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All-atom molecular dynamics study of impact fracture of glassy polymers. I: Molecular mechanism of brittleness of PMMA and ductility of PC

Polymer (Guilford), 2019-09, Vol.178, p.121570, Article 121570

2019

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Permeability across lipid membranes

Biochimica et biophysica acta, 2016-10, Vol.1858 (10), p.2254-2265

Shinoda, Wataru

2016

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Cooperative antimicrobial action of melittin on lipid membranes: A coarse-grained molecular dynamics study

Biochimica et biophysica acta. Biomembranes, 2022-09, Vol.1864 (9), p.183955-183955, Article 183955

2022

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Free energy analysis of membrane pore formation process in the presence of multiple melittin peptides

Biochimica et biophysica acta. Biomembranes, 2019-07, Vol.1861 (7), p.1409-1419

2019

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Precise calculation of the local pressure tensor in Cartesian and spherical coordinates in LAMMPS

Computer physics communications, 2015-05, Vol.190, p.120-128

2015

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Molecular mechanism of material deformation and failure in butadiene rubber: Insight from all-atom molecular dynamics simulation using a bond breaking potential model

Polymer (Guilford), 2019-04, Vol.170, p.113-119

2019

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Exploring the effect of pendent side chain length on the structural and mechanical properties of hydrated perfluorosulfonic acid polymer membranes by molecular dynamics simulation

Polymer (Guilford), 2018-06, Vol.146, p.53-62

2018

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Isokinetic approach in logarithmic mean-force dynamics for on-the-fly free energy reconstruction

Chemical physics letters, 2018-08, Vol.706, p.633-640

2018

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Cholesterol-Induced Conformational Change in the Sphingomyelin Headgroup

Biophysical journal, 2019-07, Vol.117 (2), p.307-318

2019

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Fluorination effects on structure and dynamics of phospholipid bilayer: A molecular dynamics study

Chemical physics letters, , Vol.468 (4), p.260-263

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Seipin Accumulates and Traps Diacylglycerols and Tryglycerides in Its Ring-Like Structure

Biophysical journal, 2021-02, Vol.120 (3), p.231a-231a

2021

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Computer simulation studies of self-assembling macromolecules

Current opinion in structural biology, 2012-04, Vol.22 (2), p.175-186

2012

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Dynamics of a highly branched lipid bilayer: a molecular dynamics study

Chemical physics letters, 2004-05, Vol.390 (1), p.35-40

2004

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Protein–lipid acyl chain interactions: Depth-dependent changes of segmental mobility of phospholipid in contact with bacteriorhodopsin

Biophysical chemistry, 2024-05, Vol.308, p.107204-107204, Article 107204

2024

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Large-scale molecular dynamics simulation of perfluorosulfonic acid membranes: Remapping coarse-grained to all-atomistic simulations

Polymer (Guilford), 2019-10, Vol.181, p.121766, Article 121766

2019

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

Chemical physics letters, 2012-01, Vol.522, p.38-42

2012

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Mutation detection of urinary cell-free DNA via catch-and-release isolation on nanowires for liquid biopsy

Biosensors & bioelectronics, 2023-08, Vol.234, p.115318-115318, Article 115318

2023

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Molecular Dynamics Study of Bipolar Tetraether Lipid Membranes

Biophysical journal, 2005-11, Vol.89 (5), p.3195-3202

2005

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Paramaterization of a coarse-grained model for linear alkylbenzene sulfonate surfactants and molecular dynamics studies of their self-assembly in aqueous solution

Chemical physics letters, 2010-02, Vol.487 (1), p.71-76

2010

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The shear hysteresis in lamellar structure of surfactant–water binary system

Chemical physics, 2010-01, Vol.367 (1), p.20-26

2010

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Molecular dynamics simulation of the dipalmitoylphosphatidylcholine (DPPC) lipid bilayer in the fluid phase using the Nosé-Parrinello-Rahman NPT ensemble

Chemical physics letters, 1995-01, Vol.232 (3), p.308-312

1995

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Development of a Coarse-Grained Model for the Surfactant Family of Linear Alkylbenzene Sulfonates

Biophysical journal, 2011-02, Vol.100 (3), p.147a-147a

2011

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Two-dimensional self-assembled structures of adenine molecules: modeling and simulation

Surface science, 2004-05, Vol.556 (2), p.109-120

2004

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Self-guided molecular dynamics in the isothermal–isobaric ensemble

Chemical physics letters, 2001-02, Vol.335 (3), p.265-272

2001

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Intermolecular interaction between the pendant chain of perfluorinated ionomer and methanol

Journal of fluorine chemistry, 2005-10, Vol.126 (9), p.1312-1320

2005

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All-atom molecular dynamics study of impact fracture of glassy polymers. I: Molecular mechanism of brittleness of PMMA and ductility of PC

Permeability across lipid membranes

Cooperative antimicrobial action of melittin on lipid membranes: A coarse-grained molecular dynamics study

Free energy analysis of membrane pore formation process in the presence of multiple melittin peptides

Precise calculation of the local pressure tensor in Cartesian and spherical coordinates in LAMMPS

Molecular mechanism of material deformation and failure in butadiene rubber: Insight from all-atom molecular dynamics simulation using a bond breaking potential model

Exploring the effect of pendent side chain length on the structural and mechanical properties of hydrated perfluorosulfonic acid polymer membranes by molecular dynamics simulation

Isokinetic approach in logarithmic mean-force dynamics for on-the-fly free energy reconstruction

Cholesterol-Induced Conformational Change in the Sphingomyelin Headgroup

Fluorination effects on structure and dynamics of phospholipid bilayer: A molecular dynamics study

Seipin Accumulates and Traps Diacylglycerols and Tryglycerides in Its Ring-Like Structure

Computer simulation studies of self-assembling macromolecules

Dynamics of a highly branched lipid bilayer: a molecular dynamics study

Protein–lipid acyl chain interactions: Depth-dependent changes of segmental mobility of phospholipid in contact with bacteriorhodopsin

Large-scale molecular dynamics simulation of perfluorosulfonic acid membranes: Remapping coarse-grained to all-atomistic simulations

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

Mutation detection of urinary cell-free DNA via catch-and-release isolation on nanowires for liquid biopsy

Molecular Dynamics Study of Bipolar Tetraether Lipid Membranes

Paramaterization of a coarse-grained model for linear alkylbenzene sulfonate surfactants and molecular dynamics studies of their self-assembly in aqueous solution

The shear hysteresis in lamellar structure of surfactant–water binary system

Molecular dynamics simulation of the dipalmitoylphosphatidylcholine (DPPC) lipid bilayer in the fluid phase using the Nosé-Parrinello-Rahman NPT ensemble

Development of a Coarse-Grained Model for the Surfactant Family of Linear Alkylbenzene Sulfonates

Two-dimensional self-assembled structures of adenine molecules: modeling and simulation

Self-guided molecular dynamics in the isothermal–isobaric ensemble

Intermolecular interaction between the pendant chain of perfluorinated ionomer and methanol

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