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Journal of Chemical Information and Modeling
|
October 29, 2025
Xenon Explores Apparent and Cryptic Binding Sites
Shinji Iida
Journal of Chemical Information and Modeling
|
May 15, 2023
Dissociation Rate Calculation via Constant-Force Steered Molecular Dynamics Simulation
Shinji Iida, Tomoshi Kameda
Biophysical Reviews
|
January 20, 2023
Free energy and kinetic rate calculation via non-equilibrium molecular simulation: application to biomolecules
Shinji Iida, Kameda Tomoshi
BBA Advances
|
July 8, 2021
Asymmetric dynamics of dimeric SARS-CoV-2 and SARS-CoV main proteases in an apo form: Molecular dynamics study on fluctuations of active site, catalytic dyad, and hydration water
Shinji Iida, Yoshifumi Fukunishi
The Biochemical Journal
|
June 12, 2016
Enhanced conformational sampling to visualize a free-energy landscape of protein complex formation
Shinji Iida, Haruki Nakamura, Junichi Higo
The Journal of Physical Chemistry. B
|
November 3, 2020
Structural Fluctuations of Aromatic Residues in an Apo-Form Reveal Cryptic Binding Sites: Implications for Fragment-Based Drug Design
Shinji Iida, Hironori K Nakamura, Tadaaki Mashimo, et al.
Journal of Chemical Theory and Computation
|
March 12, 2019
Multimodal Structural Distribution of the p53 C-Terminal Domain upon Binding to S100B via a Generalized Ensemble Method: From Disorder to Extradisorder
Shinji Iida, Takeshi Kawabata, Kota Kasahara, et al.
Briefings in Bioinformatics
|
October 10, 2025
Data-efficient protein mutational effect prediction with weak supervision by molecular simulation and protein language models
Teppei Deguchi, Nur Syatila Ab Ghani, Yoichi Kurumida, et al.
Journal of Computational Chemistry
|
October 14, 2016
Variation of free-energy landscape of the p53 C-terminal domain induced by acetylation: Enhanced conformational sampling
Shinji Iida, Tadaaki Mashimo, Takashi Kurosawa, et al.
Methods (San Diego, Calif.)
|
February 3, 2020
Continuum mechanical parameterisation of cytoplasmic dynein from atomistic simulation
Benjamin S Hanson, Shinji Iida, Daniel J Read, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
Journal of Chemical Information and Modeling
|
October 29, 2025
Xenon Explores Apparent and Cryptic Binding Sites
Shinji Iida
Journal of Chemical Information and Modeling
|
May 15, 2023
Dissociation Rate Calculation via Constant-Force Steered Molecular Dynamics Simulation
Shinji Iida, Tomoshi Kameda
Biophysical Reviews
|
January 20, 2023
Free energy and kinetic rate calculation via non-equilibrium molecular simulation: application to biomolecules
Shinji Iida, Kameda Tomoshi
BBA Advances
|
July 8, 2021
Asymmetric dynamics of dimeric SARS-CoV-2 and SARS-CoV main proteases in an apo form: Molecular dynamics study on fluctuations of active site, catalytic dyad, and hydration water
Shinji Iida, Yoshifumi Fukunishi
The Biochemical Journal
|
June 12, 2016
Enhanced conformational sampling to visualize a free-energy landscape of protein complex formation
Shinji Iida, Haruki Nakamura, Junichi Higo
The Journal of Physical Chemistry. B
|
November 3, 2020
Structural Fluctuations of Aromatic Residues in an Apo-Form Reveal Cryptic Binding Sites: Implications for Fragment-Based Drug Design
Shinji Iida, Hironori K Nakamura, Tadaaki Mashimo, et al.
Journal of Chemical Theory and Computation
|
March 12, 2019
Multimodal Structural Distribution of the p53 C-Terminal Domain upon Binding to S100B via a Generalized Ensemble Method: From Disorder to Extradisorder
Shinji Iida, Takeshi Kawabata, Kota Kasahara, et al.
Briefings in Bioinformatics
|
October 10, 2025
Data-efficient protein mutational effect prediction with weak supervision by molecular simulation and protein language models
Teppei Deguchi, Nur Syatila Ab Ghani, Yoichi Kurumida, et al.
Journal of Computational Chemistry
|
October 14, 2016
Variation of free-energy landscape of the p53 C-terminal domain induced by acetylation: Enhanced conformational sampling
Shinji Iida, Tadaaki Mashimo, Takashi Kurosawa, et al.
Methods (San Diego, Calif.)
|
February 3, 2020
Continuum mechanical parameterisation of cytoplasmic dynein from atomistic simulation
Benjamin S Hanson, Shinji Iida, Daniel J Read, et al.
Page
of 2