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Physical Chemistry Chemical Physics : PCCP
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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
Journal of Chemical Information and Modeling
|
November 8, 2017
Self-Avoiding Conformational Sampling Based on Histories of Past Conformational Searches
Ryuhei Harada, Yasuteru Shigeta
The Journal of Physical Chemistry Letters
|
March 14, 2026
Free Energy Calculation Method Based on Enhanced Sampling of Diverse Protein Conformations Predicted by Artificial Intelligence
Toma Aoki, Ryuhei Harada
The Journal of Physical Chemistry. B
|
June 9, 2011
Exploring the folding free energy landscape of a β-hairpin miniprotein, chignolin, using multiscale free energy landscape calculation method
Ryuhei Harada, Akio Kitao
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
The Journal of Chemical Physics
|
July 26, 2013
Parallel Cascade Selection Molecular Dynamics (PaCS-MD) to generate conformational transition pathway
Ryuhei Harada, Akio Kitao
Journal of Chemical Theory and Computation
|
November 18, 2015
Nontargeted Parallel Cascade Selection Molecular Dynamics for Enhancing the Conformational Sampling of Proteins
Ryuhei Harada, Akio Kitao
Page
of 10
Search research articles
Search
Showing results (1-10 of 95) with videos related to
Sort By:
Page
of 10
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
Journal of Chemical Information and Modeling
|
November 8, 2017
Self-Avoiding Conformational Sampling Based on Histories of Past Conformational Searches
Ryuhei Harada, Yasuteru Shigeta
The Journal of Physical Chemistry Letters
|
March 14, 2026
Free Energy Calculation Method Based on Enhanced Sampling of Diverse Protein Conformations Predicted by Artificial Intelligence
Toma Aoki, Ryuhei Harada
The Journal of Physical Chemistry. B
|
June 9, 2011
Exploring the folding free energy landscape of a β-hairpin miniprotein, chignolin, using multiscale free energy landscape calculation method
Ryuhei Harada, Akio Kitao
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
The Journal of Chemical Physics
|
July 26, 2013
Parallel Cascade Selection Molecular Dynamics (PaCS-MD) to generate conformational transition pathway
Ryuhei Harada, Akio Kitao
Journal of Chemical Theory and Computation
|
November 18, 2015
Nontargeted Parallel Cascade Selection Molecular Dynamics for Enhancing the Conformational Sampling of Proteins
Ryuhei Harada, Akio Kitao
Page
of 10