2026-10-14 https://api.researchdata.se/oai-pmh

oai:researchdata.se:doi-10-17044-scilifelab-16438206/0 2023-05-30 subject:ssif:3 subject:ssif:10203 subject:ssif:102 subject:ssif:1 principal:slug:stockholm-university

info:eu-repo/semantics/other http://purl.org/dc/dcmitype/Dataset https://doi.org/10.17044/SCILIFELAB.16438206 Docking Results Gabriele Pozzati Petras Kundrotas Arne Elofsson Medical and Health Sciences Medicin och hälsovetenskap Bioinformatics (Computational Biology) Bioinformatik (beräkningsbiologi) 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/10.1101/2021.08.25.457642v1 https://creativecommons.org/publicdomain/zero/1.0/ Stockholm University Stockholms universitet 2021-09-14T00:00:00Z