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Johannes Krieger

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Open access Oct 2026

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

An efficient exploration strategy that integrates subpocket-guided fragment growing with template docking with structure-informed guidance can transform fragment-based design into a scalable route for discovering novel kinase inhibitors is presented.

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

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