EvoBind-multimer
Authors/Creators
Description
The data are compressed with zstd: https://github.com/facebook/zstd.
To uncompress do:
tar --use-compress-program full/path/to/zstd -xvf file.tar.zst
or (if you have problems):
zstd -dc DIRNAME.tar.zst | tar -xvf -
Each folder (VHL_KRAS and VHL_BRD4) contains the results summarised in csv files for the design runs and experimental validation.
The folders vhl_brd4_preds_distr.tar.zst and vhl_kras_preds.tar.zst contain the predictions (structures) from EvoBind-multimer across all explored designs.
Peptide_COAs.tar.zst - contains all HPLC purity and net peptide content analyses for the synthesised molecular glues
cross_val.tar.zst - contains all predictions for the cross validation/comparision with Alphafold-multimer, AF3 and Boltz-2
VHL_BRD4_top_sel.pse - predicted structures for top selected designs for VHL-BRD4
VHL_KRAS_top_sel.pse - predicted structures for top selected designs for VHL-KRAS
VHL_BRD4_top100.pse - predicted structures for top 100 selected designs for VHL-BRD4 in superposition
VHL_KRAS_top100.pse - predicted structures for top 100 selected designs for VHL-KRAS in superposition
Files
Files
(627.8 MB)
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