Docking Results
https://doi.org/10.17044/SCILIFELAB.16438206
Results for the study "Improved protein docking by predicted interface residues". Archive contains GRAMM roto-translations of Ligands around the original position of the Receptor. Several set of docking models have been produced considering different set of protein interface constraintsto score GRAMM roto-translations. Also, AACE18 scoring function results are included. For every docking model, DockQ score has been calculated comparing with both bound and unbound native structures. Find detailed methods at https://www.biorxiv.org/content/10.1101/2021.08.25.457642v1Opens in a new tab
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Opens in a new tabhttps://doi.org/10.17044/SCILIFELAB.16438206
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Creator/Principal investigator(s):
- Gabriele Pozzati - Science for Life Laboratory
- Petras Kundrotas
- Arne Elofsson
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