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Ligand Field Molecular Dynamics Simulation of Pt(II)-Phenanthroline Binding to N-Terminal Fragment of Amyloid-beta Peptide [Data set]
dataset
posted on 2024-09-18, 10:27 authored by James PlattsJames Platts, Matthew TurnerMatthew Turner, Shaun MutterShaun Mutter, R Deeth DL_POLY Classic input and output files for 10 MD simulations: 5 of free peptide, 5 with Pt(phen)
DATA ARE AVALABLE FROM http://doi.org/10.5281/zenodo.1050388
Reserach results based upon these data are published at https://doi.org/10.1371/journal.pone.0193668
Funding
Computer simulation of metal-amyloid interaction and its role in plaque formation
Engineering and Physical Sciences Research Council
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