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Journal of Computational Chemistry
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September 25, 2015
Assessment and acceleration of binding energy calculations for protein-ligand complexes by the fragment molecular orbital method
Takao Otsuka, Noriaki Okimoto, Makoto Taiji
Journal of Biomolecular Structure & Dynamics
|
November 8, 2016
Evaluation of protein-ligand affinity prediction using steered molecular dynamics simulations
Noriaki Okimoto, Atsushi Suenaga, Makoto Taiji
ACS Omega
|
July 19, 2021
Molecular Dynamics Study of Conformational Changes of Tankyrase 2 Binding Subsites upon Ligand Binding
Yoshinori 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 model
Junya Yamagishi, Noriaki Okimoto, Gentaro Morimoto, et al.
The Journal of Physical Chemistry Letters
|
August 21, 2015
Ligand Diffusion on Protein Surface Observed in Molecular Dynamics Simulation
Dmitry 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 Inhibitors
Noriaki Okimoto, Takao Otsuka, Yoshinori Hirano, et al.
Plos One
|
August 24, 2012
An efficient computational method for calculating ligand binding affinities
Atsushi Suenaga, Noriaki Okimoto, Yoshinori Hirano, et al.
The Journal of Physical Chemistry. B
|
May 26, 2011
Free-energy landscapes of protein domain movements upon ligand binding
Hiroko X Kondo, Noriaki Okimoto, Gentaro Morimoto, et al.
Biophysical Journal
|
April 20, 2002
Computational studies on prion proteins: effect of Ala(117)-->Val mutation
Noriaki Okimoto, Kazunori Yamanaka, Atsushi Suenaga, et al.
Journal of Chemical Theory and Computation
|
December 5, 2015
Prediction of the Structure of Complexes Comprised of Proteins and Glycosaminoglycans Using Docking Simulation and Cluster Analysis
Tsubasa Takaoka, Kenichi Mori, Noriaki Okimoto, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 27) with videos related to
Sort By:
Page
of 3
Journal of Computational Chemistry
|
September 25, 2015
Assessment and acceleration of binding energy calculations for protein-ligand complexes by the fragment molecular orbital method
Takao Otsuka, Noriaki Okimoto, Makoto Taiji
Journal of Biomolecular Structure & Dynamics
|
November 8, 2016
Evaluation of protein-ligand affinity prediction using steered molecular dynamics simulations
Noriaki Okimoto, Atsushi Suenaga, Makoto Taiji
ACS Omega
|
July 19, 2021
Molecular Dynamics Study of Conformational Changes of Tankyrase 2 Binding Subsites upon Ligand Binding
Yoshinori 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 model
Junya Yamagishi, Noriaki Okimoto, Gentaro Morimoto, et al.
The Journal of Physical Chemistry Letters
|
August 21, 2015
Ligand Diffusion on Protein Surface Observed in Molecular Dynamics Simulation
Dmitry 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 Inhibitors
Noriaki Okimoto, Takao Otsuka, Yoshinori Hirano, et al.
Plos One
|
August 24, 2012
An efficient computational method for calculating ligand binding affinities
Atsushi Suenaga, Noriaki Okimoto, Yoshinori Hirano, et al.
The Journal of Physical Chemistry. B
|
May 26, 2011
Free-energy landscapes of protein domain movements upon ligand binding
Hiroko X Kondo, Noriaki Okimoto, Gentaro Morimoto, et al.
Biophysical Journal
|
April 20, 2002
Computational studies on prion proteins: effect of Ala(117)-->Val mutation
Noriaki Okimoto, Kazunori Yamanaka, Atsushi Suenaga, et al.
Journal of Chemical Theory and Computation
|
December 5, 2015
Prediction of the Structure of Complexes Comprised of Proteins and Glycosaminoglycans Using Docking Simulation and Cluster Analysis
Tsubasa Takaoka, Kenichi Mori, Noriaki Okimoto, et al.
Page
of 3