Protein – ligand docking has remained a very well addressed problem for scientists working in the field of protein engineering. Docking involves finding the conformation of the ligand in the binding site. So far the docking algorithms involve prior knowledge of binding site.This information is not readily available always. Another major problem is the time taken by the CPU for conducting the whole molecular docking. Thus, it becomes difficult for the biologists who don’t have a computational background to conduct such a molecular simulation.
Recently, Ulzurrun E.et al.(2020) have developed a new workflow which runs under galaxy platform and makes protein-ligand docking easier and less time consuming. The software is available at the following URL:https://pistacho.ac.uma.es/galaxy-bitlab.
Reference:
Ulzurrun E.et al. (2020) PLIDflow: an open source workflow for the online analysis of protein- ligand docking using galaxy.Bioinformatics 36(14):4203-4205.