OTAKI Hiroki 大滝大樹

Researcher Number	50632858
Other IDs
Affiliation (Current)	2025: 長崎大学, 医歯薬学総合研究科(医学系), 助教
Affiliation (based on the past Project Information) *help	2019 – 2022: 長崎大学, 医歯薬学総合研究科(医学系), 助教
Review Section/Research Field	Principal Investigator Basic Section 43020:Structural biochemistry-related
Keywords	Principal Investigator 量子化学計算 / 水素結合 / βシート / 分子動力学シミュレーション / プリオン / 疎水性相互作用 / 分子動力学計算 / αシヌクレイン / アミロイド

Elucidation of factors for interspecific differences in alpha-synuclein amyloid aggregation using computational chemistryPrincipal Investigator
- Principal Investigator
  
  OTAKI Hiroki
- Project Period (FY)
  2019 – 2022
- Research Category
  
  Grant-in-Aid for Early-Career Scientists
- Review Section
  
  Basic Section 43020:Structural biochemistry-related
- Research Institution
  Nagasaki University

All 2023 2022 2021 2020 2019

All Journal Article Presentation Book

[Book] Molecular Spectroscopy: A Quantum Chemistry Approach (Chapter 5)2019
- Author(s)
  Kiyoshi Yagi, Hiroki Otaki, Pai-chi Li, Bo Thomsen, Yuji Sugita (Yukihiro Ozaki (Ed.), Marek Januz Wojcik (Ed.), Jurgen Popp (Ed.))
- Total Pages
  640
- Publisher
  Wiley-VCH
- ISBN
  9783527344611
- Data Source
  KAKENHI-PROJECT-19K16058
[Journal Article] Singlet-oxygen photosensitizers with a tetrad structure and a single BODIPY chromophore: An evidence for transition state stabilization of intersystem crossing2023
- Author(s)
  Maki Toshihide、Zhou Zheyang、Irie Yukari、Matsunaga Takahide、Onodera Takae、Imamichi Shoji、Sasaki Yuka、Masutani Mitsuko、Otaki Hiroki、Sakuda Eri、Tanaka Yoshimasa、Murota Hiroyuki
- Journal Title
  
  Dyes and Pigments
  
  Volume: 210 Pages: 110963-110963
- DOI
  10.1016/j.dyepig.2022.110963
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-20H05834, KAKENHI-PROJECT-19K16058
[Journal Article] 分子動力学計算によるアミロイド凝集様態の理論的解析2022
- Author(s)
  大滝大樹
- Journal Title
  
  スーパーコンピューティングニュース
  
  Volume: 24 Pages: 81-87
- Open Access
- Data Source
  KAKENHI-PROJECT-19K16058
[Journal Article] Conformation-Dependent Influences of Hydrophobic Amino Acids in Two In-Register Parallel β-Sheet Amyloids, an α-Synuclein Amyloid and a Local Structural Model of PrPSc2022
- Author(s)
  Otaki Hiroki、Taguchi Yuzuru、Nishida Noriyuki
- Journal Title
  
  ACS Omega
  
  Volume: 7 Issue: 35 Pages: 31271-31288
- DOI
  10.1021/acsomega.2c03523
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K16058, KAKENHI-PROJECT-23K21396
[Journal Article] Systemic lupus erythematosus overlapping dermatomyositis owing to a heterozygous TREX1 Asp130Asn missense mutation2021
- Author(s)
  Endo Yushiro、Koga Tomohiro、Otaki Hiroki、Furukawa Kaori、Kawakami Atsushi
- Journal Title
  
  Clinical Immunology
  
  Volume: 227 Pages: 108732-108732
- DOI
  10.1016/j.clim.2021.108732
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K16058, KAKENHI-PROJECT-19K17888
[Journal Article] Lead Optimization of Influenza Virus RNA Polymerase Inhibitors Targeting PA-PB1 Interaction2021
- Author(s)
  Mizuta Satoshi、Otaki Hiroki、Ishikawa Takeshi、Makau Juliann Nzembi、Yamaguchi Tomoko、Fujimoto Takuya、Takakura Nobuyuki、Sakauchi Nobuki、Kitamura Shuji、Nono Hikaru、Nishi Ryota、Tanaka Yoshimasa、Takeda Kohsuke、Nishida Noriyuki、Watanabe Ken
- Journal Title
  
  Journal of Medicinal Chemistry
  
  Volume: 65 Issue: 1 Pages: 369-385
- DOI
  10.1021/acs.jmedchem.1c01527
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K22600, KAKENHI-PROJECT-19K11769, KAKENHI-PROJECT-20K07032, KAKENHI-PROJECT-21K07704, KAKENHI-PROJECT-21K12129, KAKENHI-PROJECT-19K16058, KAKENHI-PROJECT-20H04285, KAKENHI-PROJECT-23K21396
[Journal Article] 分子動力学シミュレーションによる自己炎症性疾患に関わるタンパク質の研究2021
- Author(s)
  大滝大樹
- Journal Title
  
  スーパーコンピューティングニュース
  
  Volume: 23 Pages: 28-34
- Open Access
- Data Source
  KAKENHI-PROJECT-19K16058
[Journal Article] A Quinolinone Compound Inhibiting the Oligomerization of Nucleoprotein of Influenza A Virus Prevents the Selection of Escape Mutants2020
- Author(s)
  Makau Juliann Nzembi, Watanabe Ken, Otaki Hiroki, Mizuta Satoshi, Ishikawa Takeshi, Kamatari Yuji O., Nishida Noriyuki
- Journal Title
  
  Viruses
  
  Volume: 12 Issue: 3 Pages: 337-337
- DOI
  10.3390/v12030337
- NAID
  120006988247
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K11536, KAKENHI-PROJECT-19K11769, KAKENHI-PROJECT-19K16058, KAKENHI-PROJECT-16K00853
[Journal Article] Idiopathic multicentric Castleman disease with novel heterozygous Ile729Met mutation in exon 10 of familial Mediterranean fever gene2020
- Author(s)
  Endo Yushiro、Koga Tomohiro、Otaki Hiroki、Sasaki Daisuke、Sumiyoshi Remi、Furukawa Kaori、Tanaka Yoshimasa、Katsunori Yanagihara、Kawakami Atsushi
- Journal Title
  
  Rheumatology
  
  Volume: 60 Issue: 1 Pages: 445-450
- DOI
  10.1093/rheumatology/keaa269
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K16058
[Journal Article] In silico evidence of unique behaviors of methionine in an in-register parallel beta-sheet amyloid, suggestive of its possible contribution to strain diversity of amyloids2019
- Author(s)
  Otaki Hiroki、Taguchi Yuzuru、Nishida Noriyuki
- Journal Title
  
  bioRxiv
  
  Volume: 596742
- DOI
  10.1101/596742
- Open Access
- Data Source
  KAKENHI-PROJECT-19K16058
[Journal Article] Molecular dynamics simulation of local structural models of PrPSc reveals how codon 129 polymorphism affects propagation of PrPSc2019
- Author(s)
  Otaki Hiroki、Taguchi Yuzuru、Nishida Noriyuki
- Journal Title
  
  bioRxiv
  
  Volume: 2019.12.25.888289
- DOI
  10.1101/2019.12.25.888289
- Open Access
- Data Source
  KAKENHI-PROJECT-19K16058
[Journal Article] Conformation-dependent influences of hydrophobic amino acids in two in-register parallel β-sheet amyloids, an α-synuclein amyloid and a local structural model of PrPSc2019
- Author(s)
  Otaki Hiroki、Taguchi Yuzuru、Nishida Noriyuki
- Journal Title
  
  bioRxiv
  
  Volume: 758938
- DOI
  10.1101/758938
- Open Access
- Data Source
  KAKENHI-PROJECT-19K16058
[Journal Article] 分子動力学計算によるアミロイド凝集様態の理論的解析2019
- Author(s)
  大滝大樹
- Journal Title
  
  スーパーコンピューティングニュース
  
  Volume: 21 Pages: 47-53
- Open Access
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] 分子動力学シミュレーションと残基間相互作用ネットワークによるDNA分解酵素変異体の相互作用解析2023
- Author(s)
  大滝大樹
- Organizer
  日本化学会第103春季年会
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] 分子動力学計算とネットワークグラフを用いたDNA分解酵素における変異の影響の解析2022
- Author(s)
  大滝大樹
- Organizer
  第36回分子シミュレーション討論会
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] 分子動力学計算とネットワーク解析を用いたDNA分解酵素における変異の影響の解析2022
- Author(s)
  大滝大樹
- Organizer
  第128回日本物理学会九州支部例会
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] 分子動力学計算を用いたDNA分解酵素の失活メカニズムの解明2022
- Author(s)
  大滝大樹
- Organizer
  JHPCN：学際大規模情報基盤共同利用・共同研究拠点　第14回シンポジウム
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] 分子動力学計算を用いたDNA分解酵素の失活メカニズムの解明2022
- Author(s)
  大滝大樹
- Organizer
  東京大学情報基盤センター　2021年度「若手・女性利用者推薦」成果報告会
- Invited
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] Analysis of the effects of mutations on the three prime repair exonuclease 1 using molecular dynamics simulation and network analysis2022
- Author(s)
  Hiroki Otaki
- Organizer
  2022年日本バイオインフォマティクス学会年会・第11回生命医薬情報学連合大会（IIBMP2022）
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] Molecular dynamics study of the three prime repair exonuclease 1 and its mutants2022
- Author(s)
  大滝大樹
- Organizer
  第60回日本生物物理学会年会
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] 分子動力学計算を用いたDNA分解酵素における変異の影響の解析2021
- Author(s)
  大滝大樹
- Organizer
  第35回分子シミュレーション討論会
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] インフルエンザRNAポリメラーゼを阻害するキノリノン誘導体の開発研究2021
- Author(s)
  水田賢志，大滝大樹，渡邊健
- Organizer
  日本薬学会　第141年会
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] 分子動力学計算とネットワーク解析を用いたDNA分解酵素における変異の影響の解析2021
- Author(s)
  大滝大樹
- Organizer
  第127回日本物理学会九州支部例会
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] Molecular Dynamics Simulations of DNA Exonuclease2021
- Author(s)
  Hiroki Otaki
- Organizer
  CBI学会2021年大会
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] インフルエンザRNAポリメラーゼPA-PB1蛋白質間相互作用阻害剤の開発研究2020
- Author(s)
  水田賢志，大滝大樹，渡邊健
- Organizer
  日本薬学会　第140年会
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] 先回り創薬のための薬剤耐性変異予測とin vitro評価系の構築2020
- Author(s)
  鎌足雄司，小林美穂，石川岳志，大滝大樹，J. N. Makau，渡邊健，西田教行
- Organizer
  第9回岐阜構造生物学・医学・論理的創薬シンポジウム
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] 分子動力学計算によるアミロイド凝集様態の理論的解析2020
- Author(s)
  大滝大樹
- Organizer
  東京大学情報基盤センター　2019年度（後期）「若手・女性利用者推薦」成果報告会
- Invited
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] 計算化学を利用した薬剤耐性変異予測法の開発とオセルタミビル耐性インフルエンザウイルスでの検証2019
- Author(s)
  石川岳志，大滝大樹，J. N. Makau，渡邊健，水田賢志，鎌足雄司，田中義正，西田教行
- Organizer
  第72回日本細菌学会九州支部総会・第56回日本ウイルス学会九州支部総会
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] 分子動力学計算によるアミロイド凝集様態の理論的解析2019
- Author(s)
  大滝大樹
- Organizer
  JHPCN：学際大規模情報基盤共同利用・共同研究拠点　第11回シンポジウム
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] 全原子分子動力学シミュレーションによるαシヌクレインアミロイドの構造解析2019
- Author(s)
  大滝大樹，田口謙，西田教行
- Organizer
  第7回日本アミロイドーシス学会学術集会
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] Computational study of the interaction and structural properties of α-synuclein amyloids2019
- Author(s)
  Hiroki Otaki, Yuzuru Taguchi, Noriyuki Nishida
- Organizer
  Asia Pacific Prion Symposium 2019 (APPS2019)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] 分子動力学シミュレーションを用いたαシヌクレインアミロイドの構造解析2019
- Author(s)
  大滝大樹，田口謙，西田教行
- Organizer
  第57回日本生物物理学会年会
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] 分子動力学計算によるアミロイド凝集様態の理論的解析2019
- Author(s)
  大滝大樹
- Organizer
  東京大学情報基盤センター「若手・女性利用者推薦」制度　平成30年度インターン・後期採択課題　成果報告会
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] 薬剤耐性RNAウイルス出現予測法の確立と迅速制御のためのインシリコ創薬2019
- Author(s)
  西田教行，田中義正，石川岳志，水田賢志，大滝大樹，鎌足雄司，渡邊健
- Organizer
  J-PRIDE研究成果発表会，重症・難治性感染症の理解と予防・治療法の開発に向けて～若手研究者たちの挑戦～
- Data Source
  KAKENHI-PROJECT-19K16058
[Presentation] Molecular dynamics simulation for investigation of strain diversity of prions2019
- Author(s)
  Yuzuru Taguchi, Hiroki Otaki, Noriyuki Nishida
- Organizer
  Asia Pacific Prion Symposium 2019 (APPS2019)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K16058

1. SAKUDA Eri

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
2. ISHIKAWA Takeshi

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
3. 西田教行

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

OTAKI Hiroki 大滝 大樹

Research Projects

Research Products

Co-Researchers

Elucidation of factors for interspecific differences in alpha-synuclein amyloid aggregation using computational chemistryPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

[Book] Molecular Spectroscopy: A Quantum Chemistry Approach (Chapter 5)2019

Author(s)

Total Pages

Publisher

ISBN

Data Source

[Journal Article] Singlet-oxygen photosensitizers with a tetrad structure and a single BODIPY chromophore: An evidence for transition state stabilization of intersystem crossing2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] 分子動力学計算によるアミロイド凝集様態の理論的解析2022

Author(s)

Journal Title

Data Source

[Journal Article] Conformation-Dependent Influences of Hydrophobic Amino Acids in Two In-Register Parallel β-Sheet Amyloids, an α-Synuclein Amyloid and a Local Structural Model of PrPSc2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Systemic lupus erythematosus overlapping dermatomyositis owing to a heterozygous TREX1 Asp130Asn missense mutation2021

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Lead Optimization of Influenza Virus RNA Polymerase Inhibitors Targeting PA-PB1 Interaction2021

Author(s)

Journal Title

DOI

Data Source

[Journal Article] 分子動力学シミュレーションによる自己炎症性疾患に関わるタンパク質の研究2021

Author(s)

Journal Title

Data Source

[Journal Article] A Quinolinone Compound Inhibiting the Oligomerization of Nucleoprotein of Influenza A Virus Prevents the Selection of Escape Mutants2020

Author(s)

Journal Title

DOI

NAID

Data Source

[Journal Article] Idiopathic multicentric Castleman disease with novel heterozygous Ile729Met mutation in exon 10 of familial Mediterranean fever gene2020

Author(s)

Journal Title

DOI

Data Source

[Journal Article] In silico evidence of unique behaviors of methionine in an in-register parallel beta-sheet amyloid, suggestive of its possible contribution to strain diversity of amyloids2019

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Molecular dynamics simulation of local structural models of PrPSc reveals how codon 129 polymorphism affects propagation of PrPSc2019

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Conformation-dependent influences of hydrophobic amino acids in two in-register parallel β-sheet amyloids, an α-synuclein amyloid and a local structural model of PrPSc2019

Author(s)

Journal Title

DOI

Data Source

[Journal Article] 分子動力学計算によるアミロイド凝集様態の理論的解析2019

Author(s)

Journal Title

Data Source

[Presentation] 分子動力学シミュレーションと残基間相互作用ネットワークによるDNA分解酵素変異体の相互作用解析2023

Author(s)

Organizer

Data Source

[Presentation] 分子動力学計算とネットワークグラフを用いたDNA分解酵素における変異の影響の解析2022

Author(s)

OTAKI Hiroki 大滝大樹