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Shigeta Yasuteru

Researcher's full information

Conference, etc.
  • Refractive indices of organo-metallic and -metalloid compounds: A long-range corrected DFT study
    Shigeta Yasuteru
    9th Asian Photochemistry Conference/2016-12-04--2016-12-08
  • Cumulant Mechanics for Quantum and Statistical Physics
    Shigeta Yasuteru
    The 4th International Conference on Molecular Simulation (ICMS)/2016-10-23--2016-10-26
  • Integrated approach toward rational design of enzyme
    Shigeta Yasuteru
    Japan-Thai workshop on theoretical and computational chemistry/2016-09-21--2016-09-22
  • Simple conformational search methods for understanding biological functions
    Shigeta Yasuteru
    Shanghai Workshop on Frontiers in Molecular Biophysics/2016-07-23--2016-07-26
  • Efficient Conformational Search Methods for Protein Folding Problems
    Shigeta Yasuteru
    The nineth Congress of the International Society for Theoretical Chemical Physics (ISTCP 2016)/2016-07-17--2016-07-22
  • A consistent scheme for accurately estimating acid dissociation constant (pKa) and redox potential
    Shigeta Yasuteru
    4th Changsha Workshop on Theoretical and Computational Chemistry 2016/2016-06-10--2016-06-12
  • Molecular dynamics study on the reaction control mechanism of threonine synthase: evaluating the free energies of the intermediate states
    Ujiie Yuzuru; Tanaka Wataru; Shoji Mitsuo; Kayanuma Megum...
    The 52nd Annual Meeting of the Biophysical Society of Japan (BSJ2014)/2014-09-25--2014-09-27
  • A theoretical study on the substrate bindings in uridine-cytidine kinase
    Tanaka Wataru; Ujiie Yuzuru; Tomoike Fumiaki; Shoji Mitsu...
    The 52nd Annual Meeting of the Biophysical Society of Japan (BSJ2014)/2014-09-25--2014-09-27
  • A QM/MM study of amide formation reaction of Nitrile Hydratase
    Kayanuma Megumi; Shoji Mitsuo; Shigeta Yasuteru
    The 52nd Annual Meeting of the Biophysical Society of Japan(BSJ2014)/2014-09-25--2014-09-27
  • Possible Mechanisms of Water Splitting Reaction Based on Proton and Electron Release Pathways Revealed for CaMn4O5 Cluster of PSII Refined to 1.9 angstrom X-Ray Resolution
    Saito T.; Yamanaka S.; Kanda K.; Isobe H.; Takano Y.; Shi...
    51st International Symposium on Theory and Computations in Molecular and Materials Sciences, Biology and Pharmacology/2011-02-25--2011-03-01
  • Quantal cumulant dynamics for dissipative systems
    Shigeta Yasuteru
    International Conference on Computational Methods in Science and Engineering/2007-09-25--2007-09-30
  • ナノバイオ系のシミュレーションとダイナミクス:その後の展開
    重田 育照
    量子化学の最近の進展– 大規模・複雑系の量子化学シミュレーション –/2016-03-23--2016-03-23
  • 分子動力学法と情報科学の融合よるタンパク質の構造探索
    重田 育照
    「分子技術と理論計算・データ科学」大阪大学未来研究分子技術イニシアティブセミナー、/2016-03-14--2016-03-15
  • 第一原理計算に基づく物質の起源と生命痕跡の探求
    重田 育照
    シンポジウム「宇宙惑星居住の実現に向けて − 生命維持,食糧生産,エネルギー・資源開発 等 −」、化学工学会第81年会/2016-03-13--2016-03-15
  • 化学における動力学と統計について
    重田 育照
    研究交流会「理論分子科学・分子非線形科学のこれまでとこれから」、東/2016-03-05--2016-03-06
  • レアイベントとしてのタンパク質の構造変化と機能
    重田 育照
    タンパク研セミナー「構造を基盤とする蛋白質科学における未解決問題」/2016-03-01--2016-03-02
  • 理論計算に基づくタンパク質の反応性と物性の解析
    重田 育照
    2015年度第1回水和ナノ構造研究会/2015-09-01--2015-09-02
  • 第一原理計算に基づく酵素機能解析:チトクロムc酸化酵素のプロトンポンプを例として
    重田 育照
    東京大学物性研究所 「機能物性融合科学シリーズ(3)「反応と輸送」」/2015-06-24--2015-06-26
  • チトクロム c 酸化酵素におけるプロトン輸送の構造的仕掛け
    重田 育照
    分子研研究会「膜タンパク質内部のプロトン透過を考える」/2015-04-20--2015-04-21
  • Theoretical design of photochemical properties of diarylethenes
    Shigeta Yasuteru
    International Mini-Symposium on Fundamentals and Applications of Photosynergetic Excitations/2016-03-15--2016-03-15
  • Inverse Histogram-based Sampling Algorithm for Protein-folding Problems
    Shigeta Yasuteru
    The Seventh Asia-Pacific Conference of Theoretical and Computational Chemistry (APCTCC 7)/2016-01-25--2016-01-28
  • Theoretical studies on triplet-triplet annihilation processes of diphenylanthracene derivatives in solution
    Shigeta Yasuteru
    Symposium #44 ‘Modeling and Analyzing Exciton and Charge Dynamics in Molecules and Clusters' Pacifichem 2015/2015-12-15--2015-12-20
  • Molecular Design for Optical Properties of Diarylethenes
    重田 育照
    Energy, Materials, Nanotechnology (EMN) Bangkok meeting/2015-11-10--2015-11-13
  • Simple Conformational Search Algorithms For Protein Folding
    Shigeta Yasuteru
    6th Czech-Slovakia-Japan Theoretical Chemistry meeting/2015-10-11--2015-10-14
  • Theoretical elucidation on the circular dichroism of heme proteins
    庄司光男; 栢沼 愛; 重田 育照; 長友 重紀; 長井 雅子
    The 15th Annual Meeting of the Protein Science Society of Japan/2015-06-24--2015-06-26