Sugita Masatake 杉田昌岳

Researcher Number	30737523
Other IDs
Affiliation (Current)	2025: 東京科学大学, 情報理工学院, 研究員
Affiliation (based on the past Project Information) *help	2019 – 2024: 東京工業大学, 情報理工学院, 研究員 2018: 立命館大学, 生命科学部, 助教
Review Section/Research Field	Principal Investigator Basic Section 62010:Life, health and medical informatics-related / Basic Section 43040:Biophysics-related
Keywords	Principal Investigator 創薬 / 分子動力学シミュレーション / 3D-RISM理論 / 揺らぎ / 機械学習 / 膜透過 / 環状ペプチド / アンサンブルドッキング / ゆらぎ / フラグメントベースドッキング … More / 分子間相互作用 / 溶媒和 / 3D-RISM / ドッキング / インシリコ創薬 / 生物物理 / 3D－RISM / 統計力学理論 / 生物物理学 / 統計力学 Less

Research Projects
(3 results)
Research Products
(9 results)

シミュレーションと学習による環状ペプチド膜透過性の汎用的・低コストな予測法の開発Principal Investigator
- Principal Investigator
  
  杉田昌岳
- Project Period (FY)
  2024 – 2026
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 62010:Life, health and medical informatics-related
- Research Institution
  Tokyo Institute of Technology
Development of a fragment-based docking method based on statistical mechanics of molecular liquidsPrincipal Investigator
- Principal Investigator
  
  Sugita Masatake
- Project Period (FY)
  2021 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 62010:Life, health and medical informatics-related
- Research Institution
  Tokyo Institute of Technology
Development of an analytical method for calculating fluctuations based on 3D-RISM theoryPrincipal Investigator
- Principal Investigator
  
  Sugita Masatake
- Project Period (FY)
  2018 – 2020
- Research Category
  
  Grant-in-Aid for Early-Career Scientists
- Review Section
  
  Basic Section 43040:Biophysics-related
- Research Institution
  Tokyo Institute of Technology
  Ritsumeikan University

All 2023 2021 2020 2019 2018

All Journal Article Presentation

[Journal Article] Computational Screening of a Functional Cyclodextrin Derivative for Suppressing a Side Effect of Doxorubicin2021
- Author(s)
  Sugita Masatake、Kuwano Izumi、Higashi Taishi、Motoyama Keiichi、Arima Hidetoshi、Hirata Fumio
- Journal Title
  
  The Journal of Physical Chemistry B
  
  Volume: 125 Issue: 9 Pages: 2308-2316
- DOI
  10.1021/acs.jpcb.1c00373
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K14666
[Journal Article] Molecular Recognition and Self-Organization in Life Phenomena Studied by a Statistical Mechanics of Molecular Liquids, the RISM/3D-RISM Theory2021
- Author(s)
  Sugita Masatake、Onishi Itaru、Irisa Masayuki、Yoshida Norio、Hirata Fumio
- Journal Title
  
  Molecules
  
  Volume: 26 Issue: 2 Pages: 271-271
- DOI
  10.3390/molecules26020271
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K14666
[Journal Article] New Protocol for Predicting the Ligand-Binding Site and Mode Based on the 3D-RISM/KH Theory2020
- Author(s)
  Sugita Masatake、Hamano Masataka、Kasahara Kota、Kikuchi Takeshi、Hirata Fumio
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 16 Issue: 4 Pages: 2864-2876
- DOI
  10.1021/acs.jctc.9b01069
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K14666
[Presentation] Evaluation of the ability of 3D-RISM theory to identify the correct binding mode of small molecule ligands2023
- Author(s)
  Masatake Sugita
- Organizer
  CBI学会2023年大会
- Data Source
  KAKENHI-PROJECT-21K12106
[Presentation] 3D－RISM理論を応用した溶液中におけるペプチドの構造揺らぎの解析2020
- Author(s)
  杉田昌岳
- Organizer
  第58回日本生物物理学会年会
- Data Source
  KAKENHI-PROJECT-18K14666
[Presentation] Developing a semi-analytical method for analyzing structural fluctuations of a molecule in solution phase by means of 3D-RISM theory2019
- Author(s)
  Masatake Sugita
- Organizer
  The 10th TOYOTA RIKEN International Workshop
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K14666
[Presentation] Analysis of structural fluctuations of Met-enkephalin in the solution phase by means of 3D-RISM theory2019
- Author(s)
  Masatake Sugita and Fumio Hirata
- Organizer
  第57回日本生物物理学会年会
- Data Source
  KAKENHI-PROJECT-18K14666
[Presentation] 3D-RISM理論を応用した溶液中におけるMet-enkephalinの構造揺らぎの解析2018
- Author(s)
  杉田昌岳、平田文男
- Organizer
  第 56 回生物物理学会年会
- Data Source
  KAKENHI-PROJECT-18K14666
[Presentation] 3D-RISM理論を応用した生体高分子の機能解析法の開発2018
- Author(s)
  杉田昌岳
- Organizer
  第 1 回松山道後・分子論セミナー
- Invited
- Data Source
  KAKENHI-PROJECT-18K14666

Sugita Masatake 杉田 昌岳

Research Projects

Research Products

シミュレーションと学習による環状ペプチド膜透過性の汎用的・低コストな予測法の開発Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Development of a fragment-based docking method based on statistical mechanics of molecular liquidsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Development of an analytical method for calculating fluctuations based on 3D-RISM theoryPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

[Journal Article] Computational Screening of a Functional Cyclodextrin Derivative for Suppressing a Side Effect of Doxorubicin2021

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Molecular Recognition and Self-Organization in Life Phenomena Studied by a Statistical Mechanics of Molecular Liquids, the RISM/3D-RISM Theory2021

Author(s)

Journal Title

DOI

Data Source

[Journal Article] New Protocol for Predicting the Ligand-Binding Site and Mode Based on the 3D-RISM/KH Theory2020

Author(s)

Journal Title

DOI

Data Source

[Presentation] Evaluation of the ability of 3D-RISM theory to identify the correct binding mode of small molecule ligands2023

Author(s)

Organizer

Data Source

[Presentation] 3D－RISM理論を応用した溶液中におけるペプチドの構造揺らぎの解析2020

Author(s)

Organizer

Data Source

[Presentation] Developing a semi-analytical method for analyzing structural fluctuations of a molecule in solution phase by means of 3D-RISM theory2019

Author(s)

Organizer

Data Source

[Presentation] Analysis of structural fluctuations of Met-enkephalin in the solution phase by means of 3D-RISM theory2019

Author(s)

Organizer

Data Source

[Presentation] 3D-RISM理論を応用した溶液中におけるMet-enkephalinの構造揺らぎの解析2018

Author(s)

Organizer

Data Source

[Presentation] 3D-RISM理論を応用した生体高分子の機能解析法の開発2018

Author(s)

Organizer

Data Source

Sugita Masatake 杉田昌岳