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        <parTitl xml:lang="en">Data and most relevant results for the FoldDock project</parTitl>
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    <citation>
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        <parTitl xml:lang="en">Data and most relevant results for the FoldDock project</parTitl>
        <IDNo agency="SND">doi-10-17044-scilifelab-16866202-0</IDNo>
        <IDNo agency="DOI">https://doi.org/10.17044/SCILIFELAB.16866202</IDNo>
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        <AuthEnty xml:lang="en" affiliation="Science for Life Laboratory">Bryant, Patrick</AuthEnty>
        <AuthEnty xml:lang="en" affiliation="Science for Life Laboratory">Pozzati, Gabriele</AuthEnty>
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      <abstract xml:lang="en" contentType="abstract">Data and main results for the study "Improved prediction of protein-protein interactions using AlphaFold2 and extended multiple-sequence alignments."
Contained datasets consist of:1 - 219 heterodimers from dockground benchmark 4 dataset 2 - 1503 heterodimeric structures from a recent study (Green,  A. G. et al. Nat. Commun. 12, 1–12 (2021))3 - 7 heterodimeric complexes from CASP144 - 8 novel heterodimeric complexes deposited in the PDB database after 15 June 2021
For each one of the mentioned datasets it can be found in this repository:- concatenated protein sequences in FASTA format;- 3D structure atomic coordinates in PDB format;
- csv files summarizing chain IDs, chain lengths and other dataset parameters;- msas for pair of sequences, required to run AlphaFold2

For dataset 1 and 2, AlphaFold2 output docking results for 5 identical runs are provided as well, together with a csv summarizing dockq scores and different model quality metrics.</abstract>
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