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Journal of Chemical Theory and Computation
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February 24, 2025
Machine Learning Model to Predict Free-Energy Landscape and Position-Dependent Diffusion Constant to Extend the Scale of Dynamic Monte Carlo Simulations
Tetsuro Nagai, Nobuaki Kikkawa, Ryosuke Jinnouchi, et al.
The Journal of Physical Chemistry. B
|
December 19, 2024
Molecular Mechanistic Analysis of Liquid-Crystalline Polymers Composed of <i>p</i>-Hydroxybenzoic Acid I: Thermal Properties
Kazushi Fujimoto, Hiroaki Ishikawa, Minoru Shimooka, et al.
Plos One
|
May 18, 2016
G-Protein/β-Arrestin-Linked Fluctuating Network of G-Protein-Coupled Receptors for Predicting Drug Efficacy and Bias Using Short-Term Molecular Dynamics Simulation
Osamu Ichikawa, Kazushi Fujimoto, Atsushi Yamada, et al.
The Journal of Physical Chemistry. B
|
September 20, 2014
Dissociation of methane hydrate in aqueous NaCl solutions
Takuma Yagasaki, Masakazu Matsumoto, Yoshimichi Andoh, et al.
The Journal of Physical Chemistry. B
|
January 30, 2014
Effect of bubble formation on the dissociation of methane hydrate in water: a molecular dynamics study
Takuma Yagasaki, Masakazu Matsumoto, Yoshimichi Andoh, et al.
The Journal of Chemical Physics
|
March 17, 2026
Local diffusion analysis using square displacement averaged in subspace
Nobuaki Kikkawa, Ryosuke Jinnouchi, Tetsuro Nagai, et al.
Journal of Computational Chemistry
|
March 29, 2021
Algorithm to minimize MPI communications in the parallelized fast multipole method combined with molecular dynamics calculations
Yoshimichi Andoh, Shin-Ichi Ichikawa, Tatsuya Sakashita, et al.
Journal of Chemical Theory and Computation
|
November 30, 2020
Position-Dependent Diffusion Constant of Molecules in Heterogeneous Systems as Evaluated by the Local Mean Squared Displacement
Tetsuro Nagai, Shuhei Tsurumaki, Ryo Urano, et al.
Nanoscale
|
March 28, 2024
Multi-stimuli-responsive polymer degradation by polyoxometalate photocatalysis and chloride ions
Chen Gu, Chifeng Li, Noriyuki Minezawa, et al.
The Journal of Chemical Physics
|
October 12, 2018
Molecular dynamics study of thermodynamic stability and dynamics of [Li(glyme)]<sup>+</sup> complex in lithium-glyme solvate ionic liquids
Wataru Shinoda, Yuta Hatanaka, Masashi Hirakawa, et al.
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of 6
Search research articles
Search
Showing results (41-50 of 56) with videos related to
Sort By:
Page
of 6
Journal of Chemical Theory and Computation
|
February 24, 2025
Machine Learning Model to Predict Free-Energy Landscape and Position-Dependent Diffusion Constant to Extend the Scale of Dynamic Monte Carlo Simulations
Tetsuro Nagai, Nobuaki Kikkawa, Ryosuke Jinnouchi, et al.
The Journal of Physical Chemistry. B
|
December 19, 2024
Molecular Mechanistic Analysis of Liquid-Crystalline Polymers Composed of <i>p</i>-Hydroxybenzoic Acid I: Thermal Properties
Kazushi Fujimoto, Hiroaki Ishikawa, Minoru Shimooka, et al.
Plos One
|
May 18, 2016
G-Protein/β-Arrestin-Linked Fluctuating Network of G-Protein-Coupled Receptors for Predicting Drug Efficacy and Bias Using Short-Term Molecular Dynamics Simulation
Osamu Ichikawa, Kazushi Fujimoto, Atsushi Yamada, et al.
The Journal of Physical Chemistry. B
|
September 20, 2014
Dissociation of methane hydrate in aqueous NaCl solutions
Takuma Yagasaki, Masakazu Matsumoto, Yoshimichi Andoh, et al.
The Journal of Physical Chemistry. B
|
January 30, 2014
Effect of bubble formation on the dissociation of methane hydrate in water: a molecular dynamics study
Takuma Yagasaki, Masakazu Matsumoto, Yoshimichi Andoh, et al.
The Journal of Chemical Physics
|
March 17, 2026
Local diffusion analysis using square displacement averaged in subspace
Nobuaki Kikkawa, Ryosuke Jinnouchi, Tetsuro Nagai, et al.
Journal of Computational Chemistry
|
March 29, 2021
Algorithm to minimize MPI communications in the parallelized fast multipole method combined with molecular dynamics calculations
Yoshimichi Andoh, Shin-Ichi Ichikawa, Tatsuya Sakashita, et al.
Journal of Chemical Theory and Computation
|
November 30, 2020
Position-Dependent Diffusion Constant of Molecules in Heterogeneous Systems as Evaluated by the Local Mean Squared Displacement
Tetsuro Nagai, Shuhei Tsurumaki, Ryo Urano, et al.
Nanoscale
|
March 28, 2024
Multi-stimuli-responsive polymer degradation by polyoxometalate photocatalysis and chloride ions
Chen Gu, Chifeng Li, Noriyuki Minezawa, et al.
The Journal of Chemical Physics
|
October 12, 2018
Molecular dynamics study of thermodynamic stability and dynamics of [Li(glyme)]<sup>+</sup> complex in lithium-glyme solvate ionic liquids
Wataru Shinoda, Yuta Hatanaka, Masashi Hirakawa, et al.
Page
of 6