Author

Jaqueline A. Martinez

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Open access Jul 2026

Prioritizing neuroactive ligands using motif-guided virtual discovery and zebrafish profiling

Rosetta Engine for Anchoring Ligands with a Motif is introduced, a screening algorithm that uses structural interaction data from the Protein Data Bank to guide ligand placement and selection and is readily adaptable to the thousands of zebrafish proteins with highly conserved binding pockets.

Ari B. Ginsparg, Jaqueline A. Martinez, Ishaan Patel et al. · npj Drug Discovery · 0 citations