Introduction:Docking methods are extensively used to understand the interactions between receptor and ligand molecules.The study of these interactions facilitate the process of drug discovery. Several docking methods are available for the prediction of protein-protein, nucleic acid-ligand and protein-ligand interactions. In this study, we evaluated the performance of protein docking software on peptide-ligand complexes. In order to facilitate the scientific community, we developed PLDbench for evaluating peptide-ligand docking poses. It has three major modules.
- Single docking pose evaluation: This module allow users to evaluate the performance of a docking pose corresponding to any peptide-ligand complex used in this study.
- Benchmarking of a docking software : User may evaluate their docking software on 57 peptide-ligand complexes used in this study. This is useful for understanding quality of newly developed docking software.
- Compare two docking poses: This module is developed for comparing two docking pose or quality of docking if user provides original and docked pose.