Gordon Bell finalists II - A 55 TFLOPS simulation of amyloid-forming peptides from yeast prion Sup35 with the special-purpose computer system MDGRAPE-3. - Tetsu Narumi; Yousuke Ohno; Noriaki Okimoto; Takahiro Koishi; Atsushi Suenaga; Noriyuki Futatsugi; Ryoko Yanai; Ryutaro Himeno; Shigenori Fujikawa; Makoto Taiji; Mitsuru Ikei (SC, 2006)

High-Performance Drug Discovery: Computational Screening by Combining Docking and Molecular Dynamics Simulations. - Noriaki Okimoto; Noriyuki Futatsugi; Hideyoshi Fuji; Atsushi Suenaga; Gentaro Morimoto; Ryoko Yanai; Yousuke Ohno; Tetsu Narumi; Makoto Taiji (PLoS Comput. Biol., 2009)

Petascale molecular dynamics simulation using the fast multipole method on K computer. - Yousuke Ohno; Rio Yokota; Hiroshi Koyama; Gentaro Morimoto; Aki Hasegawa; Gen Masumoto; Noriaki Okimoto; Yoshinori Hirano; Huda Ibeid; Tetsu Narumi; Makoto Taiji (Comput. Phys. Commun., 2014)

A new set of atomic radii for accurate estimation of solvation free energy by Poisson-Boltzmann solvent model. - Junya Yamagishi; Noriaki Okimoto; Gentaro Morimoto; Makoto Taiji (J. Comput. Chem., 2014)

Assessment and acceleration of binding energy calculations for protein-ligand complexes by the fragment molecular orbital method. - Takao Otsuka; Noriaki Okimoto; Makoto Taiji (J. Comput. Chem., 2015)