DTMol: Pocket-based Molecular Docking using Diffusion Transformers
Haotian Teng, Ran Wang, Yihang Shen, Ye Yuan, Carl Kingsford
DTMol is a diffusion model for pocket-based molecular docking that outperforms existing methods on benchmark datasets and identifies new JAK2 inhibitors.
bioRxiv · Apr 13, 2025 · PreprintBioinformatics