatsu; Yoshifumi Fukunishi; Ikuo Fukuda (J. Chem. Inf. Model., 2021)

Binding and Unbinding Pathways of Peptide Substrates on the SARS-CoV-2 3CL Protease. - Kei Moritsugu; Toru Ekimoto; Mitsunori Ikeguchi; Akinori Kidera (J. Chem. Inf. Model., 2023)