Published February 17, 2022
| Version v1
Dataset
Open
Dataset 1 for: Multi-eGO: an in-silico lens to look into protein aggregation kinetics at atomic resolution
Description
Dataset
Molecular dynamics simulation trajectories of TTR peptide monomers and aggregation kinetics:
- Amber99sb_disp: TTR monomer in explicit solvent using amber99disp force field.
- multi-GO-monomer: TTR monomer simulation using the multi-GO force field.
- multi-eGO-monomer: TTR monomer simulation using the multi-eGO ensemble force field.
- multi-eGO-XXmM-Y: aggregation kinetics simulations of TTR using the multi-eGO force field at XXmM concentration replicate Y.
- .ipynb files: analysis script employed for the aggregation kinetics simulations.
- TTR aggregation kinetics movies.
Files
0_analysis_prepare.ipynb
Files
(20.6 GB)
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