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    DockCADD: A streamlined in silico pipeline for the identification of potent ribosomal S6 Kinase 2 (RSK2) inhibitors by El Mehdi Karim, Meriem Khedraoui, Abdelkbir Errougui, Yasir S. Raouf, Abdelouahid Samadi, Samir Chtita

    Published 2025-03-01
    “…Herein, we developed an open-source computational pipeline, identified as DockCADD (available at https://github.com/mehdikariim/DockCADD), which enables the identification of potent RSK2 inhibitors by automated virtual screening, ADME-Tox profiling, and molecular dynamics (MD) simulations. …”
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