RE Suyong 李秀栄

Researcher Number	50390670
Other IDs
Affiliation (Current)	2021: 国立研究開発法人医薬基盤・健康・栄養研究所, 医薬基盤研究所 AI健康・医薬研究センター, プロジェクト研究員
Affiliation (based on the past Project Information) *help	2018 – 2019: 国立研究開発法人理化学研究所, 生命機能科学研究センター, 上級研究員 2016 – 2017: 国立研究開発法人理化学研究所, 生命システム研究センター, 上級研究員 2015: 国立研究開発法人理化学研究所, 杉田理論分子科学研究室, 研究員 2013 – 2014: 独立行政法人理化学研究所, 杉田理論分子科学研究室, 研究員 2013: 理化学研究所, 杉田理論分子科学研究室, 研究員
Review Section/Research Field	Principal Investigator Life / Health / Medical informatics / Basic Section 62010:Life, health and medical informatics-related Except Principal Investigator Physical pharmacy / Life / Health / Medical informatics
Keywords	Principal Investigator 分子動力学計算 / レプリカ交換法 / 立体構造予測 / N型糖鎖 / 分子動力学シミュレーション / 拡張アンサンブル法 / イオンモビリティー質量スペクトル / 衝突断面積 / 糖鎖 / 立体構造アンサンブル … More Except Principal Investigator 糖鎖 / レクチン / ダイナミクス / NMR / 分枝構造 / 相互作用 / Ｘ線結晶構造解析 / 分子動力学 / 立体構造 / Dectin-1 / βグルカン / 気相電気泳動法 / 大量発現 / Calsepa / PHA-E / DCIR / ZG16p / PIM / N型糖鎖 / バイセクトGlcNAc / GnT-III / CLEC-2 / DCIR2 / 分子シミュレーション / 糖鎖複合体 / 自由エネルギー計算 / 分子認識 / レクチンOS9 / タンパク質ーリガンド認識 / 低親和性複合体構造予測 / レプリカ交換分子動力学法 / CMAP補正 Less

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Principal InvestigatorOngoing
- Principal Investigator
  
  李秀栄
- Project Period (FY)
  2019 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 62010:Life, health and medical informatics-related
- Research Institution
  Institute of Physical and Chemical Research
Development and application of a conformational search model to predict three-dimensional structural ensembles of glycansPrincipal Investigator
- Principal Investigator
  
  Re Suyong
- Project Period (FY)
  2016 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Life / Health / Medical informatics
- Research Institution
  Institute of Physical and Chemical Research
Modeling and database development for complex glycansPrincipal Investigator
- Principal Investigator
  
  Re Suyong
- Project Period (FY)
  2013 – 2015
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Life / Health / Medical informatics
- Research Institution
  Institute of Physical and Chemical Research
Structural analysis of asymmetrically branched glycans
- Principal Investigator
  
  Yamaguchi Yoshiki
- Project Period (FY)
  2013 – 2016
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical pharmacy
- Research Institution
  Institute of Physical and Chemical Research
Prediction of Protein-Glycan Structure Complex with Low Binding Affinity
- Principal Investigator
  
  SUGITA Yuji
- Project Period (FY)
  2013
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Life / Health / Medical informatics
- Research Institution
  Institute of Physical and Chemical Research

All 2019 2018 2017 2016 2015 2014 2013 Other

All Journal Article Presentation Book

[Book] Biomolecular Simulations: Methods and Protocols2019
- Author(s)
  Yuji Sugita, Motoshi Kamiya, Hiraku Oshima, Suyong Re
- Publisher
  Springer
- Data Source
  KAKENHI-PROJECT-16K00415
[Journal Article] Molecular dynamics of glycan2019
- Author(s)
  Suyong Re, Yoshiki Yamaguchi, Yuji Sugita
- Journal Title
  
  Trends in Glycoscience and Glycotechnology
  
  Volume: 印刷中
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K00415
[Journal Article] Encounter Complexes and Hidden Poses of Kinase-Inhibitor Binding on the Free-Energy Landscape.2019
- Author(s)
  Re, S.; Oshima, H.; Kasahara, K.; Kamiya, M.; Sugita, Y.
- Journal Title
  
  Proc. Natl. Acad. Sci.
  
  Volume: 116 Pages: 18404-18409
- DOI
  10.1073/pnas.1904707116
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K12229
[Journal Article] Replica-Exchange Umbrella Sampling Combined with Gaussian Accelerated Molecular Dynamics for Free-Energy Calculation of Biomolecules.2019
- Author(s)
  Oshima, H.; Re, S.; Sugita, Y.
- Journal Title
  
  J. Chem. Theory Comput.
  
  Volume: 15 Pages: 5199-5208
- DOI
  10.1021/acs.jctc.9b00761
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K12229
[Journal Article] Population Shift Mechanism for Partial Agonism of AMPA Receptor2019
- Author(s)
  Oshima H, Re S, Sakakura M, Takahashi H, Sugita Y.
- Journal Title
  
  Biophysical Journal
  
  Volume: 116 Pages: 52-68
- DOI
  10.1016/j.bpj.2018.11.3122
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-18H04626, KAKENHI-PLANNED-18H05426, KAKENHI-PROJECT-18H02393, KAKENHI-PROJECT-16K00415
[Journal Article] De Novo Prediction of Binders and Nonbinders for T4 Lysozyme by GREST Simulations.2019
- Author(s)
  Niitsu, A.; Re, S.; Oshima, H.; Kamiya, M.; Sugita, Y.
- Journal Title
  
  J. Chem. Inf. Model.
  
  Volume: 59 Pages: 3879-3888
- DOI
  10.1021/acs.jcim.9b00416
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K12229
[Journal Article] Characterization of Conformational Ensembles of Protonated N-glycans in the Gas-Phase2018
- Author(s)
  Re Suyong、Watabe Shigehisa、Nishima Wataru、Muneyuki Eiro、Yamaguchi Yoshiki、MacKerell Alexander D.、Sugita Yuji
- Journal Title
  
  Scientific Reports
  
  Volume: 8 Pages: 1-10
- DOI
  10.1038/s41598-018-20012-0
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K00415, KAKENHI-PUBLICLY-16H00811, KAKENHI-PROJECT-16H04758
[Journal Article] Enhanced Sampling of N-Glycans in Solution with Replica State Exchange Metadynamics2017
- Author(s)
  Raimondas Galvelis, Suyong Re, and Yuji Sugita
- Journal Title
  
  J. Chem. There. Comp.
  
  Volume: 13 Pages: 1934-1942
- DOI
  10.1021/acs.jctc.7b00079
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-16K00415, KAKENHI-PLANNED-26119006
[Journal Article] Dynamics and Interactions of OmpF and LPS: Influence on Pore Accessibility and Ion Permeability.2016
- Author(s)
  Dhilon S. Patel, Suyong Re, Emilia L. Wu, Yifei Qi, Phillip E. Klebba, Goran Widmalm, Min Sun Yeom, Yuji Sugita and Wonpil Im
- Journal Title
  
  Biophysical Journal
  
  Volume: 110 Pages: 930-938
- DOI
  10.1016/j.bpj.2016.01.002
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-25330358
[Journal Article] REIN: Replica-Exchange INterface for Simulating Protein Dynamics and Function2015
- Author(s)
  Naoyuki Miyashita, Suyong Re, Yuji Sugita
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 115 Pages: 325-332
- DOI
  10.1002/qua.24785
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-25330358, KAKENHI-PROJECT-26330341
[Journal Article] Discovery, primary and crystal structures, and capacitation-related properties of a prostate-derived heparin-binding protein WGA16 from boar sperm.2015
- Author(s)
  Estelle Garenaux, Mayumi Kanagawa, Tomoyuki Tsuchiyama, Kazuki Hori, Takeru Kanazawa, Ami Goshima, Mitsuru Chiba, Hiroshi Yasue, Akemi Ikeda, Yoshiki Yamaguchi, Chihiro Sato, Ken Kitajima
- Journal Title
  
  J. Biol. Chem.
  
  Volume: 9 Pages: 5484-501
- DOI
  10.1074/jbc.m114.635268
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-25292216, KAKENHI-PROJECT-25460054, KAKENHI-PROJECT-25291072
[Journal Article] Joint Seminar between RIKEN and Glycoinformatics Young Scientist Community2014
- Author(s)
  Suyong Re
- Journal Title
  
  TIGG
  
  Volume: 26 Issue: 149 Pages: 71-72
- DOI
  10.4052/tigg.26.71
- NAID
  130004841384
- ISSN
  0915-7352, 1883-2113
- Language
  Japanese
- Open Access
- Data Source
  KAKENHI-PROJECT-25330358
[Journal Article] CHARMM Force-Fields with Modified Polyphosphate Parameters Allow Stable Simulation of the ATP-Bound Structure of Ca2+-ATPase2014
- Author(s)
  Yasuaki Komuro, Suyong Re, Chigusa Kobayashi, Eiro Muneyuki and Yuji Sugita
- Journal Title
  
  J. Chem. Theory Comput.
  
  Volume: 10 Pages: 4133-4142
- DOI
  10.1021/ct5004143
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-14J05682, KAKENHI-PROJECT-24570187, KAKENHI-PROJECT-25330358, KAKENHI-PUBLICLY-26103528
[Journal Article] Synthesis of N-glycan units for assessment of substrate structural requirements of N-acetylglucosaminyltransferase III.2014
- Author(s)
  2.Shinya Hanashima, Hiroaki Korekane, Naoyuki Taniguchi, Yoshiki Yamaguchi
- Journal Title
  
  Bioorg. Med. Chem. Lett.
  
  Volume: 24 Pages: 4533-4537
- DOI
  10.1016/j.bmcl.2014.07.074
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-24710257, KAKENHI-PROJECT-25460054, KAKENHI-PROJECT-26440051
[Journal Article] A Mosaic of Water Orientation Structures at Neutral Zwitterion Lipid/Water Interface Revealed by Molecular Dynamics Simulations2014
- Author(s)
  Syong RE, Wataru NISHIMA, Tahei TAHARA and Yuji SUGITA
- Journal Title
  
  Journal of Physical Chemistry Letters
  
  Volume: 5 Pages: 4343-4348
- DOI
  10.1021/jz502299m
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25104005, KAKENHI-PROJECT-25330358, KAKENHI-PLANNED-26119006
[Presentation] Free energy analysis of ATP competitive inhibitor-protein kinase bindings.2019
- Author(s)
  李秀栄, 尾嶋拓, 杉田有治
- Organizer
  第57回日本生物物理学会年会
- Data Source
  KAKENHI-PROJECT-19K12229
[Presentation] レプリカ交換法を用いたタンパク質ーリガンド結合計算2019
- Author(s)
  李秀栄
- Organizer
  第2回近畿大学先端技術総合研究所高圧力蛋白質研究センターセミナー
- Invited
- Data Source
  KAKENHI-PROJECT-16K00415
[Presentation] Revealing Drug-Target Binding Pathway using Two-dimensional Replica-Exchange Molecular Dynamics Method2019
- Author(s)
  Suyong Re, Hiraku Oshima, Kento Kasahara, Motoshi Kamiya, and Yuji Sugita
- Organizer
  The 1st R-CCS International Symposium
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K00415
[Presentation] Binding free-energy analysis of Src protein inhibitors using 2D-Replica-Exchange Molecular Dynamics (gREST/REUS) simulation2019
- Author(s)
  李秀栄, 尾嶋拓, 杉田有治
- Organizer
  第19回日本蛋白質科学会年会
- Data Source
  KAKENHI-PROJECT-19K12229
[Presentation] 拡張アンサンブル法に基づく細胞膜受容体・リガンド結合の自由エネルギー解析2018
- Author(s)
  李秀栄, 尾嶋拓, 新津藍, 杉田有治
- Organizer
  第5回「京」を中核とするHPCIシステム利用研究課題成果報告会
- Data Source
  KAKENHI-PROJECT-16K00415
[Presentation] REMD-based flexible docking2018
- Author(s)
  Suyong Re, Hiraku Oshima, Motoshi Kamiya, and Yuji Sugita
- Organizer
  日本化学会第98春季年会
- Data Source
  KAKENHI-PROJECT-16K00415
[Presentation] ダイナミックドッキングによる結合親和性予測2018
- Author(s)
  李秀栄
- Organizer
  CBI学会2018年大会
- Invited
- Data Source
  KAKENHI-PROJECT-16K00415
[Presentation] 分子動力学シミュレーションによる生体分子機能モデリング2018
- Author(s)
  李秀栄
- Organizer
  第1回近畿大学生物理工学部HPCシンポジウム
- Invited
- Data Source
  KAKENHI-PROJECT-16K00415
[Presentation] Extensive molecular dynamics sampling characterizes ligand binding pathway to Src kinase2018
- Author(s)
  李秀栄, 尾嶋拓, 神谷基司, 杉田有治
- Organizer
  第56回日本生物物理学会年会
- Data Source
  KAKENHI-PROJECT-16K00415
[Presentation] Incorporation of protein flexibility into ligand binding simulation2017
- Author(s)
  Suyong Re, Hiraku Oshima, Motoshi Kamiya, and Yuji Sugita
- Organizer
  第55回日本生物物理学会年会
- Data Source
  KAKENHI-PROJECT-16K00415
[Presentation] レプリカ交換分子動力学法を用いたフレキシブルドッキング2017
- Author(s)
  李秀栄
- Organizer
  第3回ポスト「京」重点課題1ワークショップ
- Data Source
  KAKENHI-PROJECT-16K00415
[Presentation] Flexible Docking using Replica-Exchange Molecular Dynamics Simulation2017
- Author(s)
  李秀栄
- Organizer
  CBI学会2017年大会
- Invited
- Data Source
  KAKENHI-PROJECT-16K00415
[Presentation] イオンモビリティー質量分析における衝突断面積の物理化学的な決定因子2017
- Author(s)
  李秀栄、渡部茂久、二島渉、宗行英朗、山口芳樹、杉田有治
- Organizer
  第36回日本糖質学会年会
- Data Source
  KAKENHI-PROJECT-16K00415
[Presentation] Modeling flexible biomolecules by MD simulations with enhanced sampling2016
- Author(s)
  李秀栄、杉田有治
- Organizer
  RIKEN QBiC Retreat 2016
- Place of Presentation
  淡路夢舞台国際会議場（淡路）
- Year and Date
  2016-06-20
- Data Source
  KAKENHI-PROJECT-16K00415
[Presentation] Ion mobility spectrometry separation of isomeric N-glycan structures2016
- Author(s)
  Yamaguchi Y, Hirose K, Nishima W, Re S, Sugita Y
- Organizer
  RIKEN-Max Planck Joint Research Center for Systems Chemical Biology ５th Annual Symposium
- Place of Presentation
  Berlin, Germany
- Year and Date
  2016-04-18
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-25460054
[Presentation] グライコフォームを予測する革新的理論化学2016
- Author(s)
  李秀栄
- Organizer
  第35回日本糖質学会年会
- Place of Presentation
  高知市文化プラザ（高知）
- Year and Date
  2016-09-01
- Invited
- Data Source
  KAKENHI-PROJECT-16K00415
[Presentation] Hydration structure at ceramide/water interface: A molecular dynamics simulation study.2015
- Author(s)
  Suyong Re, Wataru Nishima, Tahei Tahara, Yuji Sugita
- Organizer
  第53回日本生物物理学会年会
- Place of Presentation
  金沢大学（石川県、金沢市）
- Year and Date
  2015-09-13
- Data Source
  KAKENHI-PROJECT-25330358
[Presentation] 構造から機能へ：糖鎖科学における計算化学の挑戦2015
- Author(s)
  李秀栄
- Organizer
  第88回日本生化学会大会合同大会（BMB2015）
- Place of Presentation
  神戸ポートアイランド（兵庫県、神戸市）
- Year and Date
  2015-12-04
- Invited
- Data Source
  KAKENHI-PROJECT-25330358
[Presentation] Modeling the MAPK/ERK pathway under crowding environment by the combined multi-scale simulations.2015
- Author(s)
  Suyong Re, Po-Hung Wang, Isseki Yu, and Yuji Sugita
- Organizer
  Supercomputational Life Science 2015 (SCLS2015)
- Place of Presentation
  東京大学（東京都、文京区）
- Year and Date
  2015-10-20
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-25330358
[Presentation] 生体外膜ポーリンOmpFの全原子モデリング2015
- Author(s)
  李秀栄
- Organizer
  「分子システム研究」第4回春合宿
- Place of Presentation
  ラフォーレ倶楽部（静岡県、伊東市）
- Year and Date
  2015-05-15
- Data Source
  KAKENHI-PROJECT-25330358
[Presentation] レプリカ交換分子動力学計算による糖鎖イオン移動度質量スペクトルの予測2015
- Author(s)
  李秀栄、渡部茂久、二島渉、宗行英朗、山口芳樹、杉田有治
- Organizer
  第1回理化学研究所・産業技術総合研究所共同シンポジウム「ビッグデータとビッグシミュレーションによる生命医科学の未来」
- Place of Presentation
  産業技術総合研究所（東京都、江東区）
- Year and Date
  2015-06-29
- Data Source
  KAKENHI-PROJECT-25330358
[Presentation] Quantitative functional analysis of membranes and membrane proteins using molecular dynamics simulation.2015
- Author(s)
  Suyong Re
- Organizer
  第2回「京」を中核とするHPCIシステム利用研究課題成果報告会
- Place of Presentation
  日本科学未来館（東京都、江東区）
- Year and Date
  2015-10-26
- Invited
- Data Source
  KAKENHI-PROJECT-25330358
[Presentation] REMD-based prediction of structure and function of glycans」新学術領域「動的秩序と機能2014
- Author(s)
  李秀栄, 二島渉, 渡部茂久, 杉田有治
- Organizer
  第2回国際シンポジウム
- Place of Presentation
  京都
- Year and Date
  2014-01-12
- Data Source
  KAKENHI-PROJECT-25540138
[Presentation] 計算機を用いた糖鎖立体構造予測~現状と展望2014
- Author(s)
  李秀栄
- Organizer
  第3回コンビナトリアル科学研究推進体セミナー「糖鎖の構造と機能のシンポジウム」
- Place of Presentation
  東京
- Year and Date
  2014-03-11
- Data Source
  KAKENHI-PROJECT-25540138
[Presentation] 計算機を用いた糖鎖立体構造予測～現状と展望2014
- Author(s)
  李秀栄
- Organizer
  第３回コンビナトリアル科学研究推進体セミナー「糖鎖の構造と機能のシンポジウム」
- Place of Presentation
  東京工業大学（東京）
- Invited
- Data Source
  KAKENHI-PROJECT-25330358
[Presentation] Molecular dynamics simulations of glycans: Prediction of IM-MS spectra2014
- Author(s)
  李秀栄
- Organizer
  理研・糖鎖インフォマティクス若手の会合同セミナー
- Place of Presentation
  理化学研究所（埼玉）
- Data Source
  KAKENHI-PROJECT-25330358
[Presentation] REMD-based prediction of structure and function of glycans2014
- Author(s)
  李秀栄、二島渉、渡部茂久、杉田有治
- Organizer
  新学術領域「動的秩序と機能」第２回国際シンポジウム
- Place of Presentation
  キャンパスプラザ京都（京都）
- Data Source
  KAKENHI-PROJECT-25330358
[Presentation] 計算機を用いた糖鎖立体構造予測～現状と展望2014
- Author(s)
  李秀栄
- Organizer
  第３回コンビナトリアル科学研究推進体セミナー「糖鎖の構造と機能のシンポジウム」
- Place of Presentation
  東京工業大学（東京）
- Data Source
  KAKENHI-PROJECT-25540138
[Presentation] Molecular dynamics simulations of glycans : Prediction of IM-MS spectra2014
- Author(s)
  李秀栄
- Organizer
  理研・糖鎖インフォマティクス若手の会合同セミナー
- Place of Presentation
  埼玉
- Year and Date
  2014-02-12
- Data Source
  KAKENHI-PROJECT-25540138
[Presentation] 糖鎖の化学シフト計算と立体構造予測への応用2013
- Author(s)
  李秀栄、山口芳樹、杉田有治
- Organizer
  第７回分子科学討論会
- Place of Presentation
  京都テルサ
- Data Source
  KAKENHI-PROJECT-25540138
[Presentation] 糖鎖の化学シフト計算と立体構造予測への応用2013
- Author(s)
  李秀栄, 山口芳樹, 杉田有治
- Organizer
  第7回分子科学討論会
- Place of Presentation
  京都
- Year and Date
  2013-09-27
- Data Source
  KAKENHI-PROJECT-25540138
[Presentation] Conformational analysis of PA-glycans by replica-exchange molecular dynamics simulation2013
- Author(s)
  渡部茂久, 李秀栄, 二島渉, 宗行英朗, 杉田有治
- Place of Presentation
  神戸
- Year and Date
  2013-11-18
- Data Source
  KAKENHI-PROJECT-25540138
[Presentation] 糖鎖の化学シフト計算と立体構造予測への応用2013
- Author(s)
  李秀栄、山口芳樹、杉田有治
- Organizer
  第７回分子科学討論会
- Place of Presentation
  京都テルサ（京都）
- Data Source
  KAKENHI-PROJECT-25330358
[Presentation] レプリカ交換分子動力学計算によるPA化糖鎖の立体構造解析2013
- Author(s)
  渡部茂久、李秀栄、宗行英朗、杉田有治
- Organizer
  第５１回日本生物物理学会年会
- Place of Presentation
  国立京都国際会館（京都）
- Data Source
  KAKENHI-PROJECT-25330358
[Presentation] Revised CHARMM carbohydrate force field for improved description of conformational diversity of N-glycans2013
- Author(s)
  李秀栄、渡部茂久、二島渉、杉田有治
- Organizer
  第５１回日本生物物理学会年会
- Place of Presentation
  国立京都国際会館（京都）
- Data Source
  KAKENHI-PROJECT-25540138
[Presentation] Prediction of Structure and Dynamics of Glycans from Molecular Dynamics Simulations.2013
- Author(s)
  李秀栄、二島渉、渡部茂久、杉田有治
- Organizer
  3rd International Conference on Molecular Simulation (ICMS2013)
- Place of Presentation
  神戸国際会議場（神戸）
- Data Source
  KAKENHI-PROJECT-25330358
[Presentation] Revised CHARMM carbohydrate force field for improved description of conformational diversity of N-glycans2013
- Author(s)
  李秀栄, 渡部茂久, 二島渉, 杉田有治
- Organizer
  第51回日本生物物理学会年会
- Place of Presentation
  京都
- Year and Date
  2013-10-30
- Data Source
  KAKENHI-PROJECT-25540138
[Presentation] Revised CHARMM carbohydrate force field for improved description of conformational diversity of N-glycans2013
- Author(s)
  李秀栄、渡部茂久、二島渉、杉田有治
- Organizer
  第５１回日本生物物理学会年会
- Place of Presentation
  国立京都国際会館（京都）
- Data Source
  KAKENHI-PROJECT-25330358
[Presentation] レプリカ交換分子動力学計算によるPA 化糖鎖の立体構造解析2013
- Author(s)
  渡部茂久, 李秀栄, 宗行英朗, 杉田有治
- Organizer
  第51回日本生物物理学会年会
- Place of Presentation
  京都
- Year and Date
  2013-10-30
- Data Source
  KAKENHI-PROJECT-25540138
[Presentation] Prediction of Structure and Dynamics of Glycans from Molecular Dynamics Simulations.2013
- Author(s)
  李秀栄、二島渉、渡部茂久、杉田有治
- Organizer
  3rd International Conference on Molecular Simulation (ICMS2013)
- Place of Presentation
  神戸国際会議場（神戸）
- Data Source
  KAKENHI-PROJECT-25540138
[Presentation] Conformational analysis of PA-glycans by replica-exchange molecular dynamics simulation.2013
- Author(s)
  渡部茂久、李秀栄、二島渉、宗行英朗、杉田有治
- Organizer
  3rd International Conference on Molecular Simulation (ICMS2013)
- Place of Presentation
  神戸国際会議場（神戸）
- Data Source
  KAKENHI-PROJECT-25330358
[Presentation] Prediction of Structure and Dynamics of Glycans from Molecular Dynamics Simulations2013
- Author(s)
  李秀栄, 二島渉, 渡部茂久, 杉田有治
- Organizer
  3rd International Conference on Molecular Simulation (ICMS2013)
- Place of Presentation
  神戸
- Year and Date
  2013-11-20
- Data Source
  KAKENHI-PROJECT-25540138
[Presentation] レプリカ交換分子動力学計算を用いた糖鎖イオンモビリティー質量スペクトルの予測
- Author(s)
  李秀栄、渡部茂久、二島渉、山口芳樹、杉田有治
- Organizer
  第３３回日本糖質学会年会
- Place of Presentation
  名古屋大学豊田講堂（名古屋）
- Year and Date
  2014-08-10 – 2014-08-12
- Data Source
  KAKENHI-PROJECT-25330358
[Presentation] 分子動力学シミュレーションによるN型糖鎖衝突断面積の計算
- Author(s)
  李秀栄、渡部茂久、二島渉、宗行英朗、山口芳樹、杉田有治
- Organizer
  第34回日本糖質学会年会
- Place of Presentation
  東京大学安田講堂（東京）
- Year and Date
  2015-07-31 – 2015-08-02
- Data Source
  KAKENHI-PROJECT-25330358
[Presentation] 分子動力学計算を用いた生体分子システムの動的構造解析
- Author(s)
  李秀栄
- Organizer
  「分子システム研究」第3回春合宿
- Place of Presentation
  かんぽの宿彦根（滋賀）
- Year and Date
  2014-04-24 – 2014-04-25
- Data Source
  KAKENHI-PROJECT-25330358
[Presentation] Experimental and theoretical approaches to understand the conformational differences in isomeric
- Author(s)
  Y. Yamaguchi, K. Matsumoto, K. Hirose, W. Nishima, S. Re, Y. Sugita
- Organizer
  22nd International Symposium on Glycoconjugates
- Place of Presentation
  Dalian, China
- Invited
- Data Source
  KAKENHI-PROJECT-25460054
[Presentation] A mosaic of water orientation structures at a neutral zwitterion lipid/water interface revealed by molecular dynamics simulations.
- Author(s)
  李秀栄、二島渉、田原太平、杉田有治
- Organizer
  5th AICS International Symposium
- Place of Presentation
  理化学研究所計算科学研究機構（神戸）
- Year and Date
  2014-12-08 – 2014-12-09
- Data Source
  KAKENHI-PROJECT-25330358
[Presentation] Structure and orientation of hydrating water molecules at phospholipid/water interface revealed by molecular dynamics simulation.
- Author(s)
  李秀栄、二島渉、田原太平、杉田有治
- Organizer
  第52回日本生物物理学会年会
- Place of Presentation
  札幌コンベンションセンター（札幌）
- Year and Date
  2014-09-25 – 2014-09-27
- Data Source
  KAKENHI-PROJECT-25330358
[Presentation] Confident Identification of Isomeric N-glycan Structures by Combined Ion Mobility Mass Spectrometry and Hydrophilic Interaction Liquid Chromatograph
- Author(s)
  Y. Yamaguchi, K. Hirose, W. Nishima, S. Re and Y. Sugita
- Organizer
  American Society for Mass Spectrometry (ASMS)
- Place of Presentation
  Minneapolis, USA
- Data Source
  KAKENHI-PROJECT-25460054

1. SUGITA Yuji (80311190)

# of Collaborated Projects: 4 results

# of Collaborated Products: 42 results
2. YAMAGUCHI Yoshiki (90323451)

# of Collaborated Projects: 4 results

# of Collaborated Products: 15 results
3. HANASHIMA Shinya (50373353)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
4. NAGAE Masamichi (60619873)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. GALVELIS Raimondas

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
6. KOREKANE Hiroaki

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
7. 宗行英朗

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
8. 宮下尚之

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
9. 北島健

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
10. 佐藤ちひろ

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
11. 田原太平

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
12. 高橋栄夫

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

RE Suyong 李 秀栄

Research Projects

Research Products

Co-Researchers

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Principal InvestigatorOngoing

Principal Investigator

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Review Section

Research Institution

Development and application of a conformational search model to predict three-dimensional structural ensembles of glycansPrincipal Investigator

Principal Investigator

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Research Institution

Modeling and database development for complex glycansPrincipal Investigator

Principal Investigator

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Research Institution

Structural analysis of asymmetrically branched glycans

Principal Investigator

Project Period (FY)

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Research Institution

Prediction of Protein-Glycan Structure Complex with Low Binding Affinity

Principal Investigator

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Research Institution

[Book] Biomolecular Simulations: Methods and Protocols2019

Author(s)

Publisher

Data Source

[Journal Article] Molecular dynamics of glycan2019

Author(s)

Journal Title

Data Source

[Journal Article] Encounter Complexes and Hidden Poses of Kinase-Inhibitor Binding on the Free-Energy Landscape.2019

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Replica-Exchange Umbrella Sampling Combined with Gaussian Accelerated Molecular Dynamics for Free-Energy Calculation of Biomolecules.2019

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Population Shift Mechanism for Partial Agonism of AMPA Receptor2019

Author(s)

Journal Title

DOI

Data Source

[Journal Article] De Novo Prediction of Binders and Nonbinders for T4 Lysozyme by GREST Simulations.2019

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Characterization of Conformational Ensembles of Protonated N-glycans in the Gas-Phase2018

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Enhanced Sampling of N-Glycans in Solution with Replica State Exchange Metadynamics2017

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Dynamics and Interactions of OmpF and LPS: Influence on Pore Accessibility and Ion Permeability.2016

Author(s)

Journal Title

DOI

Data Source

[Journal Article] REIN: Replica-Exchange INterface for Simulating Protein Dynamics and Function2015

Author(s)

Journal Title

RE Suyong 李秀栄