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2020 – today
- 2023
[j10]Masatake Sugita
, Fumio Hirata:
Realization of the structural fluctuation of biomolecules in solution: Generalized Langevin mode analysis. J. Comput. Chem. 44(10): 1031-1039 (2023)
2010 – 2019
- 2017
- [j9]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): 2789-2798 (2017) - 2014
- [j8]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): 1347-1355 (2014) - 2012
- [j7]Daniel J. Sindhikara, Norio Yoshida, Fumio Hirata:
Placevent: An algorithm for prediction of explicit solvent atom distribution - Application to HIV-1 protease and F-ATP synthase. J. Comput. Chem. 33(18): 1536-1543 (2012)
2000 – 2009
- 2008
- [j6]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): 871-882 (2008) - 2006
- [j5]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): 453-462 (2006) - 2005
- [c1]Fumio Hirata:
New Methodologies in Computational Nanoscience Facilitated by the GRID Computing Environment. ICMENS 2005: 121
1990 – 1999
- 1999
- [j4]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): 928-936 (1999) - 1998
- [j3]Masahiro Kinoshita, Yuko Okamoto, Fumio Hirata:
Calculation of solvation free energy using RISM theory for peptide in salt solution. J. Comput. Chem. 19(15): 1724-1735 (1998) - 1997
- [j2]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): 1320-1326 (1997)
1980 – 1989
- 1986
- [j1]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): 165-173 (1986)
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