| Variation of free‐energy landscape of the p53 C‐terminal domain induced by acetylation: Enhanced conformational sampling S Iida, T Mashimo, T Kurosawa, H Hojo, H Muta, Y Goto, Y Fukunishi, ... Journal of computational chemistry 37 (31), 2687-2700, 2016 | 32 | 2016 |
| Enhanced conformational sampling to visualize a free-energy landscape of protein complex formation S Iida, H Nakamura, J Higo Biochemical Journal 473 (12), 1651-1662, 2016 | 22 | 2016 |
| Multimodal structural distribution of the p53 C-terminal domain upon binding to S100B via a generalized ensemble method: from disorder to extradisorder S Iida, T Kawabata, K Kasahara, H Nakamura, J Higo Journal of Chemical Theory and Computation 15 (4), 2597-2607, 2019 | 16 | 2019 |
| Continuum mechanical parameterisation of cytoplasmic dynein from atomistic simulation BS Hanson, S Iida, DJ Read, OG Harlen, G Kurisu, H Nakamura, ... Methods 185, 39-48, 2021 | 13 | 2021 |
| Structural fluctuations of aromatic residues in an apo-form reveal cryptic binding sites: implications for fragment-based drug design S Iida, HK Nakamura, T Mashimo, Y Fukunishi The Journal of Physical Chemistry B 124 (45), 9977-9986, 2020 | 12 | 2020 |
| Fly casting with ligand sliding and orientational selection supporting complex formation of a GPCR and a middle sized flexible molecule J Higo, K Kasahara, GJ Bekker, B Ma, S Sakuraba, S Iida, N Kamiya, ... Scientific Reports 12 (1), 13792, 2022 | 8 | 2022 |
| Dissociation Rate Calculation via Constant-Force Steered Molecular Dynamics Simulation S Iida, T Kameda Journal of Chemical Information and Modeling 63 (11), 3369-3376, 2023 | 6* | 2023 |
| Free energy and kinetic rate calculation via non-equilibrium molecular simulation: application to biomolecules S Iida, K Tomoshi Biophysical Reviews 14 (6), 1303-1314, 2022 | 6 | 2022 |
| Asymmetric dynamics of dimeric SARS-CoV-2 and SARS-CoV main proteases in an apo form: Molecular dynamics study on fluctuations of active site, catalytic dyad, and hydration water S Iida, Y Fukunishi BBA advances 1, 100016, 2021 | 5 | 2021 |
Yoshifumi FukunishiNational Institute of Advanced Industrial Science and Technology (AIST)在 aist.go.jp 的电子邮件经过验证
