Shigeta Yasuteru

J-GLOBAL         Last updated: Oct 3, 2019 at 02:41
 
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Name
Shigeta Yasuteru
E-mail
shigetaccs.tsukuba.ac.jp
URL
http://www2.ccs.tsukuba.ac.jp/public/shigeta/shigeta_HP/Top_page.html
Affiliation
University of Tsukuba
Section
Center for Computational Sciences
Job title
Professor

Research Areas

 
 

Academic & Professional Experience

 
Apr 2019
   
 
Visiting Researcher, Takasaki Advanced Radiation Research Institute, National Institutes for Quantum and Radiological Science and Technology
 
Apr 2016
 - 
Mar 2018
Visiting professor, Institute of Molecular Sciences
 
May 2014
   
 
Visiting Professor, Graduate School of Engineering Sciences, Osaka University
 

Committee Memberships

 
Mar 2017
 - 
Mar 2017
Institute for molecular science  77th Okazaki Conference "Ultrafast dynamics in Molecular Science and Material Science" Chief Organizer
 

Awards & Honors

 
Mar 2007
Research Award, PCCP Prize for the Outstanding Achievement of Young Scientists in Physical Chemistry and Chemical Physics, Royal Chemical Society
Winner: Yasuteru Shigeta
 
Mar 2017
論文査読, Outstanding Reviewers for Physical Chemistry Chemical Physics in 2016, Royal Chemical Society
 
Oct 2017
Research Award, 22nd QSCP Promising Scientist Award of CMOA
Winner: Yasuteru Shigeta
 
Feb 2019
Best Faculty Awards 2018
 

Published Papers

 
Harada, Ryuhei; Yoshino, Ryunosuke; Nishizawa, Hiroaki; Shigeta, Yasuteru
Journal of molecular graphics & modelling   92 94-99   Jul 2019
We propose a flexible docking simulation based on parallel cascade selection molecular dynamics (PaCS-MD) as a post-processing treatment after a rigid docking simulation. PaCS-MD has been proposed as an enhanced sampling method for generating stru...
Harada, Ryuhei;Shigeta, Yasuteru
Advances in Quantum Chemistry   (78) 129-147   Feb 2019   [Refereed]
Molecular association model of PPARα and its new specific and efficient ligand, pemafibrate: Structural basis for SPPARMα
Yamamoto, Yuta;Takei, Kenta;Arulmozhiraja, Sundaram;Sladek, Vladimir;Matsuo, Naoya;Han, Song-Iee;Matsuzaka, Takashi;Sekiya, Motohiro;Tokiwa, Takaki;Shoji, Mitsuo;Shigeta, Yasuteru;Nakagawa, Yoshimi;Tokiwa, Hiroaki;Shimano, Hitoshi
Biochemical and biophysical research communications      May 2018
Harada,Ryuhei;Shigeta,Yasuteru
Meeting Abstracts of the Physical Society of Japan   73 3010-3010   2018
Hada, Masaki;Saito, Shohei;Tanaka, Sei'ichi;Sato, Ryuma;Yoshimura, Masahiko;Mouri, Kazuhiro;Matsuo, Kyohei;Yamaguchi, Shigehiro;Hara, Mitsuo;Hayashi, Yasuhiko;Röhricht, Fynn;Herges, Rainer;Shigeta, Yasuteru;Onda, Ken;Miller, R J Dwayne
Journal of the American Chemical Society   139 15792-15800   Oct 2017   [Refereed]

Books etc

 
Reference modules in Materials Science and Engineering 2016
Harada, Ryuhei;Inagaki, Yuji;Shigeta, Yasuteru (Part:Contributor, Protein Folding and Evolution)
Jun 2016   
Quantum Systems in Physics, Chemistry, and Biology: Advances in Concepts and Applications
Baba, Takeshi;Kamiya, Katsumasa;Shigeta, Yasuteru (Part:Contributor, Integrated Computational Studies on Mutational Effects of A Nylon-degrading Enzyme)
Jun 2017   
Advances in Quantum Chemistry
Shigeta,Yasuteru (Part:Contributor, Parallel Cascade Selection Molecular Dynamics Simulations for Transition Pathway Sampling of Biomolecules)
Jan 2019   
金属錯体の量子・計算化学
重田,育照;北河康隆 (Part:Contributor, 第4-1章 錯体の伝導性)
Oct 2014   
物性量子化学入門
重田,育照 (Part:Contributor, 第13、14章)
講談社   Sep 2004   

Conference Activities & Talks

 
イミダゾールを含む酸塩基複合体中の水素結合構造と分子運動性の理論的解析およびプロトン伝導機構の考察
堀, 優太;末武, 鋭也;井田, 朋智;水野, 元博;重田, 育照
第13回分子科学討論会   17 Sep 2019   
Developments of Efficient Conformational Sampling Methods for Reproducing and Predicting Biologically Relevant Rare Events of Proteins
原田, 隆平;重田, 育照
日本物理学会2018年春季大会   23 Mar 2018   
カスケード型並列分子動力学シミュレーションとマルコフ状態モデルを併用したタンパク質の自由エネルギー計算
原田, 隆平;重田育照
日本物理学会2018年秋季大会   9 Sep 2018   
データ駆動型分子動力学法による構造細密化と遷移構造探索
原田, 隆平;重田育照
第41回ケモインフォマティクス討論会   26 Oct 2018   
チロシン配位の天然の変異ヘモグロビンで観測される帰属未定の振動バンドの挙動と性質
長友重紀;寺田拓人;庄司光男;重田育照;中谷清治;廣田俊;長井雅子;北川禎三
第46回生体分子科学討論会   21 Jun 2019   

Research Grants & Projects

 
Structure-based design of middle molecules for drug discovery
The Japan Agency for Medical Research and Development (AMED): 
Project Year: Jun 2018 - Mar 2021    Investigator(s): Katsumi Maenaka

Patents

 
15/228,873 : Information Processing Apparatus and Simulation Method
重田, 育照
15/228,540 : Information Processing Apparatus and Simulation Method
重田,育照
2015-156703 : 情報処理装置、指標次元抽出方法、および指標次元抽出プログラム
重田,育照
2015-156702 : 情報処理装置、シミュレーション方法、およびシミュレーションプログ 2. ラム
重田,育照
2015-032321 : 情報処理、シミュレーションプログラムおよびシミュレーション方法
重田,育照