研究概要

主要論文

• 1. Shigeyuki Matsumoto, Hiroaki Iwata, Yuta Isaka, Ryo Kanada, Shoichi Ishida, Biao Ma, Yoshinobu Akinaga, Mitsugu Arakia, Shuntaro Chiba, Kei Terayama, Ryosuke Kojima, Atsushi Tokuhisab, Yohei Haradaa,Kazuhiro Takemurae, Teruki Honmac, Akio Kitao eand Yasushi Okuno:
  "Precision spatiotemporal analysis of large-scale compound–protein interactions through molecular dynamics simulation"
  PNAS Nexus, 4: pgaf094. (2025).
• 2. Kaho Shionoya, Jae-Hyun Park, Toru Ekimoto, Junko S. Takeuchi, Junki Mifune, Takeshi Morita, Naito Ishimoto, Haruka Umezawa, Kenichiro Yamamoto, Chisa Kobayashi, Atsuto Kusunoki, Norimichi Nomura, So Iwata, Masamichi Muramatsu, Jeremy R. H. Tame, Mitsunori Ikeguchi, Sam-Yong Park, Koichi Watashi:
  "Structural basis for hepatitis B virus restriction by a viral receptor homologue"
  Nature Communications, 15: 9241. (2024).
• 3. Mitsugu Araki, Toru Ekimoto, Kazuhiro Takemura, Shigeyuki Matsumoto, Yunoshin Tamura, Hironori Kokubo, Gert-Jan Bekker, Tsutomu Yamane, Yuta Isaka, Yukari Sagae, Narutoshi Kamiya, Mitsunori Ikeguchi, Yasushi Okuno:
  "Molecular dynamics unveils multiple-site binding of inhibitors with reduced activity on the surface of dihydrofolate reductase"
  Journal of the American Chemical Society, 146(42): 28685–28695. (2024).
• 5. Masao Inoue, Toru Ekimoto, Tsutomu Yamane, and Mitsunori Ikeguchi:
  "Computational Analysis of Activation of Dimerized Epidermal Growth Factor Receptor Kinase Using the String Method and Markov State Model"
  Journal of Chemical Information and Modeling, 64(9): 3884-3895. (2024).
• 6. Ryo Kanada, Atsushi Tokuhisa, Yusuke Nagasaka, Shingo Okuno, Koichiro Amemiya, Shuntaro Chiba, Gert-Jan Bekker, Narutoshi Kamiya, Koichiro Kato, Yasushi Okuno:
  "Enhanced Coarse-Grained Molecular Dynamics Simulation with a Smoothed Hybrid Potential Using a Neural Network Model"
  Journal of Chemiccal Theory and Computation,20(1): 7-17, (2024).
• 7. Naoki Ogawa, Masateru Ohta, Mitsunori Ikeguchi:
  "Conformational Selectivity of ITK Inhibitors: Insights from Molecular Dynamics Simulations”
  Journal of Chemical Information and Modeling,63(24): 7860-7872, (2023).
• 8. Alex Zhu,Shuntaro Chiba,Yuki Shimizu,Katsuhiko Kunitake,Yasushi Okuno,Yoshitsugu Aoki,Toshifumi Yokota:
  "Ensemble-Learning and Feature Selection Techniques for Enhanced Antisense Oligonucleotide Efficacy Prediction in Exon Skipping"
  Pharmaceutics, 15, 7, 1808, 2023.
• 9. Hideaki Ohtomo, Tsutomu Yamane, Takashi Oda, Noriyuki Kodera, Jun-ichi Kurita, Yasuo Tsunaka, Romain Amyot, Mitsunori Ikeguchi, Yoshifumi Nishimura:
  "Dynamic Solution Structures of Whole Human NAP1 Dimer Bound to One and Two Histone H2A-H2B Heterodimers Obtained by Integrative Methods"
  Journal of Molecular Biology, 435(15): 168189. (2023).
• 10. Tsutomu Yamane,Takahiro Nakayama,Toru Ekimoto,Masao Inoue,Keigo Ikezaki ,Hiroshi Sekiguchi,Masahiro Kuramochi,Yasuo Terao,Ken Judai,Minoru Saito ,Mitsunori Ikeguchi,Yuji C. Sasaki:
  "Comparison of the Molecular Motility of Tubulin Dimeric Isoforms: Molecular Dynamics Simulations and Diffracted X-ray Tracking Study"
  International Journal of Molecular Sciences, 24(20): 15423. (2023).

研究成果（プレスリリース）

• 

  2021年6月9日
  遺伝性神経・筋疾患の治療法開発を目的としたエクソン・スキップのデータベースおよび機械学習モデルに基づいた予測システムを世界で初めて開発・公開しました

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採用情報

募集職種	応募締切
研究員（無期雇用職）募集（25-974）	2025年9月5日
パートタイマー募集（25-916）	ポストが決まり次第
テクニカルスタッフⅠまたはⅡ募集（Y25005）	ポストが決まり次第

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