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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

W. Diederich

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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
Aug 2026

A Time-Resolved FRET Activity Assay to Distinguish Enzymatic Inhibition from PROTAC-Mediated Degradation of SARS-CoV-2 Mpro.

Proteolysis-targeting chimeras (PROTACs) are emerging as a promising strategy for antiviral drug development and are mechanistically distinct from classical small-molecule inhibitors. Many PROTAC designs targeting viral proteases, such as the SARS-CoV-2 main protease (Mpro), employ warheads derived from active-site inh...

C. Veeck, Luna C. Schmacke, Jasmin Jekkel et al. · 0 citations

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