Zobrazeno 1 - 10
of 12
pro vyhledávání: '"Hideaki Furusawa"'
Publikováno v:
Particle & Particle Systems Characterization. 31:1122-1126
Autor:
Hideaki Furusawa, T. Ebisuzaki, Bruce G. Elmegreen, Ryutaro Susukita, Kenji Yasuoka, T. Crawford, Roger H. Koch, M. E. Schabes, T. Narumi
Publikováno v:
IBM Journal of Research and Development. 48:199-207
The use of accelerator hardware for micromagnetics simulations is described, along with some initial results. The accelerator calculates the dipole interactions at 400 gigaflops, allowing large simulations to be performed with arbitrary geometries. T
Autor:
Ryutaro Susukita, Hideaki Furusawa, Yoshinao Kobayashi, Kato Kenya, Kenji Yasuoka, Geoffrey D. McNiven, Bruce G. Elmegreen, Takahiro Koishi, Toshikazu Ebisuzaki, Tetsu Narumi, Atsushi Kawai
Publikováno v:
Computer Physics Communications. 155:115-131
We developed MDGRAPE-2, a hardware accelerator that calculates forces at high speed in molecular dynamics (MD) simulations. MDGRAPE-2 is connected to a PC or a workstation as an extension board. The sustained performance of one MDGRAPE-2 board is 15
Autor:
Hideaki Furusawa, Toshikazu Ebisuzaki, Ryutaro Susukita, Masayuki Hata, Kenji Yasuoka, Saburo Neya, Atsushi Kawai, Noriyuki Futatsugi, Takahiro Koishi, Tetsu Narumi, Noriaki Okimoto, Tyuji Hoshino, Atsushi Suenaga, Yasuyuki Fujii
Publikováno v:
The Journal of Physical Chemistry B. 107:10274-10283
Molecular dynamics simulation was performed on class A β-lactamase binding penicillin G (pen G). The structure of the acyl enzyme intermediate (AEI) was derived from the crystallographic data of the clavulanic acid bound enzyme. To execute the simul
Autor:
Atsushi Kawai, Masayuki Hata, Kazunori Yamanaka, Hideaki Furusawa, Kenji Yasuoka, Noriaki Okimoto, Tyuji Hoshino, Atsushi Suenaga, Tetsu Narumi, Noriyuki Futatsugi, Yoshinori Hirano, Ryutaro Susukita, Takahiro Koishi, Toshikazu Ebisuzaki
Publikováno v:
Chem-Bio Informatics Journal. 3:1-11
We investigated the conformational change in the human prion protein owing to an Ala 117 →Val mutation by using molecular dynamics simulations. This mutation is related to Gerstmann-Straussler-Sheinker disease, one of the familial prion diseases. F
Autor:
Ryutaro Susukita, Hideaki Furusawa, Tetsu Narumi, Toshikazu Ebisuzaki, Takahiro Koishi, Kenji Yasuoka
Publikováno v:
Journal of Non-Crystalline Solids. :332-336
Molecular dynamics (MD) simulations of the solidification process of an NaCl cluster are carried out. Voronoi analysis is employed to distinguish a crystal nucleus from molten NaCl. In the early stage of simulation, some small solid clusters of size
Autor:
Ryutaro Susukita, Roger H. Koch, Bruce G. Elmegreen, Hideaki Furusawa, Toshikazu Ebisuzaki, Kenji Yasuoka, Tetsu Narumi
Publikováno v:
Journal of Magnetism and Magnetic Materials. 250:39-48
The time development of an array of magnetic dipoles representing the internal magnetization of a thin film is calculated using a hardware accelerator, MD-GRAPE, for the determination of the magnetic vector potential. The results for single-layer arr
Autor:
Noriaki Okimoto, Atsushi Suenaga, Takahiro Koishi, Atsushi Kawai, Toshikazu Ebisuzaki, Kenji Yasuoka, Tetsu Narumi, Ryutaro Susukita, Noriyuki Futatsugi, Xiao Cheng Zeng, Hideaki Furusawa, Soohaeng Yoo
Publikováno v:
Physical Review Letters. 93
We report large-scale atomistic simulation of midrange nanoscale hydrophobic interaction, manifested by the nucleation of nanobubble between nanometer-sized hydrophobes at constrained equilibrium. When the length scale of the hydrophobes is greater t
Autor:
Ryutaro Susukita, Hideaki Furusawa, Atsushi Kawai, Yoshinori Hirano, Mariko Hatakeyama, Makoto Taiji, Toshikazu Ebisuzaki, Akihiko Konagaya, Tetsu Narumi, Anatoly Kiyatkin, Boris N. Kholodenko, Kenji Yasuoka, Atsushi Suenaga, Yousuke Ohno, Takahiro Koishi, Noriyuki Futatsugi, Noriaki Okimoto, Naoki Takada, Jan B. Hoek
Publikováno v:
The Journal of biological chemistry. 279(6)
Activated receptor tyrosine kinases bind the Shc adaptor protein through its N-terminal phosphotyrosine-binding (PTB) and C-terminal Src homology 2 (SH2) domains. After binding, Shc is phosphorylated within the central collagen-homology (CH) linker r
Publikováno v:
WCC 2000 - ICSP 2000. 2000 5th International Conference on Signal Processing Proceedings. 16th World Computer Congress 2000.
We developed WINE-2, a 46 TFLOPS computer, to accelerate molecular dynamics (MD) simulations. We need a huge computational power to understand the dynamics of large and complex molecules such as those of proteins and nucleic acids. WINE-2 is a specia