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Titlebook: Computer Simulations of Aggregation of Proteins and Peptides; Mai Suan Li,Andrzej Kloczkowski,Maksim Kouza Book 2022 Springer Science+Busi

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https://doi.org/10.1007/978-3-031-24012-6he rational manipulation of oligomer formation. Additionally, big data and machine learning methods may provide valuable insights to better understand the nature of proteins involved in PD and their aggregative behavior for the betterment of PD treatment.
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https://doi.org/10.1007/978-1-4684-0360-2alent ions acting as bridges between macromolecules. Many of these dots involve structurally disordered peptides and disordered regions of proteins. A broad perspective of the role of multivalent ions in assisting the assembly process, shifting population in polymorphic states, and sealing protein aggregates, is suggested.
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The Cell-Kill Paradigm: Bleak Outcomesdue (UNRES) force field developed in our laboratory to study protein aggregation, in both free simulations and simulations of aggregation propagation from an existing template (seed), and illustrate it with the examples of Aβ-peptide aggregation and Aβ-peptide-assisted aggregation of the peptides derived from the repeat domains of tau (TauRD).
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The Cell-Kill Paradigm: Bleak Outcomess. These packages include density functional theory, Car–Parrinello molecular dynamics simulations, temperature-dependent replica exchange molecular dynamics simulations, disorder predictors based on bioinformatics, and neural network deep learning.
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