Fumio Hirata

According to our database, Fumio Hirata authored at least 11 papers between 1986 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2023

Realization of the structural fluctuation of biomolecules in solution: Generalized Langevin mode analysis.

Masatake Sugita, Fumio Hirata

J. Comput. Chem., 2023

2017

A Systematic Analysis of the Binding Affinity between the Pim-1 Kinase and Its Inhibitors Based on the MM/3D-RISM/KH Method.

Takeshi Hasegawa, Masatake Sugita, Takeshi Kikuchi, Fumio Hirata

J. Chem. Inf. Model., November, 2017

2014

Massively parallel implementation of 3D-RISM calculation with volumetric 3D-FFT.

Yutaka Maruyama, Norio Yoshida, Hiroto Tadano, Daisuke Takahashi, Mitsuhisa Sato, Fumio Hirata

J. Comput. Chem., 2014

2012

<i>Placevent</i>: An algorithm for prediction of explicit solvent atom distribution - Application to HIV-1 protease and F-ATP synthase.

Daniel J. Sindhikara, Norio Yoshida, Fumio Hirata

J. Comput. Chem., 2012

2008

Combination of molecular dynamics method and 3D-RISM theory for conformational sampling of large flexible molecules in solution.

Tatsuhiko Miyata, Fumio Hirata

J. Comput. Chem., 2008

2006

A new method to determine electrostatic potential around a macromolecule in solution from molecular wave functions.

Norio Yoshida, Fumio Hirata

J. Comput. Chem., 2006

2005

New Methodologies in Computational Nanoscience Facilitated by the GRID Computing Environment.

Fumio Hirata

Proceedings of the 2005 International Conference on MEMS, 2005

1999

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.

Andriy Kovalenko, Seiichiro Ten-no, Fumio Hirata

J. Comput. Chem., 1999

1998

Calculation of solvation free energy using RISM theory for peptide in salt solution.

Masahiro Kinoshita, Yuko Okamoto, Fumio Hirata

J. Comput. Chem., 1998

1997

Calculation of hydration free energy for a solute with many atomic sites using the RISM theory: A robust and efficient algorithm.

Masahiro Kinoshita, Yuko Okamoto, Fumio Hirata

J. Comput. Chem., 1997

1986

Implementation of a macromolecular mechanics program on a cyber 205 supercomputer.

Steven L. Gallion, Ronald M. Levy, Paul K. Weiner, Fumio Hirata

Comput. Chem., 1986