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List of works by Wataru Shinoda

A Transferable Coarse Grain Non-bonded Interaction Model For Amino Acids.

scientific article

A coarse-grain model for entangled polyethylene melts and polyethylene crystallization

scientific article published on 01 June 2019

A guiding potential method for evaluating the bending rigidity of tensionless lipid membranes from molecular simulation

scientific article published on 01 July 2013

A mean field approach for computing solid-liquid surface tension for nanoscale interfaces

scientific article published on 01 February 2010

Average Conformation of Branched Chain Lipid PGP-Me That Accounts for the Thermal Stability and High-Salinity Resistance of Archaeal Membranes

scientific article published on 04 September 2019

Calculation of heat capacities of light and heavy water by path-integral molecular dynamics

scientific article published in October 2005

Cholesterol effect on water permeability through DPPC and PSM lipid bilayers: a molecular dynamics study

scientific article published in December 2011

Cholesterol-Induced Conformational Change in the Sphingomyelin Headgroup

scientific article published on 25 June 2019

Coarse-grained molecular dynamics study of membrane fusion: Curvature effects on free energy barriers along the stalk mechanism.

scientific article

Coarse-grained potential models for phenyl-based molecules: I. Parametrization using experimental data

scientific article

Coarse-grained potential models for phenyl-based molecules: II. Application to fullerenes.

scientific article published in May 2010

Computer simulation studies of self-assembling macromolecules.

scientific article published on 06 March 2012

Direct Evidence for Li Ion Hopping Conduction in Highly Concentrated Sulfolane-Based Liquid Electrolytes

scientific article published on 16 November 2018

Divining the shape of nascent polymer crystal nuclei

scientific article published on 01 October 2019

Effect of different substituents on the water-solubility and stability properties of 1 : 2 [60]fullerene derivative·gamma-cyclodextrin complexes

scientific article

Effect of the cation on the stability of cation-glyme complexes and their interactions with the [TFSA]- anion

scientific article published on 01 July 2017

Effects of Packing Density and Chain Length on the Surface Hydrophobicity of Thin Films Composed of Perfluoroalkyl Acrylate Chains: A Molecular Dynamics Study

scientific article published on 22 October 2019

Effects of conformational flexibility of alkyl chains of cations on diffusion of ions in ionic liquids

scientific article published on 21 February 2011

Enhanced hydrophobicity of fluorinated lipid bilayer: a molecular dynamics study

scientific article published on 19 August 2008

Evolving better solvate electrolytes for lithium secondary batteries

scientific article published in January 2024

Exact long-range Coulombic energy calculation for net charged systems neutralized by uniformly distributed background charge using fast multipole method and its application to efficient free energy calculation

scientific article published on 01 June 2020

Free energy analysis along the stalk mechanism of membrane fusion

scientific article published on 01 May 2014

Free-energy analysis of the molecular binding into lipid membrane with the method of energy representation

scientific article published in May 2008

Heteroaryldihydropyrimidines Alter Capsid Assembly By Adjusting the Binding Affinity and Pattern of the Hepatitis B Virus Core Protein

scientific article published on 05 December 2019

Identification of Factors Promoting HBV Capsid Self-Assembly by Assembly-Promoting Antivirals

scientific article published on 8 January 2018

Interactions in ion pairs of protic ionic liquids: comparison with aprotic ionic liquids

scientific article published in November 2013

Interactions of perfluoroalkyltrifluoroborate anions with li ion and imidazolium cation: effects of perfluoroalkyl chain on motion of ions in ionic liquids

scientific article published on September 2010

Intermolecular interactions in Li+-glyme and Li+-glyme-TFSA- complexes: relationship with physicochemical properties of [Li(glyme)][TFSA] ionic liquids

scientific article published on 17 April 2013

Janus dendrimersomes coassembled from fluorinated, hydrogenated, and hybrid Janus dendrimers as models for cell fusion and fission.

scientific article published on 7 August 2017

Large-scale molecular dynamics simulations of self-assembling systems

scientific article published in August 2008

Method of evaluating curvature-dependent elastic parameters for small unilamellar vesicles using molecular dynamics trajectory

scientific article published in March 2013

Micellization Studied by GPU-Accelerated Coarse-Grained Molecular Dynamics

scientific article published on 22 November 2011

Models for phosphatidylglycerol lipids put to a structural test

scientific article published on May 2009

Molecular Behavior of Linear Alkylbenzene Sulfonate in Hydrated Crystal, Tilted Gel, and Liquid Crystal Phases Studied by Molecular Dynamics Simulation

scientific article published on 07 August 2019

Molecular dynamics simulation of swollen membrane of perfluorinated ionomer

scientific article published on 01 March 2005

Molecular dynamics simulations of cholesterol-rich membranes using a coarse-grained force field for cyclic alkanes.

scientific article published in December 2015

Molecular dynamics simulations of ionic liquids: cation and anion dependence of self-diffusion coefficients of ions.

scientific article published in August 2009

Molecular dynamics simulations of self-organized polyicosahedral Si nanowire

scientific article published on 01 August 2006

Molecular dynamics study of catanionic bilayers composed of ion pair amphiphile with double-tailed cationic surfactant

scientific article published on 15 May 2012

Molecular dynamics study of the methanol effect on the membrane morphology of perfluorosulfonic ionomers

scientific article published on 01 September 2005

Molecular dynamics study of thermodynamic stability and dynamics of [Li(glyme)] complex in lithium-glyme solvate ionic liquids

article

Molecular simulation of the shape deformation of a polymersome

scientific article published on 01 April 2020

Monodisperse Polymer Melts Crystallize via Structurally Polydisperse Nanoscale Clusters: Insights from Polyethylene

scientific article published on 14 February 2020

Novel numerical method for calculating the pressure tensor in spherical coordinates for molecular systems

scientific article published in September 2011

Parametrization and application of a coarse grained force field for benzene/fullerene interactions with lipids.

scientific article published on 19 November 2010

Permeability across lipid membranes

scientific article published on 13 April 2016

Position-Dependent Diffusion Constant of Molecules in Heterogeneous Systems as Evaluated by the Local Mean Squared Displacement

scientific article published on 29 November 2020

Premicelles and monomer exchange in aqueous surfactant solutions above and below the critical micelle concentration

scientific article published in January 2012

Quantum simulation of the heat capacity of water

scientific article published on 22 April 2005

Regioselective recognition of a [60]fullerene-bisadduct by cyclodextrin

scientific article published on 20 February 2013

Rigid-body dynamics in the isothermal-isobaric ensemble: a test on the accuracy and computational efficiency

scientific article published on 01 June 2003

SPICA Force Field for Lipid Membranes: Domain Formation Induced by Cholesterol

scientific article published on 18 December 2018

SPICA Force Field for Proteins and Peptides

scientific article published on 12 April 2022

Size-dependent hydrophobic to hydrophilic transition for nanoparticles: a molecular dynamics study

scientific article published on 01 December 2009

Spatial confinement effect on the atomic structure of solid argon

scientific article published on 01 March 2005

Structure of Hydrated Crystal (Lc), Tilted Gel (Lβ'), and Liquid Crystal (Lα) Phases of Linear Alkylbenzene Sulfonate (LAS) Studied by X-ray Diffraction and Molecular Dynamics Simulation

scientific article published on 24 June 2019

Structures of [Li(glyme)](+) complexes and their interactions with anions in equimolar mixtures of glymes and Li[TFSA]: analysis by molecular dynamics simulations

scientific article published on 01 January 2015

The Amphotericin B-Ergosterol Complex Spans a Lipid Bilayer as a Single-Length Assembly

scientific article published on 12 December 2019

Transferable coarse-grained model for perfluorosulfonic acid polymer membranes.

scientific article published in September 2017

United-Atom Acyl Chains for CHARMM Phospholipids

scientific article published on 16 May 2008

Zwitterionic lipid assemblies: molecular dynamics studies of monolayers, bilayers, and vesicles using a new coarse grain force field

scientific article

[70]Fullerenes assist the formation of phospholipid bicelles at low lipid concentrations

scientific article published on 10 October 2014

pSPICA: A Coarse-Grained Force Field for Lipid Membranes Based on a Polar Water Model

scientific article published on 06 December 2019

tSPICA: Temperature- and Pressure-Dependent Coarse-Grained Force Field for Organic Molecules

scientific article published on 20 August 2019

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