HAYAKAWA DAICHI 早川大地

… Alternative Names

Hayakawa Daichi 早川大地

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Researcher Number	20761141
Other IDs
Affiliation (Current)	2025: 昭和医科大学, 薬学部, 講師
Affiliation (based on the past Project Information) *help	2024: 昭和大学, 薬学部, 講師 2020 – 2021: 昭和大学, 薬学部, 講師 2017 – 2019: 昭和大学, 薬学部, 助教 2016: 北里大学, 薬学部, 特任助教
Review Section/Research Field	Principal Investigator Basic Section 62010:Life, health and medical informatics-related / Basic Section 47020:Pharmaceutical analytical chemistry and physicochemistry-related / Wood science
Keywords	Principal Investigator in silico SBDD/FBDD / 非典型分子間相互作用 / in silico 創薬 / インシリコ装薬 / 量子化学計算 / 非典型非共有結合 / 分子力学 / ポテンシャル関数 / 分子間相互作用 / 分子力場関数 … More / 分子モデル / 構造活性相関 / インシリコ創薬 / 弱い水素結合 / ハロゲン結合 / 分子相互作用場 / 高分子構造・物性 / セルロース科学 / 複屈折の計算 / セルロースアセテート / 光学特性ダイアグラム / 複屈折予測 / 光学フィルム / 密度汎関数法 / 計算化学 / 複屈折 / セルロース誘導体 Less

Calculation of three-dimensional functions describing non-conventional molecular interactions and their applications for SBDD/FBDD technologiesPrincipal Investigator
- Principal Investigator
  
  早川大地
- 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
  Showa University
Computation of molecular interaction field using quantum chemistry calculation and probe molecules and its application to structure-activity relationshipPrincipal Investigator
- Principal Investigator
  
  Hayakawa Daichi
- Project Period (FY)
  2018 – 2021
- Research Category
  
  Grant-in-Aid for Early-Career Scientists
- Review Section
  
  Basic Section 47020:Pharmaceutical analytical chemistry and physicochemistry-related
- Research Institution
  Showa University
Development of a prediction method and diagram representation of optical properties of cellulose derivatives based on computational chemistryPrincipal Investigator
- Principal Investigator
  
  Hayakawa Daichi
- Project Period (FY)
  2016 – 2018
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Wood science
- Research Institution
  Showa University
  Kitasato University

All 2021 2020 2019 2018 2016

All Journal Article Presentation

[Journal Article] Unpolarizable molecular model describing electron distribution for treating halogen bonds2021
- Author(s)
  Hayakawa Daichi、Watanabe Yurie、Gouda Hiroaki
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 779 Pages: 138824-138824
- DOI
  10.1016/j.cplett.2021.138824
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-18K14887
[Journal Article] A molecular interaction field describing nonconventional intermolecular interactions and its application to protein-ligand interaction prediction2020
- Author(s)
  Daichi Hayakawa, Nahoko Sawada, Yurie Watanabe, Hiroaki Gouda
- Journal Title
  
  Journal of Molecular Graphics and Modelling
  
  Volume: 96 Pages: 107515-107515
- DOI
  10.1016/j.jmgm.2019.107515
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K07029, KAKENHI-PROJECT-18K14887
[Journal Article] DFT study of the influence of acetyl groups of cellulose acetate on its intrinsic birefringence and wavelength dependence2019
- Author(s)
  Hayakawa Daichi、Gouda Hiroaki、Hirono Shuichi、Ueda Kazuyoshi
- Journal Title
  
  Carbohydrate Polymers
  
  Volume: 207 Pages: 122-130
- DOI
  10.1016/j.carbpol.2018.11.074
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16K18733, KAKENHI-PROJECT-17K07873
[Presentation] 電荷分布を明示的に記述する分子モデル構築のための電子密度フィッティング法2021
- Author(s)
  早川大地
- Organizer
  第４９回構造活性相関シンポジウム
- Data Source
  KAKENHI-PROJECT-18K14887
[Presentation] Probe-based QM modelingによるタンパク質/リガンド相互作用計算法の検証2020
- Author(s)
  早川大地、渡邉友里江、合田浩明
- Organizer
  日本薬学会第140年会
- Data Source
  KAKENHI-PROJECT-18K14887
[Presentation] 高精度タンパク質-リガンド相互作用解析を目指したprobe-based QM modeling法の考案と検証2019
- Author(s)
  早川大地、渡邉友里江、合田浩明
- Organizer
  第４７回構造活性相関シンポジウム
- Data Source
  KAKENHI-PROJECT-18K14887
[Presentation] タンパク質-リガンド相互作用解析のためのprobe-based QM modeling 法2019
- Author(s)
  早川大地、合田浩明
- Organizer
  第63回日本薬学会関東支部大会
- Data Source
  KAKENHI-PROJECT-18K14887
[Presentation] Non-conventional 相互作用を記述可能な分子相互作用場計算法の構築とタンパク質－リガンド相互作用解析への応用2019
- Author(s)
  早川大地、渡邉友里江、合田浩明
- Organizer
  日本薬学会第139年会
- Data Source
  KAKENHI-PROJECT-18K14887
[Presentation] 薬学に関連した生体高分子のin silico解析2019
- Author(s)
  早川大地
- Organizer
  日本薬学会東海支部特別講演会
- Invited
- Data Source
  KAKENHI-PROJECT-18K14887
[Presentation] 量子化学計算とプローブ分子に基づいた分子相互作用場の算出とタンパク質－リガンド相互作用解析への応用2018
- Author(s)
  早川大地、渡邉友里江、合田浩明
- Organizer
  第46回構造活性相関シンポジウム
- Data Source
  KAKENHI-PROJECT-18K14887
[Presentation] セルロースアセテートのアセチル基が固有複屈折へ及ぼす影響の計算化学による検2018
- Author(s)
  早川大地、合田浩明、上田一義
- Organizer
  セルロース学会第25回年次大会
- Data Source
  KAKENHI-PROJECT-16K18733
[Presentation] セルロース誘導体の側鎖が分極率異方性に及ぼす影響の計算化学による評価2016
- Author(s)
  早川大地、広野修一、上田一義
- Organizer
  セルロース学会第２３回年次大会
- Place of Presentation
  つくばカピオ、つくば市
- Year and Date
  2016-07-14
- Data Source
  KAKENHI-PROJECT-16K18733

1. 合田浩明

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

HAYAKAWA DAICHI 早川 大地

Hayakawa Daichi 早川 大地

Research Projects

Research Products

Co-Researchers

Calculation of three-dimensional functions describing non-conventional molecular interactions and their applications for SBDD/FBDD technologiesPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Computation of molecular interaction field using quantum chemistry calculation and probe molecules and its application to structure-activity relationshipPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Development of a prediction method and diagram representation of optical properties of cellulose derivatives based on computational chemistryPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

[Journal Article] Unpolarizable molecular model describing electron distribution for treating halogen bonds2021

Author(s)

Journal Title

DOI

Data Source

[Journal Article] A molecular interaction field describing nonconventional intermolecular interactions and its application to protein-ligand interaction prediction2020

Author(s)

Journal Title

DOI

Data Source

[Journal Article] DFT study of the influence of acetyl groups of cellulose acetate on its intrinsic birefringence and wavelength dependence2019

Author(s)

Journal Title

DOI

Data Source

[Presentation] 電荷分布を明示的に記述する分子モデル構築のための電子密度フィッティング法2021

Author(s)

Organizer

Data Source

[Presentation] Probe-based QM modelingによるタンパク質/リガンド相互作用計算法の検証2020

Author(s)

Organizer

Data Source

[Presentation] 高精度タンパク質-リガンド相互作用解析を目指したprobe-based QM modeling法の考案と検証2019

Author(s)

Organizer

Data Source

[Presentation] タンパク質-リガンド相互作用解析のためのprobe-based QM modeling 法2019

Author(s)

Organizer

Data Source

[Presentation] Non-conventional 相互作用を記述可能な分子相互作用場計算法の構築とタンパク質－リガンド相互作用解析への応用2019

Author(s)

Organizer

Data Source

[Presentation] 薬学に関連した生体高分子のin silico解析2019

Author(s)

Organizer

Data Source

[Presentation] 量子化学計算とプローブ分子に基づいた分子相互作用場の算出とタンパク質－リガンド相互作用解析への応用2018

Author(s)

Organizer

Data Source

[Presentation] セルロースアセテートのアセチル基が 固有複屈折へ及ぼす影響の計算化学による検2018

Author(s)

Organizer

Data Source

[Presentation] セルロース誘導体の側鎖が分極率異方性に及ぼす影響の計算化学による評価2016

Author(s)

Organizer

Place of Presentation

Year and Date

Data Source

HAYAKAWA DAICHI 早川大地

Hayakawa Daichi 早川大地

[Presentation] セルロースアセテートのアセチル基が固有複屈折へ及ぼす影響の計算化学による検2018