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The Journal of Chemical Physics
|
May 2, 2008
Distribution function in quantal cumulant dynamics
Yasuteru Shigeta
Life (Basel, Switzerland)
|
November 27, 2021
A Free-Energy Landscape Analysis of Calmodulin Obtained from an NMR Data-Utilized Multi-Scale Divide-and-Conquer Molecular Dynamics Simulation
Hiromitsu Shimoyama, Yasuteru Shigeta
Journal of Chemical Theory and Computation
|
November 24, 2018
Hybrid Cascade-Type Molecular Dynamics with a Markov State Model for Efficient Free Energy Calculations
Ryuhei Harada, Yasuteru Shigeta
Journal of Chemical Information and Modeling
|
August 20, 2019
Selection Rules for Outliers in Outlier Flooding Method Regulate Its Conformational Sampling Efficiency
Ryuhei Harada, Yasuteru Shigeta
Journal of Chemical Theory and Computation
|
February 8, 2017
Efficient Conformational Search Based on Structural Dissimilarity Sampling: Applications for Reproducing Structural Transitions of Proteins
Ryuhei Harada, Yasuteru Shigeta
Physical Chemistry Chemical Physics : PCCP
|
June 21, 2018
How low-resolution structural data predict the conformational changes of a protein: a study on data-driven molecular dynamics simulations
Ryuhei Harada, Yasuteru Shigeta
Journal of Molecular Graphics & Modelling
|
September 12, 2018
Selection rules on initial structures in parallel cascade selection molecular dynamics affect conformational sampling efficiency
Ryuhei Harada, Yasuteru Shigeta
Biochimica Et Biophysica Acta
|
May 14, 2011
First-principles molecular dynamics study on the atomistic behavior of His503 in bovine cytochrome c oxidase
Katsumasa Kamiya, Yasuteru Shigeta
Journal of Chemical Information and Modeling
|
November 8, 2017
Self-Avoiding Conformational Sampling Based on Histories of Past Conformational Searches
Ryuhei Harada, Yasuteru Shigeta
Journal of Computational Chemistry
|
September 2, 2017
Temperature-shuffled parallel cascade selection molecular dynamics accelerates the structural transitions of proteins
Ryuhei Harada, Yasuteru Shigeta
Page
of 29
Search research articles
Search
Showing results (1-10 of 282) with videos related to
Sort By:
Page
of 29
The Journal of Chemical Physics
|
May 2, 2008
Distribution function in quantal cumulant dynamics
Yasuteru Shigeta
Life (Basel, Switzerland)
|
November 27, 2021
A Free-Energy Landscape Analysis of Calmodulin Obtained from an NMR Data-Utilized Multi-Scale Divide-and-Conquer Molecular Dynamics Simulation
Hiromitsu Shimoyama, Yasuteru Shigeta
Journal of Chemical Theory and Computation
|
November 24, 2018
Hybrid Cascade-Type Molecular Dynamics with a Markov State Model for Efficient Free Energy Calculations
Ryuhei Harada, Yasuteru Shigeta
Journal of Chemical Information and Modeling
|
August 20, 2019
Selection Rules for Outliers in Outlier Flooding Method Regulate Its Conformational Sampling Efficiency
Ryuhei Harada, Yasuteru Shigeta
Journal of Chemical Theory and Computation
|
February 8, 2017
Efficient Conformational Search Based on Structural Dissimilarity Sampling: Applications for Reproducing Structural Transitions of Proteins
Ryuhei Harada, Yasuteru Shigeta
Physical Chemistry Chemical Physics : PCCP
|
June 21, 2018
How low-resolution structural data predict the conformational changes of a protein: a study on data-driven molecular dynamics simulations
Ryuhei Harada, Yasuteru Shigeta
Journal of Molecular Graphics & Modelling
|
September 12, 2018
Selection rules on initial structures in parallel cascade selection molecular dynamics affect conformational sampling efficiency
Ryuhei Harada, Yasuteru Shigeta
Biochimica Et Biophysica Acta
|
May 14, 2011
First-principles molecular dynamics study on the atomistic behavior of His503 in bovine cytochrome c oxidase
Katsumasa Kamiya, Yasuteru Shigeta
Journal of Chemical Information and Modeling
|
November 8, 2017
Self-Avoiding Conformational Sampling Based on Histories of Past Conformational Searches
Ryuhei Harada, Yasuteru Shigeta
Journal of Computational Chemistry
|
September 2, 2017
Temperature-shuffled parallel cascade selection molecular dynamics accelerates the structural transitions of proteins
Ryuhei Harada, Yasuteru Shigeta
Page
of 29