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Toward Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient Conditions

The journal of physical chemistry. B, 2015-12, Vol.119 (49), p.15075-15088

2015

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New Interaction Parameters for Oxygen Compounds in the GROMOS Force Field: Improved Pure-Liquid and Solvation Properties for Alcohols, Ethers, Aldehydes, Ketones, Carboxylic Acids, and Esters

Journal of chemical theory and computation, 2011-04, Vol.7 (4), p.1016-1031

2011

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A GROMOS Parameter Set for Vicinal Diether Functions: Properties of Polyethyleneoxide and Polyethyleneglycol

Journal of chemical theory and computation, 2012-10, Vol.8 (10), p.3943-3963

2012

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On the Orientation of a Designed Transmembrane Peptide: Toward the Right Tilt Angle?

Journal of the American Chemical Society, 2007-12, Vol.129 (49), p.15174-15181

2007

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Amphipathic Lipid Packing Sensor Motifs: Probing Bilayer Defects with Hydrophobic Residues

Biophysical journal, 2013-02, Vol.104 (3), p.575-584

2013

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A GROMOS-Compatible Force Field for Small Organic Molecules in the Condensed Phase: The 2016H66 Parameter Set

Journal of chemical theory and computation, 2016-08, Vol.12 (8), p.3825-3850

2016

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Molecular Study of Ultrasound-Triggered Release of Fluorescein from Liposomes

Langmuir, 2021-04, Vol.37 (13), p.3868-3881

2021

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Overlay databank unlocks data-driven analyses of biomolecules for all

Nature communications, 2024-02, Vol.15 (1), p.1136-1136, Article 1136

2024

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Conical Lipids in Flat Bilayers Induce Packing Defects Similar to that Induced by Positive Curvature

Biophysical journal, 2013-02, Vol.104 (3), p.585-593

2013

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A Coarse-Grained MARTINI Model of Polyethylene Glycol and of Polyoxyethylene Alkyl Ether Surfactants

The journal of physical chemistry. B, 2012-12, Vol.116 (49), p.14353-14362

2012

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Inverse Conformational Selection in Lipid–Protein Binding

Journal of the American Chemical Society, 2021-09, Vol.143 (34), p.13701-13709

2021

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Influence of the Treatment of Nonbonded Interactions on the Thermodynamic and Transport Properties of Pure Liquids Calculated Using the 2016H66 Force Field

Journal of chemical theory and computation, 2019-03, Vol.15 (3), p.1806-1826

2019

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Effect of Dimethyl Sulfoxide on the Binding of 1‑Adamantane Carboxylic Acid to β- and γ‑Cyclodextrins

ACS omega, 2018-01, Vol.3 (1), p.1014-1021

2018

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Biophysical Insight on the Membrane Insertion of an Arginine-Rich Cell-Penetrating Peptide

International journal of molecular sciences, 2019-09, Vol.20 (18), p.4441

2019

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Cooperation of Conical and Polyunsaturated Lipids to Regulate Initiation and Processing of Membrane Fusion

Frontiers in molecular biosciences, 2021-10, Vol.8, p.763115-763115

2021

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Modeling and molecular dynamics of HPA-1a and -1b polymorphisms: effects on the structure of the β3 subunit of the αIIbβ3 integrin

PloS one, 2012, Vol.7 (11), p.e47304

2012

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Nuclear pore targeting of the yeast Pom33 nucleoporin depends on karyopherin and lipid binding

Journal of cell science, 2015-01, Vol.128 (2), p.305-316

2015

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Interdigitation between Triglycerides and Lipids Modulates Surface Properties of Lipid Droplets

Biophysical journal, 2017-04, Vol.112 (7), p.1417-1430

2017

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Correction: Modeling and Molecular Dynamics of HPA-1a and -1b Polymorphisms: Effects on the Structure of the β3 Subunit of the αIIbβ3 Integrin

PloS one, 2013-02, Vol.8 (2)

2013

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Anionic lipids induce a fold-unfold transition in the membrane-translocating Engrailed homeodomain

Biochimica et biophysica acta. Biomembranes, 2022-11, Vol.1864 (11), p.184030-184030, Article 184030

2022

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On the Effect of the Various Assumptions and Approximations used in Molecular Simulations on the Properties of Bio‐Molecular Systems: Overview and Perspective on Issues

Chemphyschem, 2021-02, Vol.22 (3), p.264-282

2021

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Reassessing the role of defensin in the innate immune response of the mosquito, Aedes aegypti

Insect molecular biology, 2004-04, Vol.13 (2), p.125-132

2004

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Structural Bases for the Involvement of Phosphatidylinositol-4,5-bisphosphate in the Internalization of the Cell-Penetrating Peptide Penetratin

ACS chemical biology, 2022-06, Vol.17 (6), p.1427-1439

2022

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novel lectin with a fibrinogen-like domain and its potential involvement in the innate immune response of Armigeres subalbatus against bacteria

Insect molecular biology, 2004-06, Vol.13 (3), p.273-282

2004

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Simulating Bilayers of Nonionic Surfactants with the GROMOS-Compatible 2016H66 Force Field

Langmuir, 2017-10, Vol.33 (39), p.10225-10238

2017

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Toward Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient Conditions

New Interaction Parameters for Oxygen Compounds in the GROMOS Force Field: Improved Pure-Liquid and Solvation Properties for Alcohols, Ethers, Aldehydes, Ketones, Carboxylic Acids, and Esters

A GROMOS Parameter Set for Vicinal Diether Functions: Properties of Polyethyleneoxide and Polyethyleneglycol

On the Orientation of a Designed Transmembrane Peptide: Toward the Right Tilt Angle?

Amphipathic Lipid Packing Sensor Motifs: Probing Bilayer Defects with Hydrophobic Residues

A GROMOS-Compatible Force Field for Small Organic Molecules in the Condensed Phase: The 2016H66 Parameter Set

Molecular Study of Ultrasound-Triggered Release of Fluorescein from Liposomes

Overlay databank unlocks data-driven analyses of biomolecules for all

Conical Lipids in Flat Bilayers Induce Packing Defects Similar to that Induced by Positive Curvature

A Coarse-Grained MARTINI Model of Polyethylene Glycol and of Polyoxyethylene Alkyl Ether Surfactants

Inverse Conformational Selection in Lipid–Protein Binding

Influence of the Treatment of Nonbonded Interactions on the Thermodynamic and Transport Properties of Pure Liquids Calculated Using the 2016H66 Force Field

Effect of Dimethyl Sulfoxide on the Binding of 1‑Adamantane Carboxylic Acid to β- and γ‑Cyclodextrins

Biophysical Insight on the Membrane Insertion of an Arginine-Rich Cell-Penetrating Peptide

Cooperation of Conical and Polyunsaturated Lipids to Regulate Initiation and Processing of Membrane Fusion

Modeling and molecular dynamics of HPA-1a and -1b polymorphisms: effects on the structure of the β3 subunit of the αIIbβ3 integrin

Nuclear pore targeting of the yeast Pom33 nucleoporin depends on karyopherin and lipid binding

Interdigitation between Triglycerides and Lipids Modulates Surface Properties of Lipid Droplets

Correction: Modeling and Molecular Dynamics of HPA-1a and -1b Polymorphisms: Effects on the Structure of the β3 Subunit of the αIIbβ3 Integrin

Anionic lipids induce a fold-unfold transition in the membrane-translocating Engrailed homeodomain

On the Effect of the Various Assumptions and Approximations used in Molecular Simulations on the Properties of Bio‐Molecular Systems: Overview and Perspective on Issues

Reassessing the role of defensin in the innate immune response of the mosquito, Aedes aegypti

Structural Bases for the Involvement of Phosphatidylinositol-4,5-bisphosphate in the Internalization of the Cell-Penetrating Peptide Penetratin

novel lectin with a fibrinogen-like domain and its potential involvement in the innate immune response of Armigeres subalbatus against bacteria

Simulating Bilayers of Nonionic Surfactants with the GROMOS-Compatible 2016H66 Force Field

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