Protein-Ligand Binding Site Prediction and De Novo Ligand Generation from Cryo-EM Maps
Chunyang Lu, Kaustav Mitra, Kiran Mitra, Hanze Meng, Shane T. Rich-New, Fengbin Wang, Dong Si
The paper develops a system for predicting protein-ligand binding sites from Cryo-EM maps and generates drug-like ligands using a combination of PLBP methods and a de novo structure modeling tool.
bioRxiv · Nov 16, 2023 · PreprintBioinformatics