| Role of Computational Methods in Going beyond X-ray Crystallography to Explore Protein Structure and Dynamics A Srivastava, T Nagai, A Srivastava, O Miyashita, F Tama International journal of molecular sciences 19 (11), 3401, 2018 | 107 | 2018 |
| Critical size dependence of domain formation observed in coarse-grained simulations of bilayers composed of ternary lipid mixtures GA Pantelopulos, T Nagai, A Bandara, A Panahi, JE Straub The Journal of chemical physics 147 (9), 095101, 2017 | 67 | 2017 |
| Position-Dependent Diffusion Constant of Molecules in Heterogeneous Systems as Evaluated by the Local Mean Squared Displacement T Nagai, S Tsurumaki, R Urano, K Fujimoto, W Shinoda, S Okazaki Journal of Chemical Theory and Computation 16 (12), 7239-7254, 2020 | 31 | 2020 |
| Phase behavior of a lipid bilayer system studied by a replica-exchange molecular dynamics simulation T Nagai, R Ueoka, Y Okamoto Journal of the Physical Society of Japan 81 (2), 024002, 2012 | 21 | 2012 |
| Prediction of self‐diffusion coefficients of chemically diverse pure liquids by all‐atom molecular dynamics simulations H Baba, R Urano, T Nagai, S Okazaki Journal of Computational Chemistry 43 (28), 1892-1900, 2022 | 20 | 2022 |
| Exploring the impact of proteins on the line tension of a phase-separating ternary lipid mixture A Bandara, A Panahi, GA Pantelopulos, T Nagai, JE Straub The Journal of chemical physics 150 (20), 204702, 2019 | 20 | 2019 |
| Replica-exchange molecular dynamics simulation of a lipid bilayer system with a coarse-grained model T Nagai, Y Okamoto Molecular Simulation 38 (5), 437-441, 2012 | 16 | 2012 |
| Simulated tempering and magnetizing: Application of two-dimensional simulated tempering to the two-dimensional Ising model and its crossover T Nagai, Y Okamoto Physical Review E 86 (5), 056705, 2012 | 13 | 2012 |
| Momentum removal to obtain the position‐dependent diffusion constant in constrained molecular dynamics simulation K Fujimoto, T Nagai, T Yamaguchi Journal of Computational Chemistry 42 (30), 2136-2144, 2021 | 12 | 2021 |
| Mass-scaling replica-exchange molecular dynamics optimizes computational resources with simpler algorithm T Nagai, T Takahashi The Journal of chemical physics 141 (11), 114111, 2014 | 10 | 2014 |
| An exa-scale high-performance molecular dynamics simulation program: MODYLAS Y Andoh, S Ichikawa, T Sakashita, K Fujimoto, N Yoshii, T Nagai, Z Tang, ... The Journal of Chemical Physics 158 (19), 2023 | 8 | 2023 |
| Global diffusion of hydrogen molecules in the heterogeneous structure of polymer electrolytes for fuel cells: Dynamic Monte Carlo combined with molecular dynamics calculations T Nagai, S Okazaki The Journal of Chemical Physics 157 (5), 054502, 2022 | 8 | 2022 |
| Dynamic Monte Carlo calculation generating particle trajectories that satisfy the diffusion equation for heterogeneous systems with a position-dependent diffusion coefficient … T Nagai, A Yoshimori, S Okazaki The Journal of Chemical Physics 156 (15), 154506, 2022 | 8 | 2022 |
| Three-dimensional free-energy landscape of hydrogen and oxygen molecules in polymer electrolyte membranes: Insight into diffusion paths T Nagai, K Fujimoto, S Okazaki The Journal of Chemical Physics 156 (4), 044507, 2022 | 8 | 2022 |
| Gaussian mixture model for coarse-grained modeling from XFEL T Nagai, Y Mochizuki, Y Joti, F Tama, O Miyashita Optics Express 26 (20), 26734-26749, 2018 | 8 | 2018 |
| Crossover scaling in the two-dimensional three-state Potts model WJ Tetsuro Nagai, Yuko Okamoto Condensed Matter Physics 16 (2), 23605, 2013 | 8* | 2013 |
| On the use of mass scaling for stable and efficient simulated tempering with molecular dynamics T Nagai, GA Pantelopulos, T Takahashi, JE Straub Journal of computational chemistry 37 (21), 2017-2028, 2016 | 7 | 2016 |
| In-situ observation of an anion exchange membrane at various humidity by X-ray scattering K Yoshida, T Nagai, K Ohara, Y Shirase, K Miyatake, J Inukai Journal of Molecular Liquids 391, 123197, 2023 | 5 | 2023 |
| Application of simulated tempering and magnetizing to a two-dimensional Potts model T Nagai, Y Okamoto, W Janke Journal of Statistical Mechanics: Theory and Experiment 2013 (02), P02039, 2013 | 5 | 2013 |
| Cryo-Cooling Effect on DHFR Crystal Studied by Replica-Exchange Molecular Dynamics Simulations T Nagai, F Tama, O Miyashita Biophysical journal 116 (3), 395-405, 2019 | 4 | 2019 |
Yuko OKAMOTO (岡本祐幸)Department of Physics, Nagoya UniversityVerified email at cc.nagoya-u.ac.jp
