publication_type publication_year number author title journal_title volume_number issue_number start_page end_page doi reported_at Paper 2023 1 Yoshimichi Andoh, Shin-ichi Ichikawa, Tatsuya Sakashita, Kazushi Fujimoto, Noriyuki Yoshii, Tetsuro Nagai, Zhiye Tang, Susumu Okazaki The Journal of Chemical Physics 158 19 https://doi.org/10.1063/5.0144361 2024-04-25 13:18:27 +0900 Paper 2021 1 Yoshimichi Andoh, Shin‐ichi Ichikawa, Tatsuya Sakashita, Noriyuki Yoshii, Susumu Okazaki Algorithm to minimize MPI communications in the parallelized fast multipole method combined with molecular dynamics calculations. Journal of Computational Chemistry 42 15 1073 1087 https://doi.org/10.1002/jcc.26524 2024-04-25 13:18:27 +0900 Paper 2020 1 Yoshimichi Andoh, Shiho Hayakawa, Susumu Okazaki Molecular dynamics study of lipid bilayers modeling outer and inner leaflets of plasma membranes of mouse hepatocytes. I. Differences in physicochemical properties between the two leaflets The Journal of Chemical Physics 153 3 035105 https://doi.org/10.1063/5.0012676 2024-04-25 13:18:27 +0900 Paper 2020 2 Yoshimichi Andoh, Noriyuki Yoshii, Susumu Okazaki Extension of the fast multipole method for the rectangular cells with an anisotropic partition tree structure Journal of Computational Chemistry 41 14 1353 1367 https://doi.org/10.1002/jcc.26180 2024-04-25 13:18:27 +0900 Paper 2020 3 Noriyuki Yoshii, Yoshimichi Andoh, Susumu Okazaki Fast multipole method for three‐dimensional systems with periodic boundary condition in two directions Journal of Computational Chemistry 41 9 940 948 https://doi.org/10.1002/jcc.26141 2024-04-25 13:18:27 +0900 Paper 2019 1 Yoshimichi ANDOH, Susumu OKAZAKI All-atom Molecular Dynamics Simulation Study ofSelf-assemblies of Amphiphilic Molecules in Solution 水溶液中の両親媒性分子集団系の全原子分子動力学シミュレーション Oleoscience 19 11 447 453 https://doi.org/10.5650/oleoscience.19.447 2024-04-25 13:18:27 +0900 Paper 2019 2 Kosuke Takeda, Yoshimichi Andoh, Wataru Shinoda, Susumu Okazaki Molecular Behavior of Linear Alkylbenzene Sulfonate in Hydrated Crystal, Tilted Gel, and Liquid Crystal Phases Studied by Molecular Dynamics Simulation Langmuir 35 33 10877 10884 https://doi.org/10.1021/acs.langmuir.9b01607 2024-04-25 13:18:27 +0900 Paper 2019 3 Kosuke Takeda, Yoshimichi Andoh, Wataru Shinoda, Susumu Okazaki Structure of Hydrated Crystal (Lc), Tilted Gel (Lβ′), and Liquid Crystal (Lα) Phases of Linear Alkylbenzene Sulfonate (LAS) Studied by X-ray Diffraction and Molecular Dynamics Simulation Langmuir 35 27 9011 9019 https://doi.org/10.1021/acs.langmuir.9b01199 2024-04-25 13:18:27 +0900 Paper 2018 1 Yoshimichi Andoh, Sakiho Kitou, Susumu Okazaki Difference in molecular mechanisms governing changes in membrane properties of phospholipid bilayers induced by addition of nonionic and zwitterionic surfactants Journal of Molecular Liquids 271 933 941 https://doi.org/10.1016/j.molliq.2018.09.018 2024-04-25 13:18:27 +0900 Paper 2018 2 Noriyuki Yoshii, Yoshimichi Andoh, Susumu Okazaki Pressure tensor for electrostatic interaction calculated by fast multipole method with periodic boundary condition Journal of Computational Chemistry 39 19 1192 1199 https://doi.org/10.1002/jcc.25179 2024-04-25 13:18:27 +0900 Paper 2018 3 Yoshimichi Andoh, Soichiro Suzuki, Satoshi Ohshima, Tatsuya Sakashita, Masao Ogino, Takahiro Katagiri, Noriyuki Yoshii, Susumu Okazaki A thread-level parallelization of pairwise additive potential and force calculations suitable for current many-core architectures The Journal of Supercomputing 74 6 2449 2469 https://doi.org/10.1007/s11227-018-2272-2 2024-04-25 13:18:27 +0900 Paper 2017 1 Yoshimichi Andoh, Siti Nor Syafawani Mohamed, Sakiho Kitou, Susumu Okazaki Structural ordering of lipid bilayers induced by surfactant molecules with small hydrophilic head group Molecular Simulation 43 13-16 1247 1255 https://doi.org/10.1080/08927022.2017.1319061 2024-04-25 13:18:27 +0900 Paper 2017 2 Yoshimichi Andoh, Noriyuki Yoshii, Atsushi Yamada, Susumu Okazaki Evaluation of atomic pressure in the multiple time-step integration algorithm Journal of Computational Chemistry 38 10 704 713 https://doi.org/10.1002/jcc.24731 2024-04-25 13:18:27 +0900 Paper 2017 3 Go Hamasaka, Tsubasa Muto, Yoshimichi Andoh, Kazushi Fujimoto, Kenichi Kato, Masaki Takata, Susumu Okazaki, Yasuhiro Uozumi Detailed Structural Analysis of a Self-Assembled Vesicular Amphiphilic NCN-Pincer Palladium Complex by Using Wide-Angle X-Ray Scattering and Molecular Dynamics Calculations Chemistry - A European Journal 23 6 1291 1298 https://doi.org/10.1002/chem.201603494 2024-04-25 13:18:27 +0900 Paper 2017 4 Go Hamasaka, Tsubasa Muto, Yoshimichi Andoh, Kazushi Fujimoto, Kenichi Kato, Masaki Takata, Susumu Okazaki, Yasuhiro Uozumi Cover Picture: Detailed Structural Analysis of a Self-Assembled Vesicular Amphiphilic NCN-Pincer Palladium Complex by Using Wide-Angle X-Ray Scattering and Molecular Dynamics Calculations (Chem. Eur. J. 6/2017) Chemistry - A European Journal 23 6 1207 1207 https://doi.org/10.1002/chem.201605178 2024-04-25 13:18:27 +0900 Paper 2017 5 Go Hamasaka, Tsubasa Muto, Yoshimichi Andoh, Kazushi Fujimoto, Kenichi Kato, Masaki Takata, Susumu Okazaki, Yasuhiro Uozumi Detailed Structural Analysis of a Self-Assembled Vesicular Amphiphilic NCN-Pincer Palladium Complex by Wide-Angle X-Ray Scattering and Molecular Dynamics Calculations Chemistry - A European Journal 23 6 1209 1209 https://doi.org/10.1002/chem.201605213 2024-04-25 13:18:27 +0900 Paper 2016 1 Yoshimichi Andoh, Noriyuki Aoki, Susumu Okazaki Molecular dynamics study of lipid bilayers modeling the plasma membranes of mouse hepatocytes and hepatomas The Journal of Chemical Physics 144 8 085104 https://doi.org/10.1063/1.4942159 2024-04-25 13:18:27 +0900 Paper 2015 1 Yoshimichi Andoh, Shun Muraoka, Susumu Okazaki Molecular dynamics study of changes in physico-chemical properties of DMPC lipid bilayers by addition of nonionic surfactant C12E10 Molecular Simulation 41 10-12 955 960 https://doi.org/10.1080/08927022.2014.928707 2024-04-25 13:18:27 +0900 Paper 2015 2 Noriyuki Yoshii, Yoshimichi Andoh, Kazushi Fujimoto, Hidekazu Kojima, Atsushi Yamada, Susumu Okazaki MODYLAS: A highly parallelized general-purpose molecular dynamics simulation program International Journal of Quantum Chemistry 115 5 342 348 https://doi.org/10.1002/qua.24841 2024-04-25 13:18:27 +0900 Paper 2014 1 Y. Andoh, N. Yoshii, A. Yamada, K. Fujimoto, H. Kojima, K. Mizutani, A. Nakagawa, A. Nomoto, S. Okazaki All-atom molecular dynamics calculation study of entire poliovirus empty capsids in solution The Journal of Chemical Physics 141 16 165101 https://doi.org/10.1063/1.4897557 2024-04-25 13:18:27 +0900 Paper 2014 2 Takuma Yagasaki, Masakazu Matsumoto, Yoshimichi Andoh, Susumu Okazaki, Hideki Tanaka Dissociation of Methane Hydrate in Aqueous NaCl Solutions The Journal of Physical Chemistry B 118 40 11797 11804 https://doi.org/10.1021/jp507978u 2024-04-25 13:18:27 +0900 Paper 2014 3 Takuma Yagasaki, Masakazu Matsumoto, Yoshimichi Andoh, Susumu Okazaki, Hideki Tanaka Effect of Bubble Formation on the Dissociation of Methane Hydrate in Water: A Molecular Dynamics Study The Journal of Physical Chemistry B 118 7 1900 1906 https://doi.org/10.1021/jp412692d 2024-04-25 13:18:27 +0900 Paper 2013 1 Yoshimichi Andoh, Noriyuki Yoshii, Kazushi Fujimoto, Keisuke Mizutani, Hidekazu Kojima, Atsushi Yamada, Susumu Okazaki, Kazutomo Kawaguchi, Hidemi Nagao, Kensuke Iwahashi, Fumiyasu Mizutani, Kazuo Minami, Shin-ichi Ichikawa, Hidemi Komatsu, Shigeru Ishizuki, Yasuhiro Takeda, Masao Fukushima MODYLAS: A Highly Parallelized General-Purpose Molecular Dynamics Simulation Program for Large-Scale Systems with Long-Range Forces Calculated by Fast Multipole Method (FMM) and Highly Scalable Fine-Grained New Parallel Processing Algorithms Journal of Chemical Theory and Computation 9 7 3201 3209 https://doi.org/10.1021/ct400203a 2024-04-25 13:18:27 +0900 Paper 2013 2 Yoshimichi Andoh, Susumu Okazaki, Ryuichi Ueoka Molecular dynamics study of lipid bilayers modeling the plasma membranes of normal murine thymocytes and leukemic GRSL cells Biochimica et Biophysica Acta (BBA) - Biomembranes 1828 4 1259 1270 https://doi.org/10.1016/j.bbamem.2013.01.005 2024-04-25 13:18:27 +0900 Paper 2012 1 Yoshimichi Andoh, Kimiko Oono, Susumu Okazaki, Ichiro Hatta A molecular dynamics study of the lateral free energy profile of a pair of cholesterol molecules as a function of their distance in phospholipid bilayers The Journal of Chemical Physics 136 15 155104 https://doi.org/10.1063/1.4704740 2024-04-25 13:18:27 +0900 Paper 2012 2 Y. Andoh, T. Ito, S. Okazaki An application of improved force field to fully hydrated DPPC and POPC bilayers in a tensionless NPT ensemble: a test of CHARMM 27-based new force field by Högberg et al. Molecular Simulation 38 5 414 418 https://doi.org/10.1080/08927022.2010.548385 2024-04-25 13:18:27 +0900 Paper 2009 1 Hiroshi Kuramochi, Yoshimichi Andoh, Noriyuki Yoshii, Susumu Okazaki All-Atom Molecular Dynamics Study of a Spherical Micelle Composed of N-Acetylated Poly(ethylene glycol)−Poly(γ-benzyll-glutamate) Block Copolymers: A Potential Carrier of Drug Delivery Systems for Cancer The Journal of Physical Chemistry B 113 46 15181 15188 https://doi.org/10.1021/jp906155z 2024-04-25 13:18:27 +0900 Paper 2007 1 Yoshimichi Andoh, Kenji Kurahashi, Hiroshi Sakuma, Kenji Yasuoka, Kazue Kurihara Anisotropic molecular clustering in liquid ethanol induced by a charged fully hydroxylated silicon dioxide (SiO2) surface Chemical Physics Letters 448 4-6 253 257 https://doi.org/10.1016/j.cplett.2007.10.008 2024-04-25 13:18:27 +0900 Paper 2007 2 Y. Andoh, K. Yasuoka Molecular understanding of dynamical properties of the vapor/ethanol-aqueous-solution interface Molecular Simulation 33 1-2 139 145 https://doi.org/10.1080/08927020601075337 2024-04-25 13:18:27 +0900 Paper 2006 1 Yoshimichi Andoh, Kenji Yasuoka Hydrogen-Bonded Clusters on the Vapor/Ethanol-Aqueous-Solution Interface The Journal of Physical Chemistry B 110 46 23264 23273 https://doi.org/10.1021/jp061150k 2024-04-25 13:18:27 +0900 Paper 2005 1 Yoshimichi Andoh, Kenji Yasuoka Two-Dimensional Supercritical Behavior of an Ethanol Monolayer:  A Molecular Dynamics Study Langmuir 21 23 10885 10894 https://doi.org/10.1021/la051384f 2024-04-25 13:18:27 +0900