Molecular Dynamics Simulation on the Effect of Transition Metal Binding to the N-Terminal Fragment of Amyloid-β

Molecular dynamics simulations of three possible adducts of Fe(II) to the N-terminal 1–16 fragments of the amyloid-b peptide, along with analogous simulations of Cu(II) and Zn(II) adducts.

Data comprise molecular dynamics trajectories in PDB format for 3x Cu-Aβ, 3x Zn-Aβ and 9x Fe-Aβ simulations.

Research results based upon these data are published at https://doi.org/10.1080/07391102.2018.1555490

Data area available at http://doi.org/10.5281/zenodo.1540579