UB Paderborn / Katalog / Suche / in CDI

Coarse-grained molecular modeling of non-ionic surfactant self-assembly

Soft matter, 2008, Vol.4 (12), p.2454

2008

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Nanoscale carbon particles and the stability of lipid bilayers

Soft matter, 2011, Vol.7 (3), p.1139-1146

2011

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Effects of Li ion-solvent interaction on ionic transport and electrochemical properties in highly concentrated cyclic carbonate electrolytes

Journal of non-crystalline solids. X, 2021-09, Vol.11-12, p.100071, Article 100071

2021

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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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Free energy analysis along the stalk mechanism of membrane fusionElectronic supplementary information (ESI) available: Further details of the guiding potentials and a movie to show the morphology change due to the guiding potential. See DOI: 10.1039/c3sm52344f

2014-04

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SPICA Force Field for Proteins and Peptides

Journal of chemical theory and computation, 2022-05, Vol.18 (5), p.3204-3217

2022

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Development of the SPICA Coarse-grained Force Field for Lipid Membranes and the Perspective

Seibutsu Butsuri, 2020, Vol.60(3), pp.157-161

SHINODA, Wataru

2020

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Adsorption characteristics of peptides on ω-functionalized self-assembled monolayers: a molecular dynamics study

Physical chemistry chemical physics : PCCP, 2022-06, Vol.24 (24), p.1485-14815

2022

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Amphotericin B assembles into seven-molecule ion channels: An NMR and molecular dynamics study

Science advances, 2022-06, Vol.8 (24), p.eabo2658-eabo2658

2022

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Effect of the cation on the stability of cation-glyme complexes and their interactions with the [TFSA]− anionElectronic supplementary information (ESI) available: Procedures of geometry optimizations, calculations of stabilization enthalpies and free energies, measurements of thermal properties, and X-ray crystallography. Thermal decomposition temperatures. Crystallographic data. Optimized geometries and stabilization energies of the complexes. Crystal structures of [Mg(G3)][TFSA]2 and [Mg(G5)][

2017-07

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

The Journal of chemical physics, 2015-12, Vol.143 (24)

2015

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[70]Fullerenes Assist the Formation of Phospholipid Bicelles at Low Lipid Concentrations

Langmuir, 2014-10, Vol.30 (41), p.12315-12320

2014

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脂質膜系の粗視化力場SPICAの開発とその展望

生物物理, 2020, Vol.60(3), pp.157-161

篠田, 渉

2020

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Quantum simulation of the heat capacity of water

Physical review. E, Statistical, nonlinear, and soft matter physics, 2005-04, Vol.71 (4), Article 041204

2005

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Self-assembled Structure of Amphiphiles by Coarse-grained Molecular Model

Seibutsu Butsuri, 2010, Vol.50(5), pp.232-235

SHINODA, Wataru

2010

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Structures of [Li(glyme)]+ complexes and their interactions with anions in equimolar mixtures of glymes and Li[TFSA]: analysis by molecular dynamics simulationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c4cp04718d

2014-12

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

Physical chemistry chemical physics : PCCP, 2014-12, Vol.17 (1), p.126-129

2014

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Computer Simulation of Self-Assembling Macromolecules: Hierarchical Macromolecular Structures: 60 Years after the Staudinger Nobel Prize II

Advances in polymer science, 2013, Vol.262, p.93-107

2013

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2G1400 Morphology change of fusion stalk studied by molecular dynamics simulation(Biological & Artificial Membranes,Oral Presentation,The 50th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri, 2012/08/15, Vol.52(supplement), pp.S49

2012

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2G1400 膜融合におけるストーク構造からの変形 : 分子動力学シミュレーション(生体膜・人工膜,口頭発表,日本生物物理学会第50回年会(2012年度))

生物物理, 2012/08/15, Vol.52(supplement), pp.S49

2012

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Large-Scale Molecular Dynamics Simulations of Self-Assembling Systems : Challenges in Theoretical Chemistry

Science (American Association for the Advancement of Science), 2008, Vol.321 (5890), p.798-800

2008

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Probing the structure of PEGylated-lipid assemblies by coarse-grained molecular dynamicsElectronic supplementary information (ESI) available. See DOI: 10.1039/c3sm52290c

2013-11

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Effect of different substituents on the water-solubility and stability properties of 1 : 2 [60]fullerene derivative·gamma-cyclodextrin complexesElectronic supplementary information (ESI) available: UV-vis absorption and 1H NMR spectra, MD simulations and electrostatic potential maps. See DOI: 10.1039/c3ob41513a

2013-10

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

Organic & biomolecular chemistry, 2013-10, Vol.11 (45), p.7843-7851

2013

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Effects of conformational flexibility of alkyl chains of cations on diffusion of ions in ionic liquidsElectronic supplementary information (ESI) available: See DOI: 10.1039/c0cp02087g

2011-03

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Coarse-grained molecular modeling of non-ionic surfactant self-assembly

Nanoscale carbon particles and the stability of lipid bilayers

Effects of Li ion-solvent interaction on ionic transport and electrochemical properties in highly concentrated cyclic carbonate electrolytes

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

Free energy analysis along the stalk mechanism of membrane fusionElectronic supplementary information (ESI) available: Further details of the guiding potentials and a movie to show the morphology change due to the guiding potential. See DOI: 10.1039/c3sm52344f

SPICA Force Field for Proteins and Peptides

Development of the SPICA Coarse-grained Force Field for Lipid Membranes and the Perspective

Adsorption characteristics of peptides on ω-functionalized self-assembled monolayers: a molecular dynamics study

Amphotericin B assembles into seven-molecule ion channels: An NMR and molecular dynamics study

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

[70]Fullerenes Assist the Formation of Phospholipid Bicelles at Low Lipid Concentrations

脂質膜系の粗視化力場SPICAの開発とその展望

Quantum simulation of the heat capacity of water

Self-assembled Structure of Amphiphiles by Coarse-grained Molecular Model

Structures of [Li(glyme)]+ complexes and their interactions with anions in equimolar mixtures of glymes and Li[TFSA]: analysis by molecular dynamics simulationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c4cp04718d

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

Computer Simulation of Self-Assembling Macromolecules: Hierarchical Macromolecular Structures: 60 Years after the Staudinger Nobel Prize II

2G1400 Morphology change of fusion stalk studied by molecular dynamics simulation(Biological & Artificial Membranes,Oral Presentation,The 50th Annual Meeting of the Biophysical Society of Japan)

2G1400 膜融合におけるストーク構造からの変形 : 分子動力学シミュレーション(生体膜・人工膜,口頭発表,日本生物物理学会第50回年会(2012年度))

Large-Scale Molecular Dynamics Simulations of Self-Assembling Systems : Challenges in Theoretical Chemistry

Probing the structure of PEGylated-lipid assemblies by coarse-grained molecular dynamicsElectronic supplementary information (ESI) available. See DOI: 10.1039/c3sm52290c

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

Effects of conformational flexibility of alkyl chains of cations on diffusion of ions in ionic liquidsElectronic supplementary information (ESI) available: See DOI: 10.1039/c0cp02087g

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