第一原理計算とデータ科学的アプローチ
ダムヒョウチ,水上卓
化学と教育, 67, 2, 62-64, 2019
Molecular Dynamics Study of Gramicidin A in Lipid Bilayer: Electrostatic Map and Ion Conduction
Hiroaki SAITO, Masashi IWAYAMA, Kazutomo KAWAGUCHI, Taku MIZUKAMI, Takeshi MIYAKAWA, Masako TAKASU, Hidemi NAGAO
JPS Conf. Proc., 012053-, 2014
Molecular Dynamics Simulations of the Hras-GTP Complex and the Hras-GDP Complex Miyakawa Takeshi, Morikawa Ryota, Takasu Masako, Sugimori Kimikazu, Mizukami Taku, Kawaguchi Kazutomo, Saito Hiroaki, Nagao Hidemi
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 113, 21, 2333-2337, 2013
Molecular dynamics study of gramicidin a in lipid bilayer: Structure and lateral pressure profile Hiroaki Saito, Masashi Iwayama, Hiroyuki Takagi, Megumi Nishimura, Takeshi Miyakawa, Kazutomo Kawaguchi, Masako Takasu, Taku Mizukami, Hidemi Nagao
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 112, 24, 3834-3839, 2012
The Potentials of the Atoms around Mg2+ in the H-ras GTP and GDP Complexes Miyakawa, T, Morikawa, R, Takasu, M, Sugimori, K, Mizukami, T, Kawaguchi, K, Saito, H, Nagao, H
Prog. Theor. Chem. Phys., 26, 525-543, 2012
Solvation Effect on the Structural Change of a Globular Protein: A Molecular Dynamics Study Taku Mizukami, Hiroaki Saito, Shuhei Kawamoto, Takeshi Miyakawa, Masashi Iwayama, Masako Takasu, Hidemi Nagao
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 112, 1, 344-350, 2012
3P-039 Stability of Azurin(II)-Cytochrome(II) Complex: An effect of Change of Hydration Structure(Protein:Property,The 47th Annual Meeting of the Biophysical Society of Japan) Nakamura Riki, Matsumoto Keisuke, Saito Hiroaki, Mizukami Taku, Tateno Masaru, Nishikawa Kiyoshi, Nagao Hidemi
Seibutsu Butsuri, 49, S157-, 2009
3P-106 Correlation of structural change in protein and hydration water : Molecular dynamic study of PYP(Water, Hydration & Electrolyte,The 47th Annual Meeting of the Biophysical Society of Japan) Mizukami Taku, Sugiyama Ayumu, Nakamura Riki, Matsumoto Keisuke, Saito Hiroaki, Nagao Hidemi
Seibutsu Butsuri, 49, S169-, 2009
2P-034 Molecular dynamics study on thermodynamical stability of Oxidized Azurin - Reduced Cytochromec_<551> complex(Protein:Property,The 47th Annual Meeting of the Biophysical Society of Japan) Matsumoto Keisuke, Nakamura Riki, Mizukami Taku, Saitou Hiroaki, Tateno Masaru, Nishikawa Kiyoshi, Nagao Hidemi
Seibutsu Butsuri, 49, S111-, 2009
Tautomerism of histidine 64 associated with proton transfer in catalysis of Carbonic Anhydrase Shimahara Hideto, Yoshida Takuya, Sugimori Kimiichi, Sugiyama Ayumu, Mizukami Taku, Nagao Hidemi, Nakazawa Takashi, Ohkubo Tadayasu, Kobayashi Yuji
FASEB JOURNAL, 22, 13, 9646-9656, 2008
1P-063 QM and NMR Analysis of Tautomerization of His64 Coupled to Ionization of Zinc-Bound Solvent during Proton Transfer in Carbonic Anhydrase(The 46th Annual Meeting of the Biophysical Society of Japan) Shimahara Hideto, Sugimori Kimiichi, Sugiyama Ayumu, Mizukami Taku, Yoshida Takuya, Nagao Hidemi, Nakazawa Takashi, Ohkubo Tadayasu, Kobayashi Yuji
Seibutsu Butsuri, 48, S30-, 2008
Free energy calculation of docking structure of Azurin(I)-Cytochrome c(551)(III) complex systems by using the energetic representation Nishikawa Keigo, Yamamoto Tetsunoni, Sugiyama Ayumu, Purqon Acep, Mizukami Taku, Shimahara Hideto, Nagao Hidemi, Nishikawa Kiyoshi
COMPLEX SYSTEMS-BOOK 1, 982, 780-+, 2008
Theoretical study of free energy in docking stability of Azurin(II)-Cytochrome c(551)(III) complex system Tetsunori Yamamoto, Keigo Nishikawa, Ayumu Sugiyama, Acep Purqon, Taku Mizukami, Hideto Shimahara, Hidemi Nagao, Kiyoshi Nishikawa
COMPLEX SYSTEMS-BOOK 1, 982, 784-+, 2008
3P358 Docking stability of Azurin(I)-Cytochrome c_<551>(III) Complex Systems by Free Energy Calculation(Others,Poster Presentations) Nishikawa K., Yamamoto T., Sugiyama A., Acep Purqon, Mizukami T., Shimahara H., Nagao H., Nishikawa K.
Seibutsu Butsuri, 47, S292-, 2007
2P284 Free Energy Calculation of Spaghetti-like Nanoclusters by using The Energetic Representation(Native and artificial biomembranes-dynamics,Poster Presentations) Purqon Acep, Nishikawa Keigo, Yamamoto Tetsunori, Mizukami Taku, Shimahara Hideto, Sugiyama Ayumu, Nagao Hidemi, Nishikawa Kiyoshi
Seibutsu Butsuri, 47, S184-, 2007
Roles of amino acid residues near the chromophore of photoactive yellow protein Y Imamoto, H Koshimizu, K Mihara, O Hisatomi, T Mizukami, K Tsujimoto, M Kataoka, F Tokunaga
BIOCHEMISTRY, 40, 15, 4679-4685, 2001