Kunihiro Kitamura - researchr alias

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Viewing Publication 1 - 8 from 8

2014

Binding Free-Energy Calculation Is a Powerful Tool for Drug Optimization: Calculation and Measurement of Binding Free Energy for 7-Azaindole Derivatives to Glycogen Synthase Kinase-3βKunihiro Kitamura, Yunoshin Tamura, Tomokazu Ueki, Koji Ogata, Shigeho Noda, Ryutaro Himeno, Hiroshi Chuman. jcisd, 54(6):1653-1660, 2014. [doi]

2003

Development of hardware accelerator for molecular dynamics simulations: A computation board that calculates nonbonded interactions in cooperation with fast multipole methodTakashi Amisaki, Shinjiro Toyoda, Hiroh Miyagawa, Kunihiro Kitamura. jcc, 24(5):582-592, 2003. [doi]

2002

A novel parallel algorithm for large-scale Fock matrix construction with small locally distributed memory architectures: RT parallel algorithmHajime Takashima, So Yamada, Shigeru Obara, Kunihiro Kitamura, Shinjiro Inabata, Nobuaki Miyakawa, Kazutoshi Tanabe, Umpei Nagashima. jcc, 23(14):1337-1346, 2002. [doi]

1999

MOE: A Special-Purpose Parallel Computer for High-Speed, Large-Scale Molecular Orbital CalculationKoji Hashimoto, Hiroto Tomita, Koji Inoue, Katsuhiko Metsugi, Kazuaki Murakami, Shinjiro Inabata, So Yamada, Nobuaki Miyakawa, Hajime Takashima, Kunihiro Kitamura, Shigeru Obara, Takashi Amisaki, Kazutoshi Tanabe, Umpei Nagashima. sc 1999: 58 [doi]

Is large-scale ab initio Hartree-Fock calculation chemically accurate? Toward improved calculation of biological molecule propertiesHajime Takashima, Kunihiro Kitamura, Kazutoshi Tanabe, Umpei Nagashima. jcc, 20(4):443-454, 1999. [doi]

Development of MD Engine: High-speed accelerator with parallel processor design for molecular dynamics simulationsShinjiro Toyoda, Hiroh Miyagawa, Kunihiro Kitamura, Takashi Amisaki, Eiri Hashimoto, Hitoshi Ikeda, Akihiro Kusumi, Nobuaki Miyakawa. jcc, 20(2):185-199, 1999. [doi]

1995

Error Evaluation in the Disign of a Special-Purpose Processor That Calculates Nonbonded Forces in Molecular Dynamics SimulationsTakashi Amisaki, Takaji Fujiwara, Akihiro Kusumi, Hiroo Miyagawa, Kunihiro Kitamura. jcc, 16(9):1120-1130, 1995.

1994

Application of a High-Performance, Special-Purpose Computer, GRAPE-2A, to Molecular DynamicsJunichi Higo, Shigeru Endo, Kuniaki Nagayama, Tomoyoshi Ito, Toshiyuki Fukushige, Toshikazu Ebisuzaki, Daiichiro Sugimoto, Hiroo Miyagawa, Kunihiro Kitamura, Junichiro Makino. jcc, 15(12):1372-1376, 1994.

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