Yasuoka Laboratory


  • 2023年 (12 papers)
    • Furutani, Y., Hirano, Y., Toguchi, M., Higuchi, S., Qin, X.-Y., Yanaka, K., Sato-Shiozaki, Y., Takahashi, N., Sakai, M., Kongpracha, P., Suzuki, T., Dohmae, N., Kukimoto-Niino, M., Shirouzu, M., Nagamori, S., Suzuki, H., Kobayashi, K., Masaki, T., Koyama, H., Sekiba, K., Otsuka, M., Koike, K., Kohara, M., Kojima, S., Kakeya, H. and Matsuura, T., "A small molecule iCDM-34 identified by in silico screening suppresses HBV DNA through activation of aryl hydrocarbon receptor", Cell Death Discovery, 9, 467(2023). (13 pages.) DOI: 10.1038/s41420-023-01755-w

    • Mustali, J., Yasuda, I., Hirano, Y., Yasuoka, K., Gautieri, A. and Arai, N., "Unsupervised deep learning for molecular dynamics simulations: a novel analysis of protein–ligand interactions in SARS-CoV-2 Mpro", RSC Advances, 13, 34249-34261(2023). (13 pages.) DOI: 10.1039/D3RA06375E

    • 太刀野雄介,土居英男,奥脇弘次,平野秀典,望月祐志, "タンパク質に関するFMO-DPDシミュレーション用パラメータ算定と試行", Journal of Computer Chemistry, Japan, in press.

    • Miwa, K., Guo, Y., Hata, M., Hirano, Y., Yamamoto, N. and Hoshino, T., "In Silico Identification of Inhibitory Compounds for SARS-CoV-2 Papain-Like Protease", Chemical and Pharmaceutical Bulletin, in press.

    • Pan, Y., Suzuki, T., Sakai, K., Hirano, Y., Ikeda, H., Hattori, A., Dohmae, N., Nishio, K. and Kakeya, H., "Bisabosqual A: A novel asparagine synthetase inhibitor suppressing the proliferation and migration of human non-small cell lung cancer A549 cells", European Journal of Pharmacology, 960, 176156(2023). (12 pages.) DOI: 10.1016/j.ejphar.2023.176156

    • Sakai, S., Hirano, Y., Kobayashi, Y. and Arai, N., "Effect of temperature on the structure and drug-release behaviour of inclusion complex of β-cyclodextrin with cyclophosphamide: a molecular dynamics study", Soft Matter, 19, 2902-2907(2023). (6 pages.) DOI: 10.1039/D2SM01542K

    • Brumby, P. E., Kowaguchi, A., Nozawa T., Yasuoka, K. and Wensink, H., "Pre-Smectic Ordering and the Unwinding Helix in Monte Carlo Simulations of Cholesteric Liquid-Crystals.", The Journal of Physical Chemistry B, 127, 7103-7206(2023). (11 pages.) DOI: 10.1021/acs.jpcb.3c02018

    • Ishiai, S., Endo, K. and Yasuoka, K., "Graph neural networks classify molecular geometry and design novel order parameters of crystal and liquid", The Journal of Chemical Physics, 159, 064103(2023). (16 pages.) DOI: 10.1063/5.0156203

    • Kubota, T., Suzuki, Y., Kobayashi, S., Tran Q., Yamamoto N. and Nakajima K., "Temporal information processing induced by quantum noise", Physical Review Research, 5, 023057(2023). (15 pages.) DOI: 10.1103/PhysRevResearch.5.023057

    • Okada, K., Endo, K., Yasuoka, K. and Kurabayashi S., "Learned pseudo-random number generator: WGAN-GP for generating statistically robust random numbers", PLOS One, 18, e0287025(2023). (19 pages.) DOI: 10.1371/journal.pone.0287025

    • Arai, N., Yamamoto, E., Koishi, T., Hirano, Y., Yasuoka, K. and Ebisuzaki T., "Wetting hysteresis induces effective uni-directional water transport through a fluctuating nanochannel", Nanoscale Horizons, 8, 652-661(2023). (12 pages.) DOI: 10.1039/D2NH00563H

    • Yasuda, I., Kobayashi, Y., Endo, K., Hayakawa, Y., Fujiwara, K., Yajima, K., Arai N. and Yasuoka, K., "Combining molecular dynamics and machine learning to analyze shear thinning for alkane and globular lubricants in the low shear regime", ACS Applied Materials & Interfaces, 15, 7639-8794(2023). (12 pages.) DOI: 10.1021/acsami.2c16366

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