For the SKP2-p27 interaction, Cluster 2 was identified as the most probable binding pose, exhibiting a HADDOCK score of −103.8 ± 7.8 and a highly significant Z-score of −2.0.
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Molecular dynamics simulations for understanding dual ubiquitination mechanisms to consider S-phase kinase-associated protein 2 (SKP2) as a potential drug target in breast cancer.
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