Article

Thermodynamics and kinetics of the amyloid-β peptide revealed by Markov state models based on MD data in agreement with experiment

2020-07-29

Abstract excerpt

The amlyoid-β peptide (Aβ) is closely linked to the development of Alzheimer’s disease. Molecular dynamics (MD) simulations have become an indispensable tool for studying the behavior of this peptide at the (sub)molecular level, thereby providing insight into the molecular basis of Alzheimer’s disease. General key aspects of MD simulations are the force field used for modeling the peptide or protein and its enviro...

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Literature Corpus work: 26fc5933-bb2d-5ca6-b7e1-176f2a4fc148
DOI: 10.1101/2020.07.27.223487

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