Module 5. hpRS

hpRS employs RTMScore for highly precise re-scoring of protein-ligand complex.

Job Name
Email Address
Input Receptor *
Inference Ligand *
Docked Ligand Poses *
Example Files:     Receptor      RefLigand      Ligand Poses      Example
For more details, please infer to our paper:
  • Chao Shen, Xujun Zhang, Yafeng Deng, et al. Boosting Protein-Ligand Binding Pose Prediction and Virtual Screening Based on Residue-Atom Distance Likelihood Potential and Graph Transformer. Journal of Medicinal Chemistry, 2022, 65(15), 10691-10706. [HTML]
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    Notice
    Preprocessing Recommended
    Note: Preprocessing prepares proteins (adding hydrogens, optimizing H-bonds, etc.) and standardizes ligand libraries. These steps can significantly improve accuracy. If you choose to skip preprocessing, result quality may be reduced.