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Publications by Hironori Kokubo

Fast Calculations of Electrostatic Solvation Free Energy From Reconstructed Solvent Density Using Proximal Radial Distribution Functions

Journal of Physical Chemistry Letters
Materials ScienceNanotechnologyPhysicalTheoretical ChemistryNanoscience
2011English

2p-071 Molecular and Thermodynamic Basis of Osmolyte Effects to Proteins by Solvation Free Energy Calculations(The 46th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri
2008English

Related publications

Minimization of Electrostatic Free Energy and the Poisson–Boltzmann Equation for Molecular Solvation With Implicit Solvent

SIAM Journal on Mathematical Analysis
Computational MathematicsApplied MathematicsAnalysis
2009English

Free Energy Calculations of Crystalline Hard Sphere Complexes Using Density Functional Theory

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2014English

Explicitly Representing the Solvation Shell in Continuum Solvent Calculations

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2009English

Methods to Improve the Calculations of Solvation Model Density Solvation Free Energies and Associated Aqueous pKa Values: Comparison Between Choosing an Optimal Theoretical Level, Solute Cavity Scaling, and Using Explicit Solvent Molecules

English

Free-Energy Density Functions for Nematic Elastomers

Journal of the Mechanics and Physics of Solids
Mechanics of MaterialsCondensed Matter PhysicsMechanical Engineering
2004English

Using Committor and Its Distribution to Assess the Convergence of Free Energy Calculations

Biophysical Journal
Biophysics
2019English

2P044 Fast Numerical Calculation of Molecular Surface Area, Volume and Solvation Free Energy

Seibutsu Butsuri
2004English

Interacting Quantum Atoms Approach and Electrostatic Solvation Energy: Assessing Atomic and Group Solvation Contributions

ChemPhysChem
Theoretical ChemistryPhysicalOpticsAtomicMolecular Physics,
2018English

Hybrid QSPR Models for the Prediction of the Free Energy of Solvation of Organic Solute/Solvent Pairs

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2019English

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