FrustraPocket: A protein-ligand binding site predictor using energetic local frustration
María Inés Freiberger, Camila Mara Clemente, Eneko Valero, J Pombo, César O. Leonetti, Soledad Ravetti, R. Gonzalo Parra, Diego Ulises Ferreiro
FrustraPocket identifies protein-ligand binding sites from unbound protein structures by detecting regions of local energetic frustration.
bioRxiv · Dec 11, 2022 · PreprintBioinformatics