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Bernd Kuhn

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Open access Jul 2026

Predicting Ligand Binding Modes by Scaffold-Guided Structure Refinement

Scaffold-Guided Structure Refinement is presented, leveraging information on known binders within ligand series targeting a specific protein, based on the observation that shared molecular scaffolds among binders exhibit conserved binding modes.

J. Pletzer-Zelgert, Matthias Rarey, Bernd Kuhn · 0 citations