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The Impact of Natural Compounds on S-Shaped Aβ42 Fibril: From Molecular Docking to Biophysical Characterization.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 6, p. 2017, doi. 10.3390/ijms21062017
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- Article
Protein Environment: A Crucial Triggering Factor in Josephin Domain Aggregation: The Role of 2,2,2-Trifluoroethanol.
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- International Journal of Molecular Sciences, 2018, v. 19, n. 8, p. 2151, doi. 10.3390/ijms19082151
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- Article
Conformational Dynamics and Stability of U-Shaped and S-Shaped Amyloid β Assemblies.
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- International Journal of Molecular Sciences, 2018, v. 19, n. 2, p. 571, doi. 10.3390/ijms19020571
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- Article
Investigation of the Josephin Domain Protein-Protein Interaction by Molecular Dynamics.
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- PLoS ONE, 2014, v. 9, n. 9, p. 1, doi. 10.1371/journal.pone.0108677
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Conformational fluctuations of the AXH monomer of Ataxin-1.
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- Proteins, 2016, v. 84, n. 1, p. 52, doi. 10.1002/prot.24954
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- Article
Cover Image, Volume 84, Issue 5.
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- Proteins, 2016, v. 84, n. 5, p. C1, doi. 10.1002/prot.25037
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Characterization of the AXH domain of Ataxin-1 using enhanced sampling and functional mode analysis.
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- Proteins, 2016, v. 84, n. 5, p. 666, doi. 10.1002/prot.25017
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- Article
A survey on computational taste predictors.
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- European Food Research & Technology, 2022, v. 248, n. 9, p. 2215, doi. 10.1007/s00217-022-04044-5
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Genetic, cellular, and structural characterization of the membrane potential- dependent cell- penetrating peptide translocation pore.
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- eLife, 2021, p. 1, doi. 10.7554/eLife.69832
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- Article
Josephin Domain Structural Conformations Explored by Metadynamics in Essential Coordinates.
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- PLoS Computational Biology, 2016, v. 12, n. 1, p. 1, doi. 10.1371/journal.pcbi.1004699
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Extended diffusion theory: Recovering dynamics from biased/accelerated molecular simulations.
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- Journal of Computational Chemistry, 2021, v. 42, n. 9, p. 586, doi. 10.1002/jcc.26474
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The synergistic effect of chlorotoxin-mApoE in boosting drug-loaded liposomes across the BBB.
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- Journal of Nanobiotechnology, 2019, v. 17, n. 1, p. 1, doi. 10.1186/s12951-019-0546-3
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- Article
Characterization of the Interaction of Polymeric Micelles with siRNA: A Combined Experimental and Molecular Dynamics Study.
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- Polymers (20734360), 2022, v. 14, n. 20, p. 4409, doi. 10.3390/polym14204409
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- Article
The Extent of Human Apolipoprotein A-I Lipidation Strongly Affects the β-Amyloid Efflux Across the Blood-Brain Barrier in vitro.
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- Frontiers in Neuroscience, 2019, p. N.PAG, doi. 10.3389/fnins.2019.00419
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Thermodynamic and kinetic stability of the Josephin Domain closed arrangement: evidences from replica exchange molecular dynamics.
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- Biology Direct, 2017, v. 12, p. 1, doi. 10.1186/s13062-016-0173-y
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Insights into the Effect of the G245S Single Point Mutation on the Structure of p53 and the Binding of the Protein to DNA.
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- Molecules, 2017, v. 22, n. 8, p. 1358, doi. 10.3390/molecules22081358
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- Article
Predicting multiple taste sensations with a multiobjective machine learning method.
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- NPJ Science of Food, 2024, v. 8, n. 1, p. 1, doi. 10.1038/s41538-024-00287-6
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VirtuousPocketome: a computational tool for screening protein–ligand complexes to identify similar binding sites.
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- Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-56893-7
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- Article
Multivalent interacting glycodendrimer to prevent amyloid-peptide fibril formation induced by Cu(II): A multidisciplinary approach.
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- Nano Research, 2018, v. 11, n. 3, p. 1204, doi. 10.1007/s12274-017-1734-9
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- Article
In silico investigation of cytochrome bc1 molecular inhibition mechanism against Trypanosoma cruzi.
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- PLoS Neglected Tropical Diseases, 2023, v. 16, n. 1, p. 1, doi. 10.1371/journal.pntd.0010545
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Free energy landscape of siRNA-polycation complexation: Elucidating the effect of molecular geometry, polymer flexibility, and charge neutralization.
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- PLoS ONE, 2017, v. 12, n. 11, p. 1, doi. 10.1371/journal.pone.0186816
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