Rchr
J-GLOBAL ID:200901061895646668
Update date: Jan. 09, 2025 Re Suyong
リ スヨン | Re Suyong
Affiliation and department: Homepage URL (1): https://mizuguchilab.org Research field (3):
Basic physical chemistry
, Biophysics
, Biological, health, and medical informatics
Research keywords (1):
分子シミュレーション、生体分子認識、構造ベース創薬
Research theme for competitive and other funds (17): - 2024 - 2027 細胞表面糖鎖クラスターの構造-機能相関と予測基盤の開発
- 2024 - 2025 ペプチド阻害剤設計の動的構造基盤の構築
- 2024 - 2025 分子動力学計算によるガングリオシド-レクチン結合の自由エネルギー解析
- 2022 - 2025 静的局所環境の学習によるタンパク質動的構造情報の抽出
- 2023 - 2024 糖鎖シールド環境における糖鎖-抗体結合の自由エネルギー解析
- 2023 - 2024 タンパク質リン酸化ペプチドの結合自由エネルギー評価
- 2021 - 2024 非天然α-アミノ酸を用いた中分子ペプチド医薬品創成
- 2021 - 2024 Development of a new design method for artificial nucleic acids
- 2019 - 2022 糖鎖クラスタの立体構造計算法の開発とワクチン設計への応用
- 2016 - 2019 Development and application of a conformational search model to predict three-dimensional structural ensembles of glycans
- 2013 - 2017 Structural analysis of asymmetrically branched glycans
- 2013 - 2016 Modeling and database development for complex glycans
- 2013 - 2014 Prediction of Protein-Glycan Structure Complex with Low Binding Affinity
- 2012 - 2013 リガンド・レセプター複合体の構造解析を通したシグナリング機構の解明
- 2011 - 2012 NMR 化学シフトを用いた糖鎖の立体構造計算法の確立
- 2005 - 2007 Theoretical Study on Mechanism of Acid-Ionization in Aqueous Solution
- 2000 - 2002 水溶液内プロトン移動機構に関する理論的研究
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Papers (73): -
Piotr Chyży, Marta Kulik, Ai Shinobu, Suyong Re, Yuji Sugita, Joanna Trylska. Molecular dynamics in multidimensional space explains how mutations affect the association path of neomycin to a riboswitch. Proceedings of the National Academy of Sciences. 2024. 121. 15
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Yulong Gou, Suyong Re, Kenji Mizuguchi, Chioko Nagao. Impact of Hydrogen Bonding on P-Glycoprotein Efflux Transport as Revealed by Evaluation of a De Novo Prediction Model. ACS Medicinal Chemistry Letters. 2023
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Yosui Nojima, Masahiko Aoki, Suyong Re, Hidekazu Hirano, Yuichi Abe, Ryohei Narumi, Satoshi Muraoka, Hirokazu Shoji, Kazufumi Honda, Takeshi Tomonaga, et al. Integration of pharmacoproteomic and computational approaches reveals the cellular signal transduction pathways affected by apatinib in gastric cancer cell lines. Computational and Structural Biotechnology Journal. 2023. 21. 2172-2187
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Yoshinobu Igarashi, Suyong Re, Ryosuke Kojima, Yasushi Okuno, Hiroshi Yamada. Development of a GCN-based model to predict <i>in vitro</i> phototoxicity from the chemical structure and HOMO-LUMO gap. The Journal of Toxicological Sciences. 2023. 48. 5. 243-249
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Yuhi Hosoe, Yohei Miyanoiri, Suyong Re, Saki Ochi, Yuya Asahina, Toru Kawakami, Masataka Kuroda, Kenji Mizuguchi, Masayuki Oda. Structural dynamics of the N-terminal SH2 domain of PI3K in its free and CD28-bound states. The FEBS Journal. 2022. 290. 9. 2366-2378
more... MISC (29): -
森脇由隆, 大上雅史, 岡野原大輔, 田口英樹, 白水美香子, 新津藍, 李秀栄, 神谷由紀子. 緊急特集 AlphaFold3:その正体を探る. 現代化学. 2024. 640. 17-22
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李 秀栄. 「連結シミュレーション」による分子標的薬「イマチニブ」のタンパク質結合経路の予測. CBI学会誌. 2023. 11. 3. 3-4
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Suyong Re. Molecular dynamics simulation of glycans. GlycoWord. 2023
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Hisham M. Dokainish, Suyong Re, Takaharu Mori, Chigusa Kobayashi, Jaewoon Jung, Yuji Sugita. Unraveling SARS-CoV-2 spike protein activation pathway reveals unprecedented cryptic pockets. BIOPHYSICAL JOURNAL. 2022. 121. 3. 457A-457A
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李秀栄, DOKAINISH Hisham M, 森貴治, 小林千草, JUNG Jaewoon, 杉田有治. 「富岳」を用いた SARS-CoV-2 受容体結合ドメインの動的構造 解析. アンサンブル. 2022. 24. 1. 7-14
more... Books (2): - 創薬研究のための相互作用解析パーフェクト : 低中分子・抗体創薬におけるスクリーニング戦略と実例、in silico解析、一歩進んだ分析技術まで
羊土社 2021 ISBN:9784758122566
- Replica Exchange Methods for Biomolecular Simulation. In: Bonomi M., Camilloni C. (eds) Biomolecular Simulations. Methods in Molecular Biology
Humana Press, New York, NY 2019 ISBN:9781493996070
Lectures and oral presentations (67): -
Structure and stability of glycan interaction network on the HIV envelope glycoprotein
(2024)
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糖鎖シールド環境における糖鎖-抗体結合の自由エネルギー解析
(第11回「富岳」を中核とするHPCIシステム利用研究課題成果報告会 2024)
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1. Integrated informatics and molecular simulation for modeling antibody epitopes on viral envelope glycoproteins
(1st Asia & Pacific Bioinformatics Joint Conference (APBJC2024) 2024)
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HIVエンベープ糖タンパク質の糖鎖ネットワーク解析
(第43回日本糖質学会年会 2024)
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Impact of glycan shielding on antibody epitopes on viral envelope proteins revealed by molecular dynamics simulations
(21st IUPAB and 62nd BSJ Joint Congress 2024 (IUPAB2024) 2024)
more... Education (5): - 1997 - 2001 Rikkyo University
- 1998 - 1999 Emory University Department of Chemistry Visiting Student
- 1997 - 1998 The University of Georgia Center for Computational Quantum Chemistry Visiting Student
- 1995 - 1997 Rikkyo University Graduate School of Science Department of Chemistry
- 1990 - 1994 Kore University (Japan) Faculty of Science Department of Chemistry
Professional career (1): Work history (13): - 2024/04 - 現在 National Institutes of Biomedical Innovation, Health and Nutrition Artificial Intelligence Center for Health and Biomedical Research Laboratory of in-silico design, Project Leader
- 2022/04 - 2024/03 National Institutes of Biomedical Innovation, Health and Nutrition Artificial Intelligence Center for Health and Biomedical Research Senior Researcher
- 2021/04 - 2022/03 National Institutes of Biomedical Innovation, Health and Nutrition Artificial Intelligence Center for Health and Biomedical Research Project researcher
- 2020/06 - 2021/03 National Institutes of Biomedical Innovation, Health and Nutrition Center for Drug Design Research project research scientist
- 2018/04 - 2020/05 RIKEN Center for Biosystems Dynamics Research Senior Scientist
- 2016/04 - 2018/03 RIKEN Quantitative Biology Center Senior Scientist
- 2011/12 - 2016/03 RIKEN ASI Research Scientist, Research Scientist
- 2009/04 - 2016/03 Rikkyo University Faculty of science Lecturer (part-time)
- 2013/04 - 2014/03 Rikkyo University Graduate school of science Lecturer (part-time)
- 2013/04 - 2014/03 Kobe University Graduate school of science Lecturer (part-time)
- 2008/01 - 2011/11 RIKEN Contract Reseacher
- 2005/04 - 2007/12 Ecole Normale Sup ́erieure (Paris, France) Department of Chemistry JSPS fellowship for research abroad, CNRS postdoctoral fellow, MBI postdoctoral fellow
- 2001/04 - 2005/03 Institute for Molecular Science JSPS postdoctoral fellowship, Industry-Government-Academia Collaboration Research fellow
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Awards (4): - 2024/02 - 内閣府 第6回 日本オープンイノベーション大賞 文部科学大臣賞 分子動力学ソフトウェアGENESISの開発と社会実装
- 2015/07 - Research Organization for Information Science and Technology (RIST) HPCI excellent achievement award
- 2003/05 - 文部科学省所管公益法人 財団法人 金萬有科学振興会 第 20 回研究奨励賞受賞 弱い分子間相互作用に関する理論的研究
- 2001/05 - 文部科学省所管公益法人 財団法人 金萬有科学振興会 第 18 回研究奨励賞受賞 水和クラスター内酸解離反応に関する理論的研究
Association Membership(s) (4):
THE JAPANESE SOCIETY OF CARBOHYDRATE RESEARCH
, THE BIOPHYSICAL SOCIETY OF JAPAN
, THE CHEMICAL SOCIETY OF JAPAN
, 情報計算化学生物学会(CBI学会)
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