3DProtDTA: the deep learning model for drug-target affinity prediction based on the residue-level protein graphs
T. Voitsitskyi, R. Stratiichuk, I. Koleiev, L. Popryho, Z. Ostrovsky, P. Henitsoi, I. Khropachev, V. Vozniak, R. Zhytar, D. Nechepurenko, S. Yesylevskyy, A. Nafiev, S. Starosyla
This paper introduces 3DProtDTA, a deep learning model for drug-target affinity prediction using residue-level protein graphs and AlphaFold structures, showing superior performance on benchmark datasets.
bioRxiv · Nov 24, 2022 · PreprintPharmacology & Toxicology