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1 |
Material Type: Artigo
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Disorder at the Tips of a Disease-Relevant Aβ42 Amyloid Fibril: A Molecular Dynamics StudyIlie, Ioana M ; Caflisch, AmedeoThe journal of physical chemistry. B, 2018-12, Vol.122 (49), p.11072-11082 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Simulation Studies of Amyloidogenic Polypeptides and Their AggregatesIlie, Ioana M ; Caflisch, AmedeoChemical reviews, 2019-06, Vol.119 (12), p.6956-6993 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Unlocking novel therapies: cyclic peptide design for amyloidogenic targets through synergies of experiments, simulations, and machine learningde Raffele, Daria ; Ilie, Ioana MChemical communications (Cambridge, England), 2024-01, Vol.6 (6), p.632-645 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |
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Material Type: Artigo
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Antibody binding increases the flexibility of the prion proteinIlie, Ioana M. ; Caflisch, AmedeoBiochimica et biophysica acta. Proteins and proteomics, 2022-11, Vol.1870 (11-12), p.140827, Article 140827 [Periódico revisado por pares]Netherlands: Elsevier B.VTexto completo disponível |
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Material Type: Artigo
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Decrypting Integrins by Mixed-Solvent Molecular Dynamics SimulationsIlie, Ioana M. ; Ehrhardt, Claus ; Caflisch, Amedeo ; Weitz-Schmidt, GabrieleJournal of chemical information and modeling, 2023-06, Vol.63 (12), p.3878-3891 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
6 |
Material Type: Artigo
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Antibody binding modulates the dynamics of the membrane-bound prion proteinIlie, Ioana M. ; Bacci, Marco ; Vitalis, Andreas ; Caflisch, AmedeoBiophysical journal, 2022-07, Vol.121 (14), p.2813-2825 [Periódico revisado por pares]United States: Elsevier IncTexto completo disponível |
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Material Type: Artigo
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Interactions of Curcumin’s Degradation Products with the Aβ42 Dimer: A Computational StudyDehabadi, Maryam Haji ; Caflisch, Amedeo ; Ilie, Ioana M. ; Firouzi, RohoullahThe journal of physical chemistry. B, 2022-10, Vol.126 (39), p.7627-7637 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
8 |
Material Type: Artigo
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Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF−YDurukan, Canan ; Arbore, Federica ; Klintrot, Rasmus ; Bigiotti, Carlo ; Ilie, Ioana M. ; Vreede, Jocelyne ; Grossmann, Tom N. ; Hennig, SvenChembiochem : a European journal of chemical biology, 2024-05, Vol.25 (9), p.e202400020-n/a [Periódico revisado por pares]Germany: Wiley Subscription Services, IncTexto completo disponível |
9 |
Material Type: Artigo
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Silybins inhibit human IAPP amyloid growth and toxicity through stereospecific interactionsGarcía-Viñuales, Sara ; Ilie, Ioana M. ; Santoro, Anna Maria ; Romanucci, Valeria ; Zarrelli, Armando ; Di Fabio, Giovanni ; Caflisch, Amedeo ; Milardi, DaniloBiochimica et biophysica acta. Proteins and proteomics, 2022-05, Vol.1870 (5), p.140772-140772, Article 140772 [Periódico revisado por pares]Netherlands: Elsevier B.VTexto completo disponível |
10 |
Material Type: Artigo
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A coarse grained protein model with internal degrees of freedom. Application to α-synuclein aggregationIlie, Ioana M. ; den Otter, Wouter K. ; Briels, Wim J.The Journal of chemical physics, 2016-02, Vol.144 (8), p.085103-085103 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |