Fumio Hirata

Publication Activity (10 Years)

Years Active: 1986-2023
Publications (10 Years): 2

Top Topics

Massively Parallel

Graphics Processing Units

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Masatake Sugita, Fumio Hirata
Realization of the structural fluctuation of biomolecules in solution: Generalized Langevin mode analysis. J. Comput. Chem. 44 (10) (2023)
Takeshi Hasegawa, Masatake Sugita, Takeshi Kikuchi, Fumio Hirata
A Systematic Analysis of the Binding Affinity between the Pim-1 Kinase and Its Inhibitors Based on the MM/3D-RISM/KH Method. J. Chem. Inf. Model. 57 (11) (2017)
Yutaka Maruyama, Norio Yoshida, Hiroto Tadano, Daisuke Takahashi, Mitsuhisa Sato, Fumio Hirata
Massively parallel implementation of 3D-RISM calculation with volumetric 3D-FFT. J. Comput. Chem. 35 (18) (2014)
Daniel J. Sindhikara, Norio Yoshida, Fumio Hirata
: An algorithm for prediction of explicit solvent atom distribution - Application to HIV-1 protease and F-ATP synthase. J. Comput. Chem. 33 (18) (2012)
Tatsuhiko Miyata, Fumio Hirata
Combination of molecular dynamics method and 3D-RISM theory for conformational sampling of large flexible molecules in solution. J. Comput. Chem. 29 (6) (2008)
Norio Yoshida, Fumio Hirata
A new method to determine electrostatic potential around a macromolecule in solution from molecular wave functions. J. Comput. Chem. 27 (4) (2006)
Fumio Hirata
New Methodologies in Computational Nanoscience Facilitated by the GRID Computing Environment. ICMENS (2005)
Andriy Kovalenko, Seiichiro Ten-no, Fumio Hirata
Solution of three-dimensional reference interaction site model and hypernetted chain equations for simple point charge water by modified method of direct inversion in iterative subspace. J. Comput. Chem. 20 (9) (1999)
Masahiro Kinoshita, Yuko Okamoto, Fumio Hirata
Calculation of solvation free energy using RISM theory for peptide in salt solution. J. Comput. Chem. 19 (15) (1998)
Masahiro Kinoshita, Yuko Okamoto, Fumio Hirata
Calculation of hydration free energy for a solute with many atomic sites using the RISM theory: A robust and efficient algorithm. J. Comput. Chem. 18 (10) (1997)
Steven L. Gallion, Ronald M. Levy, Paul K. Weiner, Fumio Hirata
Implementation of a macromolecular mechanics program on a cyber 205 supercomputer. Comput. Chem. 10 (3) (1986)