Fast and accurate molecular dynamics simulation of a protein using a special-purpose computer. - Yuto Komeiji; Masami Uebayasi; Ryo Takata; Akihiro Shimizu; Keiji Itsukashi; Makoto Taiji (J. Comput. Chem., 1997)

Ab initio fragment molecular orbital (FMO) method applied to analysis of the ligand-protein interaction in a pheromone-binding protein. - Tadashi Nemoto; Dmitri G. Fedorov; Masami Uebayasi; Kenji Kanazawa; Kazuo Kitaura; Yuto Komeiji (Comput. Biol. Chem., 2005)

Ab initio quantum mechanical study of the binding energies of human estrogen receptor with its ligands: An application of fragment molecular orbital method. - Kaori Fukuzawa; Kazuo Kitaura; Masami Uebayasi; Kotoko Nakata; Tsuguchika Kaminuma; Tatsuya Nakano (J. Comput. Chem., 2005)