Data for A pocket-centric framework for selective targeting of amyloid fibril polymorphs

The present Zenodo record constitutes the dataset related to the article "A pocket-centric framework for selective targeting of amyloid fibril polymorphs". All files are available as .zip.The dataset comprises : Pocketome_RawData : All detected pockets for the selected structures in the study Pocketome_withSymmetry : Selected pockets to obtain symmetrical pocketomes Pocketome : Selected pockets for final pocketomes obtention, without symmetry Binding Pockets : .csv files with detailed results of pockets generated, 109 descriptors. TM-Align Scores : .csv files with TM-Align results for all selected structures PSI Matrices : .csv files with the whole set of PSI values calculated from "Binding Pockets" results Minimum Spanning Trees : .html files with the different pocketomes presented and discussed in the study. These interactive files enable to check over various existing options, pocket parameters and PSI values through hovering pockets and selecting pockets.