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Makoto Taiji

Showing results (1-10 of 44) with videos related to

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The Journal of Chemical Physics|July 5, 2013
Enhanced exchange algorithm without detailed balance condition for replica exchange methodHiroko X Kondo, Makoto Taiji
Physical Review Letters|November 5, 2004
Inaccessibility in online learning of recurrent neural networksAsaki Saito, Makoto Taiji, Takashi Ikegami
Journal of Computational Chemistry|September 25, 2015
Assessment and acceleration of binding energy calculations for protein-ligand complexes by the fragment molecular orbital methodTakao Otsuka, Noriaki Okimoto, Makoto Taiji
Journal of Biomolecular Structure & Dynamics|November 8, 2016
Evaluation of protein-ligand affinity prediction using steered molecular dynamics simulationsNoriaki Okimoto, Atsushi Suenaga, Makoto Taiji
The Journal of Physical Chemistry Letters|August 21, 2015
Ligand Diffusion on Protein Surface Observed in Molecular Dynamics SimulationDmitry Nerukh, Noriaki Okimoto, Atsushi Suenaga, et al.
ACS Omega|August 29, 2019
Use of the Multilayer Fragment Molecular Orbital Method to Predict the Rank Order of Protein-Ligand Binding Affinities: A Case Study Using Tankyrase 2 InhibitorsNoriaki Okimoto, Takao Otsuka, Yoshinori Hirano, et al.
Biophysical Chemistry|March 26, 2011
Structural characteristics of hydration sites in lysozymeKunitsugu Soda, Yudai Shimbo, Yasutaka Seki, et al.
Journal of Computational Chemistry|April 8, 2009
Current performance gains from utilizing the GPU or the ASIC MDGRAPE-3 within an enhanced Poisson Boltzmann approachTetsu Narumi, Kenji Yasuoka, Makoto Taiji, et al.
ACS Omega|July 19, 2021
Molecular Dynamics Study of Conformational Changes of Tankyrase 2 Binding Subsites upon Ligand BindingYoshinori Hirano, Noriaki Okimoto, Shigeo Fujita, et al.
Journal of Computational Chemistry|September 16, 2014
A new set of atomic radii for accurate estimation of solvation free energy by Poisson-Boltzmann solvent modelJunya Yamagishi, Noriaki Okimoto, Gentaro Morimoto, et al.
Pageof 5

Showing results (1-10 of 44) with videos related to

Sort By:
Pageof 5
The Journal of Chemical Physics|July 5, 2013
Enhanced exchange algorithm without detailed balance condition for replica exchange methodHiroko X Kondo, Makoto Taiji
Physical Review Letters|November 5, 2004
Inaccessibility in online learning of recurrent neural networksAsaki Saito, Makoto Taiji, Takashi Ikegami
Journal of Computational Chemistry|September 25, 2015
Assessment and acceleration of binding energy calculations for protein-ligand complexes by the fragment molecular orbital methodTakao Otsuka, Noriaki Okimoto, Makoto Taiji
Journal of Biomolecular Structure & Dynamics|November 8, 2016
Evaluation of protein-ligand affinity prediction using steered molecular dynamics simulationsNoriaki Okimoto, Atsushi Suenaga, Makoto Taiji
The Journal of Physical Chemistry Letters|August 21, 2015
Ligand Diffusion on Protein Surface Observed in Molecular Dynamics SimulationDmitry Nerukh, Noriaki Okimoto, Atsushi Suenaga, et al.
ACS Omega|August 29, 2019
Use of the Multilayer Fragment Molecular Orbital Method to Predict the Rank Order of Protein-Ligand Binding Affinities: A Case Study Using Tankyrase 2 InhibitorsNoriaki Okimoto, Takao Otsuka, Yoshinori Hirano, et al.
Biophysical Chemistry|March 26, 2011
Structural characteristics of hydration sites in lysozymeKunitsugu Soda, Yudai Shimbo, Yasutaka Seki, et al.
Journal of Computational Chemistry|April 8, 2009
Current performance gains from utilizing the GPU or the ASIC MDGRAPE-3 within an enhanced Poisson Boltzmann approachTetsu Narumi, Kenji Yasuoka, Makoto Taiji, et al.
ACS Omega|July 19, 2021
Molecular Dynamics Study of Conformational Changes of Tankyrase 2 Binding Subsites upon Ligand BindingYoshinori Hirano, Noriaki Okimoto, Shigeo Fujita, et al.
Journal of Computational Chemistry|September 16, 2014
A new set of atomic radii for accurate estimation of solvation free energy by Poisson-Boltzmann solvent modelJunya Yamagishi, Noriaki Okimoto, Gentaro Morimoto, et al.
Pageof 5