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Flexibility, interactions, and function control mechanisms in multi-domain proteins

Research Project

Project/Area Number 15H04357
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Biophysics
Research InstitutionTokyo Institute of Technology (2017-2018)
The University of Tokyo (2015-2016)

Principal Investigator

Kitao Akio  東京工業大学, 生命理工学院, 教授 (30252422)

Project Period (FY) 2015-04-01 – 2019-03-31
Project Status Completed (Fiscal Year 2018)
Budget Amount *help
¥16,250,000 (Direct Cost: ¥12,500,000、Indirect Cost: ¥3,750,000)
Fiscal Year 2018: ¥3,250,000 (Direct Cost: ¥2,500,000、Indirect Cost: ¥750,000)
Fiscal Year 2017: ¥3,250,000 (Direct Cost: ¥2,500,000、Indirect Cost: ¥750,000)
Fiscal Year 2016: ¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2015: ¥5,460,000 (Direct Cost: ¥4,200,000、Indirect Cost: ¥1,260,000)
Keywordsタンパク質 / ドメイン / フレキシビリティ / 協働性 / 分子シミュレーション
Outline of Final Research Achievements

To investigate flexibility of multi-domain proteins by advance molecular simulation, we developed a method to efficiently simulate structure variations of multi-domain proteins, generate conformational transition pathways, and calculate free energy landscape. In the application of this method to FlhAc, a bacterial flagellar export apparatus protein, we found that a temperature sensitive mutant G368C does not show significant difference at 300 K but is stabilized to a closed form in which domain 2 and 4 are in contact. Since the open form of FlhAc involves with its function as the export apparatus, stabilization of the closed form in this mutant is expected to suppress its function.

Academic Significance and Societal Importance of the Research Achievements

本研究ではマルチドメインタンパク質の構造フレキシビリティ、ドメイン間の相互作用と機能の協働性を解明するための計算法を開発した。この計算法はマルチドメインタンパク質の機能を解明するのに活用できることはもちろんのこと、創薬研究などにも活用できることから、高い学術的意義・社会的意義がある。またこの計算法を実際にタンパク質FlhAcの研究などに活用し、研究成果を得ることができた。更にこのタンパク質に関しては、多量体を形成したときに、単量体と異なり全般的にタンパク質の運動はサブユニット間相互作用によって制限されること、サブユニット間の相互作用により温度の効果が弱くなるという新しい知見も得ることができた。

Report

(5 results)
  • 2018 Annual Research Report   Final Research Report ( PDF )
  • 2017 Annual Research Report
  • 2016 Annual Research Report
  • 2015 Annual Research Report
  • Research Products

    (64 results)

All 2019 2018 2017 2016 2015 Other

All Int'l Joint Research (5 results) Journal Article (24 results) (of which Int'l Joint Research: 9 results,  Peer Reviewed: 24 results,  Open Access: 11 results,  Acknowledgement Compliant: 8 results) Presentation (31 results) (of which Int'l Joint Research: 11 results,  Invited: 18 results) Book (1 results) Remarks (3 results)

  • [Int'l Joint Research] University of East Anglia(英国)

    • Related Report
      2018 Annual Research Report
  • [Int'l Joint Research] 国立精華大学(その他の国・地域 台湾)

    • Related Report
      2018 Annual Research Report
  • [Int'l Joint Research] University of East Anglia(英国)

    • Related Report
      2017 Annual Research Report
  • [Int'l Joint Research] 国立精華大学(その他の国・地域 台湾)

    • Related Report
      2017 Annual Research Report
  • [Int'l Joint Research] University of East Anglia(英国)

    • Related Report
      2015 Annual Research Report
  • [Journal Article] Structural insights into the substrate specificity switch mechanism of the type III protein export apparatus2019

    • Author(s)
      Y., Y. Ogawa, M. Kinoshita, N. Terahara, M. Shimada, N. Kodera, T. Ando, K. Namba, A. Kitao, K. Imada, T. Minamino
    • Journal Title

      Structure

      Volume: 印刷中 Issue: 6 Pages: 965-976

    • DOI

      10.1016/j.str.2019.03.017

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Haptic-Assisted Interactive Molecular Docking Incorporating Receptor Flexibility2019

    • Author(s)
      Matthews Nick、Kitao Akio、Laycock Stephen、Hayward Steven
    • Journal Title

      Journal of Chemical Information and Modeling

      Volume: 印刷中 Issue: 6 Pages: 2900-2912

    • DOI

      10.1021/acs.jcim.9b00112

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Dissociation Process of a MDM2/p53 Complex Investigated by Parallel Cascade Selection Molecular Dynamics and the Markov State Model2019

    • Author(s)
      Tran Duy Phuoc、Kitao Akio
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 123 Issue: 11 Pages: 2469-2478

    • DOI

      10.1021/acs.jpcb.8b10309

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Multi-strand β-sheet of Alzheimer Aβ(1-40) folds to β-strip helix: implication for protofilament formation2018

    • Author(s)
      Hayward Steven、Kitao Akio
    • Journal Title

      Journal of Biomolecular Structure and Dynamics

      Volume: 37 Issue: 8 Pages: 2143-2153

    • DOI

      10.1080/07391102.2018.1477626

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Refining evERdock: Improved selection of good protein-protein complex models achieved by MD optimization and use of multiple conformations2018

    • Author(s)
      Shinobu Ai、Takemura Kazuhiro、Matubayasi Nobuyuki、Kitao Akio
    • Journal Title

      The Journal of Chemical Physics

      Volume: 149 Issue: 19 Pages: 195101-195101

    • DOI

      10.1063/1.5055799

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Similarities and Differences between Thymine(6?4)Thymine/Cytosine DNA Lesion Repairs by Photolyases2018

    • Author(s)
      Dokainish Hisham M.、Kitao Akio
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 122 Issue: 36 Pages: 8537-8547

    • DOI

      10.1021/acs.jpcb.8b07048

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] ColDock: Concentrated Ligand Docking with All-Atom Molecular Dynamics Simulation2018

    • Author(s)
      Takemura Kazuhiro、Sato Chika、Kitao Akio
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 122 Issue: 29 Pages: 7191-7200

    • DOI

      10.1021/acs.jpcb.8b02756

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Vibrational Energy Transfer from Heme through Atomic Contacts in Proteins2018

    • Author(s)
      Yamashita Satoshi、Mizuno Misao、Tran Duy Phuoc、Dokainish Hisham、Kitao Akio、Mizutani Yasuhisa
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 122 Issue: 22 Pages: 5877-5884

    • DOI

      10.1021/acs.jpcb.8b03518

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Binding free energy analysis of protein-protein docking model structures by evERdock2018

    • Author(s)
      Takemura Kazuhiro、Matubayasi Nobuyuki、Kitao Akio
    • Journal Title

      J. Chem. Phys.

      Volume: 148 Issue: 10 Pages: 105101-105101

    • DOI

      10.1063/1.5019864

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Origins of biological function in DNA and RNA hairpin loop motifs from replica exchange molecular dynamics simulation2018

    • Author(s)
      Jacob B. Swadling, Kunihiko Ishii, Tahei Tahara and Akio Kitao
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 20 Issue: 5 Pages: 2990-3001

    • DOI

      10.1039/c7cp06355e

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Protein-Ligand Dissociation Simulated by Parallel Cascade Selection Molecular Dynamics2017

    • Author(s)
      Tran Duy Phuoc、Takemura Kazuhiro、Kuwata Kazuo、Kitao Akio
    • Journal Title

      Journal of Chemical Theory and Computation

      Volume: 14 Issue: 1 Pages: 404-417

    • DOI

      10.1021/acs.jctc.7b00504

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Salt Bridge Formation between the I-BAR Domain and Lipids Increases Lipid Density and Membrane Curvature.2017

    • Author(s)
      Takemura K, Hanawa-Suetsugu K, Suetsugu S, Kitao A.
    • Journal Title

      Sci Rep.

      Volume: 28 Issue: 1 Pages: 1-10

    • DOI

      10.1038/s41598-017-06334-5

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Electron Fate and Mutational Robustness in the Mechanism of (6-4)Photolyase-Mediated DNA Repair2017

    • Author(s)
      Dokainish Hisham M.、Yamada Daichi、Iwata Tatsuya、Kandori Hideki、Kitao Akio
    • Journal Title

      ACS Catalysis

      Volume: 7 Issue: 7 Pages: 4835-4845

    • DOI

      10.1021/acscatal.7b00751

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] High quality rendering of protein dynamics in space filling mode2017

    • Author(s)
      Matthews Nick、Easdon Robert、Kitao Akio、Hayward Steven、Laycock Stephen
    • Journal Title

      Journal of Molecular Graphics & Modellin

      Volume: 78 Pages: 158-167

    • DOI

      10.1016/j.jmgm.2017.09.017

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Structure of the MotA/B Proton Channel2017

    • Author(s)
      Kitao Akio、Nishihara Yasutaka
    • Journal Title

      Methods in molecular biology

      Volume: 1593 Pages: 133-145

    • DOI

      10.1007/978-1-4939-6927-2_10

    • ISBN
      9781493969265, 9781493969272
    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Functional Conversion of CPD and (6-4) Photolyases by Mutation2016

    • Author(s)
      Daichi Yamada, Hisham M. Dokainish, Tatsuya Iwata, Junpei Yamamoto, Tomoko Ishikawa, Takeshi Todo, Shigenori Iwai, Elizabeth D. Getzoff, Akio Kitao, and Hideki Kandori
    • Journal Title

      Biochemistry

      Volume: 55 Issue: 30 Pages: 4173-4183

    • DOI

      10.1021/acs.biochem.6b00361

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Computational Assignment of the Histidine Protonation State in (6-4) Photolyase Enzyme and Its Effect on the Protonation Step2016

    • Author(s)
      Hisham MM Dokainish and Akio Kitao
    • Journal Title

      ACS Catalysis

      Volume: 6 Issue: 8 Pages: 5500-5507

    • DOI

      10.1021/acscatal.6b01094

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Parallel Cascade Selection Molecular Dynamics for Efficient Conformational Sampling and Free Energy Calculation of Proteins2016

    • Author(s)
      Akio Kitao, Tyuhei Harada, Yasutaka Nishihara and Duy Phuoc Tran
    • Journal Title

      AIP Conference Proceedings

      Volume: 1790 Pages: 020013-020013

    • DOI

      10.1063/1.4968639

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] High anisotropy and frustration: the keys to regulating protein function efficiently in crowded environments2016

    • Author(s)
      Akio Kitao and Kazuhiro Takemura
    • Journal Title

      Curr Opin Struct Biol

      Volume: 42 Pages: 50-58

    • DOI

      10.1016/j.sbi.2016.10.014

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Eritoran inhibits S100A8-mediated TLR4/MD-2 activation and tumor growth by changing the immune microenvironment.2016

    • Author(s)
      Deguchi A, Tomita T, Ohto U, Takemura K, Kitao A, Akashi-Takamura, S, Miyake K, and Maru Y.
    • Journal Title

      Oncogene

      Volume: 35 Issue: 11 Pages: 1445-1456

    • DOI

      10.1038/onc.2015.211

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Gate-controlled proton diffusion and protonation-induced ratchet motion in the stator of the bacterial flagellar motor2015

    • Author(s)
      Yasutaka Nishihara and Akio Kitao
    • Journal Title

      Proc. Natl. Acad. Sci. U.S.A.

      Volume: 112 Issue: 25 Pages: 7737-7742

    • DOI

      10.1073/pnas.1502991112

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Drug Targeting Based on a New Concept-Targeting Against TLR4 as an Example2015

    • Author(s)
      Yoshiro Maru, Takeshi Tomita, Atsuko Deguchi, Katsuaki Ieguchi, Morichuka Takita, Fujiko Tsukahara, Kazuhiro Takemura, Akio Kitao, and Fabian Gusovsky
    • Journal Title

      Endocrine Metabolic & Immune Disorders-Drug Targets

      Volume: 15 Issue: 2 Pages: 83-87

    • DOI

      10.2174/187153031502150522123746

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Monte Carlo Sampling with Linear Inverse Kinematics for Simulation of Proteins Flexible Regions2015

    • Author(s)
      Steven Hayward and Akio Kitao
    • Journal Title

      J. Chem. Theor. Comput.

      Volume: 11 Issue: 8 Pages: 3895-3905

    • DOI

      10.1021/acs.jctc.5b00215

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Non-targeted parallel cascade selection molecular dynamics (nt-PaCS-MD) for enhancement of the conformational sampling of proteins2015

    • Author(s)
      Ryuhei Harada and Akio Kitao
    • Journal Title

      J. Chem. Theor. Comput.

      Volume: 11 Issue: 11 Pages: 5493-5502

    • DOI

      10.1021/acs.jctc.5b00723

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Presentation] Simulating dissociation and association processes of protein complexes2019

    • Author(s)
      北尾彰朗
    • Organizer
      TSRC workshop on ‘The Role of Fluctuations and Dynamics in Biomolecular Function’
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Investigating dissociation and association mechanisms of protein complexes2018

    • Author(s)
      北尾彰朗
    • Organizer
      The 2nd workshop on ‘Advances in Theory and Computation of Complex Systems --- Biological Systems
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Investigate protein complex formation and dissociation in silico2018

    • Author(s)
      北尾彰朗
    • Organizer
      WRHI International Workshop on Advanced Laser Spectroscopy for Soft Molecular Systems
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Computational approach to investigate protein complex formation and dissociation2018

    • Author(s)
      北尾彰朗
    • Organizer
      14th Rencontres du Vietnam Computational Biophysics at the Molecular and Mesoscales
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] PaCS-MDによるタンパク質のダイナミクスと離合集散2018

    • Author(s)
      北尾彰朗
    • Organizer
      物性研究所スパコン共同利用・CCMS合同研究会「計算物質科学の今と未来」
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] Differences and similarities in (6-4) Photolyase DNA repair pathways2018

    • Author(s)
      Dokainish Hisham, Yamada Daichi, Kandori Hideki, Kitao Akio
    • Organizer
      第56回日本生物物理学会年会
    • Related Report
      2018 Annual Research Report
  • [Presentation] Na+駆動型べん毛モーターPomA/PomBのThr残基のイオン透過における役割:MDシミュレーション結果2018

    • Author(s)
      尾上靖宏、岩城雅代、信夫愛、西原泰孝、岩月哲人、寺島浩行、北尾彰朗、神取秀樹、本間道夫
    • Organizer
      第56回日本生物物理学会年会
    • Related Report
      2018 Annual Research Report
  • [Presentation] ColDock: Concentrated ligand Docking method for an efficient protein-ligand complex structure prediction using all-atom MD2018

    • Author(s)
      竹村和浩、北尾彰朗
    • Organizer
      第56回日本生物物理学会年会
    • Related Report
      2018 Annual Research Report
  • [Presentation] Refining binding free energies of docked protein-protein complexes by sampling conformations during molecular dynamics simulations2018

    • Author(s)
      信夫愛、竹村和浩、北尾彰朗
    • Organizer
      第18回日本蛋白質科学会年会
    • Related Report
      2018 Annual Research Report
  • [Presentation] カスケード型超並列シミュレーションで見るタンパク質間結合の圧力依存性2018

    • Author(s)
      畑宏明、西原泰孝、西山雅祥、川岸郁朗、北尾彰朗
    • Organizer
      第18回日本蛋白質科学会年会
    • Related Report
      2018 Annual Research Report
  • [Presentation] ColDock : 高濃度リガンド条件での全原子 MD シミュレーョンを用いた蛋白質-リガンド複合体構造の効率的な探索手法2018

    • Author(s)
      竹村和浩、北尾彰朗
    • Organizer
      第18回日本蛋白質科学会年会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 分子シミュレーションによる細菌べん毛モーターの分子機構2017

    • Author(s)
      北尾彰朗
    • Organizer
      日本物理学会第72回年次大会
    • Place of Presentation
      大阪大学豊中キャンパス(大阪市豊中市)
    • Year and Date
      2017-03-17
    • Related Report
      2016 Annual Research Report
    • Invited
  • [Presentation] 実験と計算によるp53 の標的DNA 配列探索機能(1)2017

    • Author(s)
      北尾彰朗
    • Organizer
      日本化学会第97春季年会
    • Place of Presentation
      慶應義塾大学日吉キャンパス(神奈川県横浜市)
    • Year and Date
      2017-03-16
    • Related Report
      2016 Annual Research Report
    • Invited
  • [Presentation] Dynamic structure of bacterial flagellar proteins observed in silico2017

    • Author(s)
      Akio Kitao
    • Organizer
      Bacterial Flagella, Injectisome and Type III Secretion Systems
    • Place of Presentation
      沖縄科学技術大学院大学(沖縄県恩納村)
    • Year and Date
      2017-03-01
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] PaCS-MDでみる蛋白質の柔らかさ・離合集散と機能2017

    • Author(s)
      北尾彰朗
    • Organizer
      第17回日本蛋白質科学会年会
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] Electron fate and mutational robustness in the mechanism of (6-4) photolyase-mediated DNA repair2017

    • Author(s)
      Hisham M. Dokainish, Daichi Yamada, Tatsuya Iwata, Hideki Kandori and Akio Kitao
    • Organizer
      5th AWEST 2017 the 5th Awaji International Workshop on “Electron Spin Science & Technology: Biological and Materials Science Oriented Applications”
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Protein-protein complex structure prediction using the solution theory in the energy representation2017

    • Author(s)
      竹村和浩, 松林伸幸, 北尾彰朗
    • Organizer
      第55回日本生物物理学会
    • Related Report
      2017 Annual Research Report
  • [Presentation] MD シミュレーションを用いた構造サンプリングによるドッキングタンパク質ータンパク質複合体結合自由エネルギー評価の精密化2017

    • Author(s)
      信夫愛, 竹村和浩, 北尾彰朗
    • Organizer
      第55回日本生物物理学会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Improvement of PaCS-MD based Flexible Docking Methods2017

    • Author(s)
      Phuoc Duy Tran and Akio Kitao
    • Organizer
      第55回日本生物物理学会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 生体高分子の離合集散ダイナミクス2017

    • Author(s)
      北尾彰朗
    • Organizer
      第66回高分子討論会
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] Protein-peptide dissociation at high pressure studied by parallel cascade selection molecular dynamics simulations2017

    • Author(s)
      畑宏明, 西原泰孝, 西山雅祥, 川 郁朗, 北尾彰朗
    • Organizer
      第55回日本生物物理学会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Dissociation and Association Dynamics of Proteins2017

    • Author(s)
      Akio Kitao
    • Organizer
      TSRC Workshop on Protein Dynamics
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Simulating biomolecular interactions and functions2016

    • Author(s)
      Akio Kitao
    • Organizer
      1st International Symposium on Research and Education of Computational Science (RECS)
    • Place of Presentation
      東京大学小柴ホール(東京都文京区)
    • Year and Date
      2016-11-29
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] DNA光回復酵素の機能発現メカニズム2016

    • Author(s)
      北尾彰朗、神取秀樹
    • Organizer
      「柔らかな分子系」第4回公開シンポジウム
    • Place of Presentation
      名古屋工業大学(愛知県名古屋市)
    • Year and Date
      2016-10-27
    • Related Report
      2016 Annual Research Report
  • [Presentation] Parallel cascade selection molecular dynamics for efficient conformational sampling of biomolecular systems2016

    • Author(s)
      Akio Kitao
    • Organizer
      International Conference on Molecular Simulation 2016
    • Place of Presentation
      上海交通大学(中国上海市)
    • Year and Date
      2016-10-23
    • Related Report
      2016 Annual Research Report
    • Invited
  • [Presentation] タンパク質との相互作用による脂質膜の構造変化ダイナミクス2016

    • Author(s)
      北尾彰朗
    • Organizer
      第89回日本生化学会大会
    • Place of Presentation
      仙台国際センター(宮城県仙台市)
    • Year and Date
      2016-09-25
    • Related Report
      2016 Annual Research Report
    • Invited
  • [Presentation] Structure, dynamics, and function of bacterial flagella investigated by molecular dynamics simulation2015

    • Author(s)
      Akio Kitao
    • Organizer
      The International Chemical Congress of Pacific Basin Societies 2015
    • Place of Presentation
      Honolulu, HI, USA
    • Year and Date
      2015-12-15
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Solvation effects on protein interaction with other molecules2015

    • Author(s)
      Akio Kitao
    • Organizer
      Symposium of 53rd Annual Meeting of the Biophysical Society of Japan
    • Place of Presentation
      金沢大学角間キャンパス(石川県・金沢市)
    • Year and Date
      2015-09-13
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Presentation] Parallel Cascade Selection Molecular Dynamics (PaCS-MD) to explore conformational spaces of proteins efficiently2015

    • Author(s)
      Akio Kitao
    • Organizer
      Workshop on Kinetics of Enzymes and Molecular Machines
    • Place of Presentation
      Beijing, China
    • Year and Date
      2015-08-18
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Proton permeation mechanisms in the stator of bacterial flagellar motor2015

    • Author(s)
      Akio Kitao
    • Organizer
      Telluride Research Center Workshop on Protein Dynamics
    • Place of Presentation
      Telluride, CO, USA
    • Year and Date
      2015-08-03
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Dynamics and Function of Bacterial Flagella Investigated by Molecular Simulation2015

    • Author(s)
      Akio Kitao
    • Organizer
      The 20th Biophysics Conference
    • Place of Presentation
      Academia Sinica, 台北、台湾
    • Year and Date
      2015-05-12
    • Related Report
      2015 Annual Research Report
    • Invited
  • [Book] In Silico創薬におけるスクリーニングの高速化、高精度化技術2018

    • Author(s)
      北尾彰朗、畑宏明(第2章第2節著)
    • Total Pages
      540
    • Publisher
      技術情報協会
    • Related Report
      2017 Annual Research Report
  • [Remarks] 北尾研究室

    • URL

      http://www.kitao.bio.titech.ac.jp/

    • Related Report
      2018 Annual Research Report 2017 Annual Research Report
  • [Remarks] 北尾研究室 Web Service and Software Download

    • URL

      http://kitao02.bio.titech.ac.jp/

    • Related Report
      2018 Annual Research Report 2017 Annual Research Report
  • [Remarks] Laboratory of Computational Protein Science

    • URL

      http://www.iam.u-tokyo.ac.jp/MolDes/

    • Related Report
      2015 Annual Research Report

URL: 

Published: 2015-04-16   Modified: 2022-08-25  

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