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Gary Tresadern

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Open access Jul 2026

Benchmarking Docking Protocols on Predicting Alternative Binding Modes

Assessment of pose prediction methods when the bound structure of a reference ligand is known and the likely binding mode(s) of a related compound are needed, and this work focuses on cases where the new compound has multiple potential binding modes.

Ažbeta Kubincová, S. S. Çınaroğlu, Jianna Ongsioco et al. · 0 citations