Drug binding dynamics of the dimeric SARS-CoV-2 main protease, determined by molecular dynamics simulation von Komatsu, Teruhisa S., Okimoto, Noriaki, Koyama, Yohei M., Hirano, Yoshinori, Morimoto, Gentaro, Ohno, Yousuke, Taiji, Makoto

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High-performance drug discovery: computational screening by combining docking and molecular dynamics simulations von Okimoto, Noriaki, Futatsugi, Noriyuki, Fuji, Hideyoshi, Suenaga, Atsushi, Morimoto, Gentaro, Yanai, Ryoko, Ohno, Yousuke, Narumi, Tetsu, Taiji, Makoto

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MDGRAPE-4: a special-purpose computer system for molecular dynamics simulations von Ohmura, Itta, Morimoto, Gentaro, Ohno, Yousuke, Hasegawa, Aki, Taiji, Makoto

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Tyr-317 Phosphorylation Increases Shc Structural Rigidity and Reduces Coupling of Domain Motions Remote from the Phosphorylation Site as Revealed by Molecular Dynamics Simulations von Suenaga, Atsushi, Kiyatkin, Anatoly B., Hatakeyama, Mariko, Futatsugi, Noriyuki, Okimoto, Noriaki, Hirano, Yoshinori, Narumi, Tetsu, Kawai, Atsushi, Susukita, Ryutaro, Koishi, Takahiro, Furusawa, Hideaki, Yasuoka, Kenji, Takada, Naoki, Ohno, Yousuke, Taiji, Makoto, Ebisuzaki, Toshikazu, Hoek, Jan B., Konagaya, Akihiko, Kholodenko, Boris N.

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MDGRAPE-4: a special-purpose computer system for molecular dynamics simulations von Ohmura, Itta, Morimoto, Gentaro, Ohno, Yousuke, Hasegawa, Aki, Taiji, Makoto

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Petascale molecular dynamics simulation using the fast multipole method on K computer von Ohno, Yousuke, Yokota, Rio, Koyama, Hiroshi, Morimoto, Gentaro, Hasegawa, Aki, Masumoto, Gen, Okimoto, Noriaki, Hirano, Yoshinori, Ibeid, Huda, Narumi, Tetsu, Taiji, Makoto

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IL-17 regulates Toll-like receptor-mediated activation of dendritic cells (TUM4P.905) von Terada, Satoshi, Wakita, Daiko, Sumida, Kentaro, Kaneumi, Shun, Masuko, Kazutaka, Ohtake, Junya, Kishikawa, Takuto, Ohno, Yousuke, Kita, Toshiyuki, Kitamura, Hidemitsu

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NK1R- and NK2R-dependent neuropeptide signaling regulates Type-1 immunity through activation of dendritic cells (INC6P.336) von Kaneumi, Shun, Ohtake, Junya, Masuko, Kazutaka, Sumida, Kentaro, Terada, Satoshi, Kishikawa, Takuto, Ohno, Yousuke, Kita, Toshiyuki, Kobayashi, Hiroya, Kitamura, Hidemitsu

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Folding Dynamics of 10-Residue β-Hairpin Peptide Chignolin von Suenaga, Atsushi, Narumi, Tetsu, Futatsugi, Noriyuki, Yanai, Ryoko, Ohno, Yousuke, Okimoto, Noriaki, Taiji, Makoto

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Activation of IL-6/STAT3-signaling cascade induces suppression of antigen presentation by human dendritic cells (TUM4P.917) von Kitamura, Hidemitsu, Ohno, Yousuke, Ohtake, Junya, Kaneumi, Shun, Kishikawa, Takuto, Terada, Satoshi, Sumida, Kentaro, Masuko, Kazutaka, Kita, Toshiyuki, Takahashi, Norihiko, Taketomi, Akinobu

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High-Performance Drug Discovery: Computational Screening by Combining Docking and Molecular Dynamics Simulations: e1000528 von Okimoto, Noriaki, Futatsugi, Noriyuki, Fuji, Hideyoshi, Suenaga, Atsushi, Morimoto, Gentaro, Yanai, Ryoko, Ohno, Yousuke, Narumi, Tetsu, Taiji, Makoto

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Protein Explorer: A Petaflops Special-Purpose Computer for Molecular Dynamics Simulations von Taiji, Makoto, Narumi, Tetsu, Ohno, Yousuke, Futatsugi, Noriyuki, Suenaga, Atsushi, Takada, Naoki, Konagaya, Akihiko

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Structure and dynamics of RNA polymerase II elongation complex von Suenaga, Atsushi, Okimoto, Noriaki, Futatsugi, Noriyuki, Hirano, Yoshinori, Narumi, Tetsu, Ohno, Yousuke, Yanai, Ryoko, Hirokawa, Takatsugu, Ebisuzaki, Toshikazu, Konagaya, Akihiko, Taiji, Makoto

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3P089 Computational Analysis on Selectivity of Protein Kinase Inhibitors(Protein: Function,The 48th Annual Meeting of the Biophysical Society of Japan) von Futatsugi, Noriyuki, Okimoto, Noriaki, Suenaga, Atsushi, Fuji, Hideyosi, Narumi, Tetsu, Ohno, Yousuke, Yanai, Ryoko, Taiji, Makoto

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3P089 分子動力学シミュレーション解析によるキナーゼとその阻害剤における選択性の予測(蛋白質-機能(反応機構,生物活性など),第48回日本生物物理学会年会)...

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1P-051 Investigation of Domain Motions in Proteins by Molecular Dynamics Simulation(The 46th Annual Meeting of the Biophysical Society of Japan) von Kondo, Hiroko, Morimoto, Gentaro, Suenaga, Atsushi, Futatsugi, Noriyuki, Ohno, Yousuke, Yanai, Ryoko, Fuji, Hideyoshi, Okimoto, Noriaki, Taiji, Makoto

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1P-051 分子動力学計算によるタンパク質のドメイン運動に関する研究(蛋白質・構造機能相関(1),第46回日本生物物理学会年会)

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A Role Casting Method Based on Emotions in a Story Generation System von Thawonmas, Ruck, Kamozaki, Masanao, Ohno, Yousuke

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2P061 Investigation of Domain Motions in Proteins by Molecular Dynamics Simulations(Proteins-structure and structure-function relationship,Poster Presentations) von Kondo, Hiroko, Suenaga, Atsushi, Futatsugi, Noriyuki, Yanai, Ryoko, Morimoto, Gentaro, Ohno, Yousuke, Fuji, Hideyoshi, Okimoto, Noriaki, Taiji, Makoto

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Molecular dynamics trajectories for SARS-CoV-2 Mpro with 7 HIV inhibitors von KOMATSU Teruhisa, S., Noriaki, OKIMOTO, KOYAMA Yohei, M., Yoshinori, HIRANO, MORIMOTO Gentaro, Yousuke, OHNO, Makoto, TAIJI

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