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Journal of Chemical Theory and Computation
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April 13, 2016
TaBoo SeArch Algorithm with a Modified Inverse Histogram for Reproducing Biologically Relevant Rare Events of Proteins
Ryuhei Harada, Yu Takano, Yasuteru Shigeta
Journal of Chemical Theory and Computation
|
August 15, 2019
Nontargeted Parallel Cascade Selection Molecular Dynamics Using Time-Localized Prediction of Conformational Transitions in Protein Dynamics
Ryuhei Harada, Vladimir Sladek, Yasuteru Shigeta
Journal of Chemical Information and Modeling
|
November 8, 2019
Nontargeted Parallel Cascade Selection Molecular Dynamics Based on a Nonredundant Selection Rule for Initial Structures Enhances Conformational Sampling of Proteins
Ryuhei Harada, Vladimir Sladek, Yasuteru Shigeta
The Journal of Physical Chemistry. B
|
November 11, 2021
Structural Variations of Metallothionein with or without Zinc Ions Elucidated by All-Atom Molecular Dynamics Simulations
Rikuri Morita, Yasuteru Shigeta, Ryuhei Harada
Materials (Basel, Switzerland)
|
February 25, 2022
Ligand Binding Path Sampling Based on Parallel Cascade Selection Molecular Dynamics: LB-PaCS-MD
Hayato Aida, Yasuteru Shigeta, Ryuhei Harada
Journal of Computational Chemistry
|
February 19, 2015
Enhanced conformational sampling method for proteins based on the TaBoo SeArch algorithm: application to the folding of a mini-protein, chignolin
Ryuhei Harada, Yu Takano, Yasuteru Shigeta
Yakugaku Zasshi : Journal of the Pharmaceutical Society of Japan
|
May 1, 2024
[Development of Membrane Permeability Coefficient by Means of Novel Molecular Dynamics Methods]
Ryuhei Harada, Yuki Mitsuta, Yasuteru Shigeta
Journal of Computational Chemistry
|
April 23, 2014
On the induced-fit mechanism of substrate-enzyme binding structures of nylon-oligomer hydrolase
Takeshi Baba, Ryuhei Harada, Masayoshi Nakano, et al.
Journal of Molecular Graphics & Modelling
|
July 26, 2019
Parallel cascade selection molecular dynamics to screen for protein complexes generated by rigid docking
Ryuhei Harada, Ryunosuke Yoshino, Hiroaki Nishizawa, et al.
Journal of Chemical Theory and Computation
|
August 19, 2021
Independent Nontargeted Parallel Cascade Selection Molecular Dynamics (Ino-PaCS-MD) to Enhance the Conformational Sampling of Proteins
Takunori Yasuda, Rikuri Morita, Yasuteru Shigeta, et al.
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of 10
Search research articles
Search
Showing results (31-40 of 95) with videos related to
Sort By:
Page
of 10
Journal of Chemical Theory and Computation
|
April 13, 2016
TaBoo SeArch Algorithm with a Modified Inverse Histogram for Reproducing Biologically Relevant Rare Events of Proteins
Ryuhei Harada, Yu Takano, Yasuteru Shigeta
Journal of Chemical Theory and Computation
|
August 15, 2019
Nontargeted Parallel Cascade Selection Molecular Dynamics Using Time-Localized Prediction of Conformational Transitions in Protein Dynamics
Ryuhei Harada, Vladimir Sladek, Yasuteru Shigeta
Journal of Chemical Information and Modeling
|
November 8, 2019
Nontargeted Parallel Cascade Selection Molecular Dynamics Based on a Nonredundant Selection Rule for Initial Structures Enhances Conformational Sampling of Proteins
Ryuhei Harada, Vladimir Sladek, Yasuteru Shigeta
The Journal of Physical Chemistry. B
|
November 11, 2021
Structural Variations of Metallothionein with or without Zinc Ions Elucidated by All-Atom Molecular Dynamics Simulations
Rikuri Morita, Yasuteru Shigeta, Ryuhei Harada
Materials (Basel, Switzerland)
|
February 25, 2022
Ligand Binding Path Sampling Based on Parallel Cascade Selection Molecular Dynamics: LB-PaCS-MD
Hayato Aida, Yasuteru Shigeta, Ryuhei Harada
Journal of Computational Chemistry
|
February 19, 2015
Enhanced conformational sampling method for proteins based on the TaBoo SeArch algorithm: application to the folding of a mini-protein, chignolin
Ryuhei Harada, Yu Takano, Yasuteru Shigeta
Yakugaku Zasshi : Journal of the Pharmaceutical Society of Japan
|
May 1, 2024
[Development of Membrane Permeability Coefficient by Means of Novel Molecular Dynamics Methods]
Ryuhei Harada, Yuki Mitsuta, Yasuteru Shigeta
Journal of Computational Chemistry
|
April 23, 2014
On the induced-fit mechanism of substrate-enzyme binding structures of nylon-oligomer hydrolase
Takeshi Baba, Ryuhei Harada, Masayoshi Nakano, et al.
Journal of Molecular Graphics & Modelling
|
July 26, 2019
Parallel cascade selection molecular dynamics to screen for protein complexes generated by rigid docking
Ryuhei Harada, Ryunosuke Yoshino, Hiroaki Nishizawa, et al.
Journal of Chemical Theory and Computation
|
August 19, 2021
Independent Nontargeted Parallel Cascade Selection Molecular Dynamics (Ino-PaCS-MD) to Enhance the Conformational Sampling of Proteins
Takunori Yasuda, Rikuri Morita, Yasuteru Shigeta, et al.
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