BioinformaticsbioRxivPreprint
Pocket similarity guided selection of protein targets for systematic protein ligand dataset generation
montserrat Garcia-Cerqueda, Matthieu Schapira, Albert A Antolin…·Patrick Aloy
The paper selects diverse protein targets for ligand binding data generation by prioritizing pocket similarity over sequence or fold similarity, increasing coverage of the human pocketome.
DOI 10.64898/2026.11.10.765562