Boosting performance of generative diffusion model for molecular docking by training on artificial binding pockets
Taras Voitsitskyi, Volodymyr G. Bdzhola, Roman Stratiichuk, Ihor Koleiev, Zakhar Ostrovsky, Volodymyr Vozniak, Ivan Khropachov, Pavlo Henitsoi, Leonid Popryho, Roman Zhytar, Semen O. Yesylevskyy, Алан Нафієв, Sergiy A. Starosyla
This paper introduces a generative diffusion model for molecular docking trained on artificial binding pockets, showing improved performance over existing methods.
bioRxiv · Nov 22, 2023 · PreprintBioinformatics