PSICHIC: physicochemical graph neural network for learning protein-ligand interaction fingerprints from sequence data

HY Koh, ATN Nguyen, S Pan, LT May, GI Webb - bioRxiv, 2023 - biorxiv.org
In drug discovery, determining the binding affinity and functional effects of small-molecule
ligands on proteins is critical. Current computational methods can predict these protein …
被引用次数：6 相关文章

PSICHIC: physicochemical graph neural network for learning protein-ligand interaction fingerprints from sequence data

HY Koh, AT Nguyen, S Pan, LT May, GI Webb - 2023 - europepmc.org
In drug discovery, determining the binding affinity and functional effects of small-molecule
ligands on proteins is critical. Current computational methods can predict these protein …