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Harada, Ryuhei, Shigeta, Yasuteru (2017) Temperature-shuffled parallel cascade selection molecular dynamics accelerates the structural transitions of proteins. Journal of Computational Chemistry, 38 (31). 2671-2674 doi:10.1002/jcc.25060

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Reference TypeJournal (article/letter/editorial)
TitleTemperature-shuffled parallel cascade selection molecular dynamics accelerates the structural transitions of proteins
JournalJournal of Computational Chemistry
AuthorsHarada, RyuheiAuthor
Shigeta, YasuteruAuthor
Year2017 (December 5)Volume38
Issue31
PublisherWiley
DOIdoi:10.1002/jcc.25060Search in ResearchGate
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Mindat Ref. ID3152337Long-form Identifiermindat:1:5:3152337:8
GUID0
Full ReferenceHarada, Ryuhei, Shigeta, Yasuteru (2017) Temperature-shuffled parallel cascade selection molecular dynamics accelerates the structural transitions of proteins. Journal of Computational Chemistry, 38 (31). 2671-2674 doi:10.1002/jcc.25060
Plain TextHarada, Ryuhei, Shigeta, Yasuteru (2017) Temperature-shuffled parallel cascade selection molecular dynamics accelerates the structural transitions of proteins. Journal of Computational Chemistry, 38 (31). 2671-2674 doi:10.1002/jcc.25060
In(2017, December) Journal of Computational Chemistry Vol. 38 (31) Wiley

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Harada, Ryuhei, Shigeta, Yasuteru (2017) Structural dissimilarity sampling with dynamically self-guiding selection. Journal of Computational Chemistry, 38 (22). 1921-1929 doi:10.1002/jcc.24837
Aida, Hayato, Shigeta, Yasuteru, Harada, Ryuhei (2020) Regenerations of Initial Velocities in Parallel Cascade Selection Molecular Dynamics (PaCS-MD) Enhance the Conformational Transitions of Proteins. Chemistry Letters, 49 (7) 798-801 doi:10.1246/cl.200196
Morita, Rikuri, Shigeta, Yasuteru, Harada, Ryuhei (2021) Rearrangements of Water Molecules in Parallel Cascade Selection Molecular Dynamics Enhance Structural Explorations of Proteins. Bulletin of the Chemical Society of Japan, 94 (1) 97-105 doi:10.1246/bcsj.20200174
Harada, Ryuhei, Shigeta, Yasuteru (2018) How Does Friction Coefficient Affect the Conformational Sampling Efficiency of Parallel Cascade Selection Molecular Dynamics?. Chemistry Letters, 47 (9). 1119-1122 doi:10.1246/cl.180464
Harada, Ryuhei, Takano, Yu, Shigeta, Yasuteru (2017) Common folding processes of mini-proteins: Partial formations of secondary structures initiate the immediate protein folding. Journal of Computational Chemistry, 38 (11). 790-797 doi:10.1002/jcc.24748
Harada, Ryuhei, Sladek, Vladimir, Shigeta, Yasuteru (2019) Nontargeted Parallel Cascade Selection Molecular Dynamics Based on a Nonredundant Selection Rule for Initial Structures Enhances Conformational Sampling of Proteins. Journal of Chemical Information and Modeling, 59 (12) 5198-5206 doi:10.1021/acs.jcim.9b00753
Harada, Ryuhei, Shigeta, Yasuteru (2017) How Does the Number of Initial Structures Affect the Conformational Sampling Efficiency and Quality in Parallel Cascade Selection Molecular Dynamics (PaCS-MD)?. Chemistry Letters, 46 (6). 862-865 doi:10.1246/cl.170207
Harada, Ryuhei, Yoshino, Ryunosuke, Nishizawa, Hiroaki, Shigeta, Yasuteru (2019) Temperature–pressure shuffling outlier flooding method enhances the conformational sampling of proteins. Journal of Computational Chemistry, 40 (15). 1530-1537 doi:10.1002/jcc.25806
Yasuda, Takunori, Shigeta, Yasuteru, Harada, Ryuhei (2020) Efficient Conformational Sampling of Collective Motions of Proteins with Principal Component Analysis-Based Parallel Cascade Selection Molecular Dynamics. Journal of Chemical Information and Modeling, 60 (8) 4021-4029 doi:10.1021/acs.jcim.0c00580
Harada, Ryuhei, Aida, Hayato, Shigeta, Yasuteru (2018) The Formation of Hydrophobic Core Regulates the Protein Folding of Villin Elucidated with Parallel Cascade Selection Molecular Dynamics. Chemistry Letters, 47 (10). 1300-1303 doi:10.1246/cl.180596
HARADA, Ryuhei, SHIGETA, Yasuteru (2018) Analyses on Dynamical Ordering of Protein Functions by Means of Cascade Selection Molecular Dynamics. Journal of Computer Chemistry, Japan, 17 (1). 46-56 doi:10.2477/jccj.2017-0055
 
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