Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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Learning reaction coordinates via cross-entropy minimization: Application to alanine dipeptideMori, Yusuke ; Okazaki, Kei-ichi ; Mori, Toshifumi ; Kim, Kang ; Matubayasi, NobuyukiThe Journal of chemical physics, 2020-08, Vol.153 (5), p.054115-054115 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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2 |
Material Type: Artigo
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Transition path sampling of rare events by shooting from the topJung, Hendrik ; Okazaki, Kei-ichi ; Hummer, GerhardThe Journal of chemical physics, 2017-10, Vol.147 (15), p.152716-152716 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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3 |
Material Type: Artigo
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All-atom molecular dynamics study on the non-solvent induced phase separation: Thermodynamics of adding water to poly(vinylidene fluoride)/N-methyl-2-pyrrolidone solutionTaddese, Tseden ; Kitabata, Masahiro ; Okazaki, SusumuThe Journal of chemical physics, 2019-05, Vol.150 (18), p.184505-184505 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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4 |
Material Type: Artigo
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Molecular dynamics study of thermodynamic stability and dynamics of [Li(glyme)]+ complex in lithium-glyme solvate ionic liquidsShinoda, Wataru ; Hatanaka, Yuta ; Hirakawa, Masashi ; Okazaki, Susumu ; Tsuzuki, Seiji ; Ueno, Kazuhide ; Watanabe, MasayoshiThe Journal of chemical physics, 2018-05, Vol.148 (19), p.193809-193809 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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5 |
Material Type: Artigo
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All-atom molecular dynamics calculation study of entire poliovirus empty capsids in solutionAndoh, Y ; Yoshii, N ; Yamada, A ; Fujimoto, K ; Kojima, H ; Mizutani, K ; Nakagawa, A ; Nomoto, A ; Okazaki, SThe Journal of chemical physics, 2014-10, Vol.141 (16), p.165101-165101 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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6 |
Material Type: Artigo
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All-atom molecular dynamics study of hepatitis B virus containing pregenome RNA in solutionFujimoto, Kazushi ; Yamaguchi, Youhei ; Urano, Ryo ; Shinoda, Wataru ; Ishikawa, Tetsuya ; Omagari, Katsumi ; Tanaka, Yasuhito ; Nakagawa, Atsushi ; Okazaki, SusumuThe Journal of chemical physics, 2021-10, Vol.155 (14), p.145101-145101 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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7 |
Material Type: Artigo
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Changes in electronic structure of carbon supports for Pt catalysts induced by vacancy formation due to Ar+ irradiationOkazaki, Hiroyuki ; Kakitani, Kenta ; Kimata, Tetsuya ; Idesaki, Akira ; Koshikawa, Hiroshi ; Matsumura, Daiju ; Yamamoto, Shunya ; Yamaki, TetsuyaThe Journal of chemical physics, 2020-03, Vol.152 (12), p.124708-124708 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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8 |
Material Type: Artigo
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A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solutions based upon mixed quantum-classical approximation. I. Proton transfer reaction in waterYamada, Atsushi ; Kojima, Hidekazu ; Okazaki, SusumuThe Journal of chemical physics, 2014-08, Vol.141 (8), p.084509-084509 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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9 |
Material Type: Artigo
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A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solution based upon a mixed quantum-classical approximation. II. Proton transfer reaction in non-polar solventKojima, H ; Yamada, A ; Okazaki, SThe Journal of chemical physics, 2015-05, Vol.142 (17), p.174502-174502 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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10 |
Material Type: Artigo
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Molecular dynamics study of the potential of mean force of SDS aggregatesKawada, Shinji ; Fujimoto, Kazushi ; Yoshii, Noriyuki ; Okazaki, SusumuThe Journal of chemical physics, 2017-08, Vol.147 (8), p.084903-084903 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |