BiophysicsbioRxiv
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, B. Strodel
This study uses 30-microsecond MD simulations with seven force fields to analyze the thermodynamics and kinetics of Aβ40, identifying suitable force fields and equilibrium times.
DOI 10.1039/d0sc04657d