Lista de obras - Norio Yoshida - Dominio Público Uruguay

A 3D-RISM/RISM study of the oseltamivir binding efficiency with the wild-type and resistance-associated mutant forms of the viral influenza B neuraminidase.

artículo científico publicado en 2015

A New Approach for Investigating the Molecular Recognition of Protein: Toward Structure-Based Drug Design Based on the 3D-RISM Theory

artículo científico publicado en 2011

A computational method to simulate global conformational changes of proteins induced by cosolvent

artículo científico publicado en 2021

A computational scheme of pKa values based on the three-dimensional reference interaction site model self-consistent field theory coupled with the linear fitting correction scheme

artículo científico publicado en 2018

A new method to determine electrostatic potential around a macromolecule in solution from molecular wave functions.

artículo científico publicado en 2006

A relationship between the force curve measured by atomic force microscopy in an ionic liquid and its density distribution on a substrate

artículo científico publicado en 2017

Ab initio theoretical study of temperature and density dependence of molecular and thermodynamic properties of water in the entire fluid region: autoionization processes

scientific article published on 01 April 2006

An Atomistic Model of a Precursor State of Light-Induced Channel Opening of Channelrhodopsin

artículo científico publicado en 2018

Application of efficient algorithm for solving six-dimensional molecular Ornstein-Zernike equation.

artículo científico publicado en 2012

Biophysics at Kyushu University

artículo científico publicado en 2020

Conformational equilibrium of 1,2-dichloroethane in water: comparison of PCM and RISM-SCF methods

scientific article published on 01 August 2006

Cover Image

artículo científico publicado en 2021

Development of a solvent-polarizable three-dimensional reference interaction-site model theory

scientific article published on 01 March 2020

Distinct ionic adsorption sites in defective Prussian blue: a 3D-RISM study

scientific article published on 07 October 2019

Effect of Molecular Orientational Correlations on Solvation Free Energy Computed by Reference Interaction Site Model Theory

artículo científico publicado en 2019

Efficient implementation of the three-dimensional reference interaction site model method in the fragment molecular orbital method

artículo científico publicado en 2014

Electrolytes in biomolecular systems studied with the 3D-RISM/RISM theory.

artículo científico publicado en 2011

Elucidating the Molecular Origin of Hydrolysis Energy of Pyrophosphate in Water.

artículo científico publicado en 2012

Erratum: "Development of a solvent-polarizable three-dimensional reference interaction-site model theory" [J. Chem. Phys. 152, 114108 (2020)]

artículo científico publicado en 2020

Extended molecular Ornstein-Zernike integral equation for fully anisotropic solute molecules: formulation in a rectangular coordinate system

artículo científico publicado en 2013

Massively parallel implementation of 3D-RISM calculation with volumetric 3D-FFT

artículo científico publicado en 2014

Molecular Mechanism of Depolarization-Dependent Inactivation in W366F Mutant of Kv1.2

artículo científico publicado en 2018

Molecular Recognition Explored by a Statistical-Mechanics Theory of Liquids ⬇️

artículo científico publicado el 1 de enero de 2011

Molecular recognition in biomolecules studied by statistical-mechanical integral-equation theory of liquids.

artículo científico publicado en 2009

Nonequilibrium free-energy profile of charge-transfer reaction in polarizable solvent studied using solvent-polarizable three-dimensional reference interaction-site model theory

artículo científico publicado en 2020

On the proton exclusion of aquaporins: a statistical mechanics study

scientific article published on 11 January 2008

Placevent: an algorithm for prediction of explicit solvent atom distribution-application to HIV-1 protease and F-ATP synthase.

artículo científico publicado en 2012

Relation between Anharmonicity of Free-Energy Profile and Spectroscopy in Solvation Dynamics: Differences in Spectral Broadening and Peak Shift in Transient Hole-Burning Spectroscopy Studied by Equilibrium Molecular Dynamics Simulation

scientific article published on 05 August 2019

Revisiting the salt-induced conformational change of DNA with 3D-RISM theory

artículo científico publicado en 2010

Role of Mg Ions in DNA Hydrolysis by EcoRV, Studied by the 3D-Reference Interaction Site Model and Molecular Dynamics

artículo científico publicado en 2018

Role of Solvation in Drug Design as Revealed by the Statistical Mechanics Integral Equation Theory of Liquids

artículo científico publicado en 2017

Selective ion binding by protein probed with the statistical mechanical integral equation theory.

artículo científico publicado en 2007

Selective ion-binding by protein probed with the 3D-RISM theory

scientific article published on 01 September 2006

Solvatochromism and preferential solvation of Brooker's merocyanine in water-methanol mixtures.

artículo científico publicado en 2017

Solvent dependence of Stokes shift for organic solute-solvent systems: A comparative study by spectroscopy and reference interaction-site model-self-consistent-field theory

artículo científico publicado en 2013

The ion dependence of carbohydrate binding of CBM36: an MD and 3D-RISM study.

artículo científico publicado en 2016

Theoretical analysis of co-solvent effect on the proton transfer reaction of glycine in a water-acetonitrile mixture

artículo científico publicado en 2015

Theoretical analysis of the domain-swapped dimerization of cytochrome c: An MD and 3D-RISM approach.

artículo científico publicado en 2018

Theoretical characterization of the "ridge" in the supercritical region in the fluid phase diagram of water

scientific article published on 01 March 2014

Theoretical study of CO escaping pathway in myoglobin with the 3D-RISM theory.

artículo científico publicado en 2009

Theoretical study of salt effects on the Diels-Alder reaction of cyclopentadiene with methyl vinyl ketone using RISM-SCF theory.

artículo científico publicado en 2013

Theoretical study of temperature and solvent dependence of the free-energy surface of the intramolecular electron-transfer based on the RISM-SCF theory: application to the 1,3-dinitrobenzene radical anion in acetonitrile and methanol

artículo científico publicado en 2007

Three-Dimensional Reference Interaction Site Model Self-Consistent Field Study on the Coordination Structure and Excitation Spectra of Cu(II)-Water Complexes in Aqueous Solution

scientific article published on 04 April 2019

Three-dimensional reference interaction site model self-consistent field analysis of solvent and substituent effects on the absorption spectra of Brooker's merocyanine.

artículo científico publicado en 2015

Three-dimensional reference interaction site model self-consistent field study of the electronic structure of [Cr(H2O)6]3+ in aqueous solution

artículo científico publicado en 2013

Lista de obras de Norio Yoshida

A 3D-RISM/RISM study of the oseltamivir binding efficiency with the wild-type and resistance-associated mutant forms of the viral influenza B neuraminidase.

A New Approach for Investigating the Molecular Recognition of Protein: Toward Structure-Based Drug Design Based on the 3D-RISM Theory

A computational method to simulate global conformational changes of proteins induced by cosolvent

A computational scheme of pKa values based on the three-dimensional reference interaction site model self-consistent field theory coupled with the linear fitting correction scheme

A new method to determine electrostatic potential around a macromolecule in solution from molecular wave functions.

A relationship between the force curve measured by atomic force microscopy in an ionic liquid and its density distribution on a substrate

Ab initio theoretical study of temperature and density dependence of molecular and thermodynamic properties of water in the entire fluid region: autoionization processes

An Atomistic Model of a Precursor State of Light-Induced Channel Opening of Channelrhodopsin

Application of efficient algorithm for solving six-dimensional molecular Ornstein-Zernike equation.

Biophysics at Kyushu University

Conformational equilibrium of 1,2-dichloroethane in water: comparison of PCM and RISM-SCF methods

Cover Image

Development of a solvent-polarizable three-dimensional reference interaction-site model theory

Distinct ionic adsorption sites in defective Prussian blue: a 3D-RISM study

Effect of Molecular Orientational Correlations on Solvation Free Energy Computed by Reference Interaction Site Model Theory

Efficient implementation of the three-dimensional reference interaction site model method in the fragment molecular orbital method

Electrolytes in biomolecular systems studied with the 3D-RISM/RISM theory.

Elucidating the Molecular Origin of Hydrolysis Energy of Pyrophosphate in Water.

Erratum: "Development of a solvent-polarizable three-dimensional reference interaction-site model theory" [J. Chem. Phys. 152, 114108 (2020)]

Extended molecular Ornstein-Zernike integral equation for fully anisotropic solute molecules: formulation in a rectangular coordinate system

Massively parallel implementation of 3D-RISM calculation with volumetric 3D-FFT

Molecular Mechanism of Depolarization-Dependent Inactivation in W366F Mutant of Kv1.2

Molecular Recognition Explored by a Statistical-Mechanics Theory of Liquids ⬇️

Molecular recognition in biomolecules studied by statistical-mechanical integral-equation theory of liquids.

Nonequilibrium free-energy profile of charge-transfer reaction in polarizable solvent studied using solvent-polarizable three-dimensional reference interaction-site model theory

On the proton exclusion of aquaporins: a statistical mechanics study

Placevent: an algorithm for prediction of explicit solvent atom distribution-application to HIV-1 protease and F-ATP synthase.

Relation between Anharmonicity of Free-Energy Profile and Spectroscopy in Solvation Dynamics: Differences in Spectral Broadening and Peak Shift in Transient Hole-Burning Spectroscopy Studied by Equilibrium Molecular Dynamics Simulation

Revisiting the salt-induced conformational change of DNA with 3D-RISM theory

Role of Mg Ions in DNA Hydrolysis by EcoRV, Studied by the 3D-Reference Interaction Site Model and Molecular Dynamics

Role of Solvation in Drug Design as Revealed by the Statistical Mechanics Integral Equation Theory of Liquids

Selective ion binding by protein probed with the statistical mechanical integral equation theory.

Selective ion-binding by protein probed with the 3D-RISM theory

Solvatochromism and preferential solvation of Brooker's merocyanine in water-methanol mixtures.

Solvent dependence of Stokes shift for organic solute-solvent systems: A comparative study by spectroscopy and reference interaction-site model-self-consistent-field theory

The ion dependence of carbohydrate binding of CBM36: an MD and 3D-RISM study.

Theoretical analysis of co-solvent effect on the proton transfer reaction of glycine in a water-acetonitrile mixture

Theoretical analysis of the domain-swapped dimerization of cytochrome c: An MD and 3D-RISM approach.

Theoretical characterization of the "ridge" in the supercritical region in the fluid phase diagram of water

Theoretical study of CO escaping pathway in myoglobin with the 3D-RISM theory.

Theoretical study of salt effects on the Diels-Alder reaction of cyclopentadiene with methyl vinyl ketone using RISM-SCF theory.

Theoretical study of temperature and solvent dependence of the free-energy surface of the intramolecular electron-transfer based on the RISM-SCF theory: application to the 1,3-dinitrobenzene radical anion in acetonitrile and methanol

Three-Dimensional Reference Interaction Site Model Self-Consistent Field Study on the Coordination Structure and Excitation Spectra of Cu(II)-Water Complexes in Aqueous Solution

Three-dimensional reference interaction site model self-consistent field analysis of solvent and substituent effects on the absorption spectra of Brooker's merocyanine.

Three-dimensional reference interaction site model self-consistent field study of the electronic structure of [Cr(H2O)6]3+ in aqueous solution