| Concentration effect of fluoroethylene carbonate on the formation of solid electrolyte interphase layer in sodium-ion batteries A Bouibes, N Takenaka, T Fujie, K Kubota, S Komaba, M Nagaoka ACS applied materials & interfaces 10 (34), 28525-28532, 2018 | 75 | 2018 |
| Large-scale membrane permeability prediction of cyclic peptides crossing a lipid bilayer based on enhanced sampling molecular dynamics simulations M Sugita, S Sugiyama, T Fujie, Y Yoshikawa, K Yanagisawa, M Ohue, ... Journal of chemical information and modeling 61 (7), 3681-3695, 2021 | 51 | 2021 |
| Microscopic formation mechanism of solid electrolyte interphase film in lithium-ion batteries with highly concentrated electrolyte N Takenaka, T Fujie, A Bouibes, Y Yamada, A Yamada, M Nagaoka The Journal of Physical Chemistry C 122 (5), 2564-2571, 2018 | 42 | 2018 |
| Red Moon methodology compatible with quantum mechanics/molecular mechanics framework: Application to solid electrolyte interphase film formation in lithium-ion battery system T Fujie, N Takenaka, Y Suzuki, M Nagaoka The Journal of Chemical Physics 149 (4), 2018 | 22 | 2018 |
| Impact of cis-versus trans-configuration of butylene carbonate electrolyte on microscopic solid electrolyte interphase formation processes in lithium-ion batteries K Miyazaki, N Takenaka, T Fujie, E Watanabe, Y Yamada, A Yamada, ... ACS applied materials & interfaces 11 (17), 15623-15629, 2019 | 18 | 2019 |
| Lipid composition is critical for accurate membrane permeability prediction of cyclic peptides by molecular dynamics simulations M Sugita, T Fujie, K Yanagisawa, M Ohue, Y Akiyama Journal of Chemical Information and Modeling 62 (18), 4549-4560, 2022 | 10 | 2022 |
| CycPeptMPDB: A Comprehensive Database of Membrane Permeability of Cyclic Peptides J Li, K Yanagisawa, M Sugita, T Fujie, M Ohue, Y Akiyama Journal of Chemical Information and Modeling 63 (7), 2240-2250, 2023 | 7 | 2023 |
| QUBO Problem Formulation of Fragment-Based Protein–Ligand Flexible Docking K Yanagisawa, T Fujie, K Takabatake, Y Akiyama Entropy 26 (5), 397, 2024 | | 2024 |
