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


Citation
Turner M, Mutter ST, Platts JA, et al. (2018). Molecular Dynamics Simulation on the Effect of Transition Metal Binding to the N-Terminal Fragment of Amyloid-β. Zenodo. http://doi.org/10.5281/zenodo.1540579



Access Rights: Data can be made freely available subject to attribution

Access Method: Click to email a request for this data to opendata@cardiff.ac.uk


Cardiff University Dataset Creators


Dataset Details

Publisher: Zenodo

Date (year) of data becoming publicly available: 2018

Data format: .pdb

DOI : 10.5281/zenodo.1540579

DOI URL: http://doi.org/10.5281/zenodo.1540579


Description

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


Keywords

Amyloid-beta, Ramachandran map, Transition metals

Research Areas

Related Projects

Last updated on 2019-25-06 at 09:47