Dataset 1 for: Multi-eGO: an in-silico lens to look into protein aggregation kinetics at atomic resolution
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下载链接：
https://zenodo.org/record/6125994
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资源简介：
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.
创建时间：
2022-02-24
