| Molecular mechanisms of how mercury inhibits water permeation through aquaporin-1: understanding by molecular dynamics simulation Y Hirano, N Okimoto, I Kadohira, M Suematsu, K Yasuoka, M Yasui Biophysical journal 98 (8), 1512-1519, 2010 | 120 | 2010 |
| Mercury chloride decreases the water permeability of aquaporin‐4‐reconstituted proteoliposomes Y Yukutake, S Tsuji, Y Hirano, T Adachi, T Takahashi, K Fujihara, P Agre, ... Biology of the Cell 100 (6), 355-363, 2008 | 112 | 2008 |
| Non-Gaussian fluctuations resulting from power-law trapping in a lipid bilayer T Akimoto, E Yamamoto, K Yasuoka, Y Hirano, M Yasui Physical review letters 107 (17), 178103, 2011 | 110 | 2011 |
| Rapid and reversible inhibition of aquaporin-4 by zinc Y Yukutake, Y Hirano, M Suematsu, M Yasui Biochemistry 48 (51), 12059-12061, 2009 | 76 | 2009 |
| Diffusive nature of xenon anesthetic changes properties of a lipid bilayer: molecular dynamics simulations E Yamamoto, T Akimoto, H Shimizu, Y Hirano, M Yasui, K Yasuoka The Journal of Physical Chemistry B 116 (30), 8989-8995, 2012 | 73 | 2012 |
| Monooxygenation mechanism by cytochrome P-450 M Hata, Y Hirano, T Hoshino, M Tsuda Journal of the American Chemical Society 123 (26), 6410-6416, 2001 | 67 | 2001 |
| Drug binding dynamics of the dimeric SARS-CoV-2 main protease, determined by molecular dynamics simulation TS Komatsu, N Okimoto, YM Koyama, Y Hirano, G Morimoto, Y Ohno, ... Scientific reports 10 (1), 16986, 2020 | 60 | 2020 |
| An efficient computational method for calculating ligand binding affinities A Suenaga, N Okimoto, Y Hirano, K Fukui Public Library of Science 7 (8), e42846, 2012 | 55 | 2012 |
| 1/f fluctuations of amino acids regulate water transportation in aquaporin 1 E Yamamoto, T Akimoto, Y Hirano, M Yasui, K Yasuoka Physical Review E 89 (2), 022718, 2014 | 41 | 2014 |
| Tyr-317 phosphorylation increases Shc structural rigidity and reduces coupling of domain motions remote from the phosphorylation site as revealed by molecular dynamics simulations A Suenaga, AB Kiyatkin, M Hatakeyama, N Futatsugi, N Okimoto, ... Journal of Biological Chemistry 279 (6), 4657-4662, 2004 | 40 | 2004 |
| Molecular dynamics simulations of prion proteins-effect of Ala117→ Val mutation N Okimoto, K Yamanaka, A Suenaga, Y Hirano, N Futatsugi, T Narumi, ... Chem-Bio Informatics Journal 3 (1), 1-11, 2003 | 34 | 2003 |
| A fluorogenic peptide probe developed by in vitro selection using tRNA carrying a fluorogenic amino acid W Wang, T Uzawa, N Tochio, J Hamatsu, Y Hirano, S Tada, H Saneyoshi, ... Chemical communications 50 (22), 2962-2964, 2014 | 31 | 2014 |
| Differential membrane packing of stereoisomers of bis (monoacylglycero) phosphate T Hayakawa, Y Hirano, A Makino, S Michaud, M Lagarde, JF Pageaux, ... Biochemistry 45 (30), 9198-9209, 2006 | 30 | 2006 |
| Petascale molecular dynamics simulation using the fast multipole method on K computer Y Ohno, R Yokota, H Koyama, G Morimoto, A Hasegawa, G Masumoto, ... Computer Physics Communications 185 (10), 2575-2585, 2014 | 29 | 2014 |
| Power-law trapping of water molecules on the lipid-membrane surface induces water retardation E Yamamoto, T Akimoto, Y Hirano, M Yasui, K Yasuoka Physical Review E 87 (5), 052715, 2013 | 28 | 2013 |
| Quantum chemical study on the catalytic mechanism of the C-subunit of cAMP-dependent protein kinase Y Hirano, M Hata, T Hoshino, M Tsuda The Journal of Physical Chemistry B 106 (22), 5788-5792, 2002 | 27 | 2002 |
| Dynamic interactions of cations, water and lipids and influence on membrane fluidity R Kagawa, Y Hirano, M Taiji, K Yasuoka, M Yasui Journal of membrane science 435, 130-136, 2013 | 25 | 2013 |
| Fluorogenic enhancement of an in vitro-selected peptide ligand by replacement of a fluorescent group W Wang, L Zhu, Y Hirano, M Kariminavargani, S Tada, G Zhang, T Uzawa, ... Analytical chemistry 88 (16), 7991-7997, 2016 | 20 | 2016 |
| Theoretical study on compound i formation in monooxygenation mechanism by cytochrome P450 M Hata, Y Hirano, T Hoshino, R Nishida, M Tsuda The Journal of Physical Chemistry B 108 (30), 11189-11195, 2004 | 20 | 2004 |
| Differences in ligand-induced protein dynamics extracted from an unsupervised deep learning approach correlate with protein–ligand binding affinities I Yasuda, K Endo, E Yamamoto, Y Hirano, K Yasuoka Communications biology 5 (1), 481, 2022 | 18 | 2022 |
Kenji YasuokaProfessor of Mechanical Engineering, Keio UniversityEmail verificata su mech.keio.ac.jp
