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Mohammed Khaled
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Amyloid-β peptide dimers undergo a random coil to β-sheet transition in the aqueous phase but not at the neuronal membrane
H Fatafta, M Khaled, MC Owen, A Sayyed-Ahmad, B Strodel
Proceedings of the National Academy of Sciences 118 (39), e2106210118, 2021
662021
Thermodynamics and kinetics of the amyloid-β peptide revealed by Markov state models based on MD data in agreement with experiment
A Paul, S Samantray, M Anteghini, M Khaled, B Strodel
Chemical science 12 (19), 6652-6669, 2021
532021
Conformational and dynamical effects of Tyr32 phosphorylation in K-Ras: molecular dynamics simulation and Markov state models analysis
M Khaled, A Gorfe, A Sayyed-Ahmad
The Journal of Physical Chemistry B 123 (36), 7667-7675, 2019
402019
A hairpin motif in the amyloid-β peptide is important for formation of disease-related oligomers
M Khaled, I Rönnbäck, LL Ilag, A Gräslund, B Strodel, N Österlund
Journal of the American Chemical Society 145 (33), 18340-18354, 2023
172023
ATRANET–Automated generation of transition networks for the structural characterization of intrinsically disordered proteins
M Schäffler, M Khaled, B Strodel
Methods 206, 18-26, 2022
52022
Comparative molecular dynamics simulations of pathogenic and non-pathogenic huntingtin protein monomers and dimers
M Khaled, B Strodel, A Sayyed-Ahmad
Frontiers in Molecular Biosciences 10, 1143353, 2023
22023
A brief history of amyloid aggregation simulations
H Fatafta, M Khaled, B Kav, OO Olubiyi, B Strodel
Wiley Interdisciplinary Reviews: Computational Molecular Science 14 (1), e1703, 2024
2024
Amyloid Morphology is Encoded in H-bonds and Electrostatics Interactions Ruling Protein Phase Separation
SJ Lenton, H Chaaban, M Khaled, M van de Weert, B Strodel, V Fodera
bioRxiv, 2024.01. 10.574993, 2024
2024
Capturing Transient Oligomers in Peptide Aggregation
N Osterlund, M Khaled, I Ronnback, LL Ilag, A Graslund, B Strodel
PROTEIN SCIENCE 32 (12), 2023
2023
Network Models and Structural Characteristics of Oligomer Formation of Amyloid-β Peptides and Huntingtin Proteins Based on Microsecond Timescale Molecular Dynamics Simulations
MAM Khaled
Universitäts-und Landesbibliothek der Heinrich-Heine-Universität Düsseldorf, 2023
2023
INVESTIGATING CONFORMATIONAL AND DYNAMIC DIFFERENCES AMONG RAS ONCOGENIC MUTANTS THROUGH MD SIMULATIONS AND MARKOV MODELS
M Khaled
Birzeit University, Palestine, 2019
2019
Netzwerkmodelle und strukturelle Merkmale der Oligomerbildung von Amyloid-β-Peptiden und Huntingtin-Proteinen auf der Grundlage von Molekulardynamiksimulationen im …
MAM Khaled
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