Effects of Force Fields on the Conformational and Dynamic Properties of Amyloid β(1-40) Dimer Explored by Replica Exchange Molecular Dynamics Simulations
C. R. Watts, A. Gregory, C. Frisbie, S. Lovas
This study compares force fields for simulating Aβ(1-40) dimers using MD simulations, finding that most overestimate helical content and underestimate β-sheet content compared to experimental data.
bioRxiv · Oct 27, 2017Biophysics