| Structural basis of TRPA1 inhibition by HC-030031 utilizing species-specific differences R Gupta, S Saito, Y Mori, SG Itoh, H Okumura, M Tominaga Scientific reports 6 (1), 37460, 2016 | 75 | 2016 |
| Enhanced sampling algorithms A Mitsutake, Y Mori, Y Okamoto Biomolecular Simulations: Methods and Protocols, 153-195, 2013 | 61 | 2013 |
| Generalized-ensemble algorithms for the isobaric–isothermal ensemble Y Mori, Y Okamoto Journal of the Physical Society of Japan 79 (7), 074003, 2010 | 50 | 2010 |
| Replica-exchange molecular dynamics simulations for various constant temperature algorithms Y Mori, Y Okamoto Journal of the Physical Society of Japan 79 (7), 074001, 2010 | 38 | 2010 |
| End-to-end protein–ligand complex structure generation with diffusion-based generative models S Nakata, Y Mori, S Tanaka BMC bioinformatics 24 (1), 233, 2023 | 33 | 2023 |
| Pressure-induced helical structure of a peptide studied by simulated tempering molecular dynamics simulations Y Mori, H Okumura The journal of physical chemistry letters 4 (12), 2079-2083, 2013 | 28 | 2013 |
| Molecular simulations by generalized-ensemble algorithms in isothermal–isobaric ensemble M Yamauchi, Y Mori, H Okumura Biophysical reviews 11, 457-469, 2019 | 23 | 2019 |
| Molecular dynamics of the structural changes of helical peptides induced by pressure Y Mori, H Okumura Proteins: Structure, Function, and Bioinformatics 82 (11), 2970-2981, 2014 | 20 | 2014 |
| Free-energy analyses of a proton transfer reaction by simulated-tempering umbrella sampling and first-principles molecular dynamics simulations Y Mori, Y Okamoto Physical Review E 87 (2), 023301, 2013 | 18 | 2013 |
| Simulated tempering based on global balance or detailed balance conditions: S uwa–t odo, heat bath, and m etropolis algorithms Y Mori, H Okumura Journal of computational chemistry 36 (31), 2344-2349, 2015 | 17 | 2015 |
| Molecular mechanism of long-range synergetic color tuning between multiple amino acid residues in conger rhodopsin HC Watanabe, Y Mori, T Tada, S Yokoyama, T Yamato Biophysics 6, 67-78, 2010 | 16 | 2010 |
| Conformational changes of ubiquitin under high pressure conditions: A pressure simulated tempering molecular dynamics study Y Mori, Y Okamoto Journal of Computational Chemistry 38 (15), 1167-1173, 2017 | 13 | 2017 |
| Biomolecular Simulations A Mitsutake, Y Mori, Y Okamoto, L Monticelli, E Salonen Springer, 2013 | 11 | 2013 |
| Multi-dimensional multicanonical algorithm, simulated tempering, replica-exchange method, and all that A Mitsutake, Y Mori, Y Okamoto Physics Procedia 4, 89-105, 2010 | 9 | 2010 |
| Thermal conductivity and conductance of protein in aqueous solution: Effects of geometrical shape I Kurisaki, S Tanaka, I Mori, T Umegaki, Y Mori, S Tanaka Journal of Computational Chemistry 44 (7), 857-868, 2023 | 7 | 2023 |
| Antigen-dependent fluorescence response of anti-c-Myc Quenchbody studied by molecular dynamics simulations Y Mori, H Okumura, T Watanabe, T Hohsaka Chemical Physics Letters 698, 223-226, 2018 | 7 | 2018 |
| Modeling 15N NMR chemical shift changes in protein backbone with pressure G La Penna, Y Mori, R Kitahara, K Akasaka, Y Okamoto The Journal of Chemical Physics 145 (8), 2016 | 7 | 2016 |
| Theoretical insights into the DNA repair function of Arabidopsis thaliana cryptochrome-DASH R Sato, Y Mori, R Matsui, N Okimoto, J Yamamoto, M Taiji Biophysics and Physicobiology 17, 113-124, 2020 | 4 | 2020 |
| Anesthetic Binding Induced Motion of GABAA Receptors Revealed by Coarse-Grained Molecular Dynamics Simulations S Nakata, Y Mori, S Tanaka The Journal of Physical Chemistry B 127 (28), 6306-6315, 2023 | 2 | 2023 |
| High pressure effect on a helical peptide studied by simulated tempering molecular dynamics simulations Y Mori, H Okumura Biophysical Journal 106 (2), 611a, 2014 | 2 | 2014 |
