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Lipid-Chaperone Hypothesis: A Common Molecular Mechanism of Membrane Disruption by Intrinsically Disordered Proteins
ACS chemical neuroscience, 2020-12, Vol.11 (24), p.4336-4350
2020
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The “good,” the “bad,” and the “hidden” in neutron scattering and molecular dynamics of ionic aqueous solutions
The Journal of chemical physics, 2022-05, Vol.156 (19), p.194505-194505
2022
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Sweet taste of heavy water
Communications biology, 2021-04, Vol.4 (1), p.440-440, Article 440
2021
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Effects of Water Deuteration on Thermodynamic and Structural Properties of Proteins and Biomembranes
The journal of physical chemistry. B, 2023-02, Vol.127 (5), p.1138-1143
2023
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Heavy Water Models for Classical Molecular Dynamics: Effective Inclusion of Nuclear Quantum Effects
The journal of physical chemistry. B, 2021-05, Vol.125 (17), p.4514-4519
2021
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The role of alpha-helix on the structure-targeting drug design of amyloidogenic proteins
Chemistry and physics of lipids, 2021-05, Vol.236, p.105061, Article 105061
2021
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Amyloid growth and membrane damage: Current themes and emerging perspectives from theory and experiments on Aβ and hIAPP
Biochimica et biophysica acta. Biomembranes, 2018-09, Vol.1860 (9), p.1625-1638
2018
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A unifying framework for amyloid-mediated membrane damage: The lipid-chaperone hypothesis
Biochimica et biophysica acta. Proteins and proteomics, 2022-04, Vol.1870 (4), p.140767-140767, Article 140767
2022
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Accurate Simulations of Lipid Monolayers Require a Water Model with Correct Surface Tension
Journal of chemical theory and computation, 2022-03, Vol.18 (3), p.1862-1869
2022
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Stealthy Player in Lipid Experiments? EDTA Binding to Phosphatidylcholine Membranes Probed by Simulations and Monolayer Experiments
The journal of physical chemistry. B, 2023-06, Vol.127 (24), p.5462-5469
2023
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Why do polyarginines adsorb at neutral phospholipid bilayers and polylysines do not? An insight from density functional theory calculations and molecular dynamics simulations
Physical chemistry chemical physics : PCCP, 2023-10, Vol.25 (4), p.2724-27214
2023
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Phospholipids Critical Micellar Concentrations Trigger Different Mechanisms of Intrinsically Disordered Proteins Interaction with Model Membranes
The journal of physical chemistry letters, 2018-09, Vol.9 (17), p.5125-5129
2018
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Calmodulin interactions with model lipid membranes: the interplay of Ca2+and lipid composition
Biophysical journal, 2022-02, Vol.121 (3), p.81a-81a
2022
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The “good,” the “bad,” and the “hidden” in neutron scattering and molecular dynamics of ionic aqueous solutions
The Journal of chemical physics, 2022-05, Vol.156 (19)
2022
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Prosecco: polarization reintroduced by optimal scaling of electronic continuum correction origin in MD simulations
Biophysical journal, 2022-02, Vol.121 (3), p.157a-157a
2022
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Ionic Strength and Solution Composition Dictate the Adsorption of Cell-Penetrating Peptides onto Phosphatidylcholine Membranes
Langmuir, 2022-09, Vol.38 (37), p.11284-11295
2022
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Modulating Aβ aggregation by tyrosol-based ligands: The crucial role of the catechol moiety
Biophysical chemistry, 2020-10, Vol.265, p.106434-106434, Article 106434
2020
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Detection and characterization at nM concentration of oligomers formed by hIAPP, Aβ(1-40) and their equimolar mixture using SERS and MD simulationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp08552d
2018-08
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Detection and characterization at nM concentration of oligomers formed by hIAPP, Aβ(1-40) and their equimolar mixture using SERS and MD simulations
Physical chemistry chemical physics : PCCP, 2018, Vol.20 (31), p.20588-20596
2018
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Benefits of the Electronic Continuum Correction in Bio-Force Fields
Biophysical journal, 2020-02, Vol.118 (3), p.558a-558a
2020
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Exposure to Aldehyde Cherry e‑Liquid Flavoring and Its Vaping Byproduct Disrupt Pulmonary Surfactant Biophysical Function
Environmental science & technology, 2024-01, Vol.58 (3), p.1495-1508
2024
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