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Michael Daude

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Open access Oct 2026

Subpocket-Aware Fragment-Based Docking Pipeline for Kinase Ligand Design: Methodology and a PKA Case Study

Protein kinases regulate signal transduction through phosphorylation, and their dysregulation drives diseases like cancer, autoimmune disorders, and Alzheimer’s, making them key drug targets. Fragment-based drug design offers a powerful route to kinase inhibitors but often neglects kinase-specific structural insights....

Katharina Buchthal, Paula Linh Kramer, Dominik Hubach et al. · 0 citations

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