Published June 9, 2020
| Version v2
Dataset
Open
Differences in the free energies between the excited states of Abeta40 and Abeta42 monomers encode their aggregation propensities.
- 1. The University of Texas at Austin
- 2. Boston University
Description
The trajectory files (in dcd format) generated for the Abeta40 and Abeta42 monomer sequences using the SOP-IDP model. The data accompanies the publication "Differences in the free energies between the excited states of Abeta40 and Abeta42 monomers encode their aggregation propensities" (doi: https://doi.org/10.1101/2020.02.09.940676) by Debayan Chakraborty, John E. Straub and D. Thirumalai. The scripts for hierarchical clustering, and analysis of ensemble-averaged properties, described in the manuscript are also available.
Files
clustering.ipynb
Files
(443.7 MB)
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