PandoraRLO: DQN and Graph convolution based method for optimized ligand pose
Justin Jose, Ujjaini Alam A, Divye Singh, Nidhi Jatana, Pooja Arora
PandoraRLO uses reinforcement learning to predict optimized ligand poses for protein-ligand interactions, achieving accuracy within 0.5 to 4 angstroms for many test complexes.
bioRxiv · Mar 12, 2023 · PreprintBioinformatics