Dataset 1 for: Multi-eGO: an in-silico lens to look into protein aggregation kinetics at atomic resolution

<p><strong>Dataset</strong></p> <p>Molecular dynamics simulation trajectories of TTR peptide monomers and aggregation kinetics:</p> <ul> <li>Amber99sb_disp: TTR monomer in explicit solvent using amber99disp force field.</li> <li>multi-GO-monomer: TTR monomer simulation using the multi-GO force field.</li> <li>multi-eGO-monomer: TTR monomer simulation using the multi-eGO ensemble force field.</li> <li>multi-eGO-XXmM-Y: aggregation kinetics simulations of TTR using the multi-eGO force field at XXmM concentration replicate Y.</li> <li>.ipynb files: analysis script employed for the aggregation kinetics simulations.</li> <li>TTR aggregation kinetics movies.</li> </ul>