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Binding and dimerization of PGLa peptides in anionic lipid bilayer studied by replica exchange molecular dynamics

Scientific reports, 2024-02, Vol.14 (1), p.4972-4972, Article 4972

2024

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Molecular Dynamics Investigation of the Ternary Bilayer Formed by Saturated Phosphotidylcholine, Sphingomyelin, and Cholesterol

The journal of physical chemistry. B, 2018-12, Vol.122 (49), p.11311-11325

2018

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Calcium Enhances Binding of Aβ Monomer to DMPC Lipid Bilayer

Biophysical journal, 2015-04, Vol.108 (7), p.1807-1818

2015

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Binding of Cytotoxic Aβ25–35 Peptide to the Dimyristoylphosphatidylcholine Lipid Bilayer

Journal of chemical information and modeling, 2018-05, Vol.58 (5), p.1053-1065

2018

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Molecular Interactions of Alzheimer's Biomarker FDDNP with Aβ Peptide

Biophysical journal, 2012-12, Vol.103 (11), p.2341-2351

2012

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Do Cholesterol and Sphingomyelin Change the Mechanism of Aβ25–35 Peptide Binding to Zwitterionic Bilayer?

Journal of chemical information and modeling, 2019-12, Vol.59 (12), p.5207-5217

2019

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Is the Conformational Ensemble of Alzheimer's Aβ10-40 Peptide Force Field Dependent?

PLoS computational biology, 2017-01, Vol.13 (1), p.e1005314-e1005314

2017

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Data Mining of Molecular Simulations Suggest Key Amino Acid Residues for Aggregation, Signaling and Drug Action

Biomolecules (Basel, Switzerland), 2021-10, Vol.11 (10), p.1541

2021

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De Novo Transmembrane Aggregation of Aβ10–40 Peptides in an Anionic Lipid Bilayer

Journal of chemical information and modeling, 2022-12, Vol.62 (23), p.6228-6241

2022

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Binding of Inhibitors to Nuclear Localization Signal Peptide from Venezuelan Equine Encephalitis Virus Capsid Protein Explored with All-Atom Replica Exchange Molecular Dynamics

ACS omega, 2024-09, Vol.9 (38), p.40259-40268

2024

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Cholesterol Changes the Mechanisms of Aβ Peptide Binding to the DMPC Bilayer

Journal of chemical information and modeling, 2017-10, Vol.57 (10), p.2554-2565

2017

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Replica Exchange with Hybrid Tempering Efficiently Samples PGLa Peptide Binding to Anionic Bilayer

Journal of chemical theory and computation, 2023-09, Vol.19 (18), p.6532-6550

2023

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Naproxen Interferes with the Assembly of A β Oligomers Implicated in Alzheimer's Disease

Biophysical journal, 2011-04, Vol.100 (8), p.2024-2032

2011

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Alzheimer's A beta 10-40 Peptide Binds and Penetrates DMPC Bilayer: An Isobaric-Isothermal Replica Exchange Molecular Dynamics Study

The journal of physical chemistry. B, 2014-03, Vol.118 (10), p.2638-2648-2638-2648

2014

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Mechanisms of Binding of Antimicrobial Peptide PGLa to DMPC/DMPG Membrane

Journal of chemical information and modeling, 2022-03, Vol.62 (6), p.1525-1537

2022

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Does Replica Exchange with Solute Tempering Efficiently Sample Aβ Peptide Conformational Ensembles?

Journal of chemical theory and computation, 2016-10, Vol.12 (10), p.5201-5214

2016

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De novo aggregation of Alzheimer’s Aβ25-35 peptides in a lipid bilayer

Scientific reports, 2019-05, Vol.9 (1), p.7161-7161, Article 7161

2019

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Three Popular Force Fields Predict Consensus Mechanism of Amyloid β Peptide Binding to the Dimyristoylgylcerophosphocholine Bilayer

Journal of chemical information and modeling, 2020-04, Vol.60 (4), p.2282-2293

2020

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Symmetric Connectivity of Secondary Structure Elements Enhances the Diversity of Folding Pathways

Journal of molecular biology, 2005-11, Vol.353 (5), p.1171-1186

2005

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Replica Exchange Simulations of the Thermodynamics of A β Fibril Growth

Biophysical journal, 2009-01, Vol.96 (2), p.442-452

2009

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The Alzheimer's disease Aβ peptide binds to the anionic DMPS lipid bilayer

Biochimica et biophysica acta, 2016-06, Vol.1858 (6), p.1118-1128

2016

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Alzheimer’s Aβ10–40 Peptide Binds and Penetrates DMPC Bilayer: An Isobaric–Isothermal Replica Exchange Molecular Dynamics Study

The journal of physical chemistry. B, 2014-03, Vol.118 (10), p.2638-2648

2014

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Predicting Genetic Variation Severity Using Machine Learning to Interpret Molecular Simulations

Biophysical journal, 2021-01, Vol.120 (2), p.189-204

2021

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Binding of Aβ peptide creates lipid density depression in DMPC bilayer

Biochimica et biophysica acta, 2014-10, Vol.1838 (10), p.2678-2688

2014

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Methionine Oxidation Changes the Mechanism of Aβ Peptide Binding to the DMPC Bilayer

Scientific reports, 2019-04, Vol.9 (1), p.5947-5947, Article 5947

2019

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Binding and dimerization of PGLa peptides in anionic lipid bilayer studied by replica exchange molecular dynamics

Molecular Dynamics Investigation of the Ternary Bilayer Formed by Saturated Phosphotidylcholine, Sphingomyelin, and Cholesterol

Calcium Enhances Binding of Aβ Monomer to DMPC Lipid Bilayer

Binding of Cytotoxic Aβ25–35 Peptide to the Dimyristoylphosphatidylcholine Lipid Bilayer

Molecular Interactions of Alzheimer's Biomarker FDDNP with Aβ Peptide

Do Cholesterol and Sphingomyelin Change the Mechanism of Aβ25–35 Peptide Binding to Zwitterionic Bilayer?

Is the Conformational Ensemble of Alzheimer's Aβ10-40 Peptide Force Field Dependent?

Data Mining of Molecular Simulations Suggest Key Amino Acid Residues for Aggregation, Signaling and Drug Action

De Novo Transmembrane Aggregation of Aβ10–40 Peptides in an Anionic Lipid Bilayer

Binding of Inhibitors to Nuclear Localization Signal Peptide from Venezuelan Equine Encephalitis Virus Capsid Protein Explored with All-Atom Replica Exchange Molecular Dynamics

Cholesterol Changes the Mechanisms of Aβ Peptide Binding to the DMPC Bilayer

Replica Exchange with Hybrid Tempering Efficiently Samples PGLa Peptide Binding to Anionic Bilayer

Naproxen Interferes with the Assembly of A β Oligomers Implicated in Alzheimer's Disease

Alzheimer's A beta 10-40 Peptide Binds and Penetrates DMPC Bilayer: An Isobaric-Isothermal Replica Exchange Molecular Dynamics Study

Mechanisms of Binding of Antimicrobial Peptide PGLa to DMPC/DMPG Membrane

Does Replica Exchange with Solute Tempering Efficiently Sample Aβ Peptide Conformational Ensembles?

De novo aggregation of Alzheimer’s Aβ25-35 peptides in a lipid bilayer

Three Popular Force Fields Predict Consensus Mechanism of Amyloid β Peptide Binding to the Dimyristoylgylcerophosphocholine Bilayer

Symmetric Connectivity of Secondary Structure Elements Enhances the Diversity of Folding Pathways

Replica Exchange Simulations of the Thermodynamics of A β Fibril Growth

The Alzheimer's disease Aβ peptide binds to the anionic DMPS lipid bilayer

Alzheimer’s Aβ10–40 Peptide Binds and Penetrates DMPC Bilayer: An Isobaric–Isothermal Replica Exchange Molecular Dynamics Study

Predicting Genetic Variation Severity Using Machine Learning to Interpret Molecular Simulations

Binding of Aβ peptide creates lipid density depression in DMPC bilayer

Methionine Oxidation Changes the Mechanism of Aβ Peptide Binding to the DMPC Bilayer

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