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Ioana M. Ilie
Title
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Cited by
Year
Simulation studies of amyloidogenic polypeptides and their aggregates
IM Ilie, A Caflisch
Chemical reviews 119 (12), 6956-6993, 2019
1512019
An elementary singularity-free rotational Brownian dynamics algorithm for anisotropic particles
IM Ilie, WJ Briels, WK den Otter
The Journal of chemical physics 142 (11), 2015
382015
A coarse grained protein model with internal degrees of freedom. Application to α-synuclein aggregation
IM Ilie, WK den Otter, WJ Briels
The Journal of chemical physics 144 (8), 2016
372016
Disorder at the tips of a disease-relevant Aβ42 amyloid fibril: A molecular dynamics study
IM Ilie, A Caflisch
The Journal of Physical Chemistry B 122 (49), 11072-11082, 2018
242018
Intrinsic conformational preferences and interactions in α-synuclein fibrils: insights from molecular dynamics simulations
IM Ilie, D Nayar, WK Den Otter, NFA Van Der Vegt, WJ Briels
Journal of chemical theory and computation 14 (6), 3298-3310, 2018
242018
Thermostable designed ankyrin repeat proteins (DARPins) as building blocks for innovative drugs
J Schilling, C Jost, IM Ilie, J Schnabl, O Buechi, RS Eapen, R Truffer, ...
Journal of Biological Chemistry 298 (1), 2022
232022
Rotational Brownian dynamics simulations of clathrin cage formation
IM Ilie, WK den Otter, WJ Briels
The Journal of chemical physics 141 (6), 2014
202014
Silybins inhibit human IAPP amyloid growth and toxicity through stereospecific interactions
S García-Viñuales, IM Ilie, AM Santoro, V Romanucci, A Zarrelli, ...
Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1870 (5), 140772, 2022
162022
Flanking sequence preference modulates de novo DNA methylation in the mouse genome
I Mallona, IM Ilie, ID Karemaker, S Butz, M Manzo, A Caflisch, T Baubec
Nucleic acids research 49 (1), 145-157, 2021
162021
The attachment of α-synuclein to a fiber: A coarse-grain approach
IM Ilie, WK den Otter, WJ Briels
The Journal of chemical physics 146 (11), 2017
152017
The role of the N-terminal amphipathic helix in bacterial YidC: Insights from functional studies, the crystal structure and molecular dynamics simulations
KJ Nass, IM Ilie, MJ Saller, AJM Driessen, A Caflisch, RA Kammerer, X Li
Biochimica et Biophysica Acta (BBA)-Biomembranes 1864 (3), 183825, 2022
92022
Interactions of Curcumin’s Degradation Products with the Aβ42 Dimer: A Computational Study
MH Dehabadi, A Caflisch, IM Ilie, R Firouzi
The Journal of Physical Chemistry B 126 (39), 7627-7637, 2022
42022
Decrypting Integrins by Mixed-Solvent Molecular Dynamics Simulations
IM Ilie, C Ehrhardt, A Caflisch, G Weitz-Schmidt
Journal of Chemical Information and Modeling 63 (12), 3878-3891, 2023
32023
Antibody binding modulates the dynamics of the membrane-bound prion protein
IM Ilie, M Bacci, A Vitalis, A Caflisch
Biophysical Journal 121 (14), 2813-2825, 2022
32022
Unlocking novel therapies: cyclic peptide design for amyloidogenic targets through synergies of experiments, simulations, and machine learning
D de Raffele, IM Ilie
Chemical Communications 60 (6), 632-645, 2024
22024
Antibody binding increases the flexibility of the prion protein
IM Ilie, A Caflisch
Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1870 (11-12), 140827, 2022
22022
Binding dynamics of a stapled peptide targeting the transcription factor NF‐Y
C Durukan, F Arbore, R Klintrot, C Bigiotti, IM Ilie, J Vreede, ...
ChemBioChem, e202400020, 2024
2024
Elucidating the role of water in collagen self-assembly by isotopically modulating collagen hydration
G Giubertoni, L Feng, K Klein, G Giannetti, L Rutten, Y Choi, ...
Proceedings of the National Academy of Sciences 121 (11), e2313162121, 2024
2024
Physical Mechanisms of Protofilament Formation
I Ilie
Bulletin of the American Physical Society, 2024
2024
Computational cyclic peptide design against prion-induced toxicity
I Ilie
Bulletin of the American Physical Society, 2024
2024
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Articles 1–20