Yasuoka Laboratory




Conferences


Published Articles (Recent 10 papers)

last update : 11/25,2023

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

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, in press.

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., 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


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2023/12/07
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2023/11/25
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