| 2008 |
| 7 | EE | Tatsuhiko Miyata,
Fumio Hirata:
Combination of molecular dynamics method and 3D-RISM theory for conformational sampling of large flexible molecules in solution.
Journal of Computational Chemistry 29(6): 871-882 (2008) |
| 2006 |
| 6 | EE | Norio Yoshida,
Fumio Hirata:
A new method to determine electrostatic potential around a macromolecule in solution from molecular wave functions.
Journal of Computational Chemistry 27(4): 453-462 (2006) |
| 2005 |
| 5 | EE | Fumio Hirata:
New Methodologies in Computational Nanoscience Facilitated by the GRID Computing Environment.
ICMENS 2005: 121 |
| 1999 |
| 4 | EE | 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.
Journal of Computational Chemistry 20(9): 928-936 (1999) |
| 1998 |
| 3 | EE | Masahiro Kinoshita,
Yuko Okamoto,
Fumio Hirata:
Calculation of solvation free energy using RISM theory for peptide in salt solution.
Journal of Computational Chemistry 19(15): 1724-1735 (1998) |
| 1997 |
| 2 | EE | 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.
Journal of Computational Chemistry 18(10): 1320-1326 (1997) |
| 1986 |
| 1 | EE | Steven L. Gallion,
Ronald M. Levy,
Paul K. Weiner,
Fumio Hirata:
Implementation of a macromolecular mechanics program on a cyber 205 supercomputer.
Computers & Chemistry 10(3): 165-173 (1986) |