Inspired by the success reported in my last blog post [Link] about the open source docking program rDock [http://rdock.sourceforge.net], I decided to investigate the docking accuracy performance
Cross docking test with rDock
Last time i tested the basics of the docking program rDock; Installation, basic setup and docking, as well as had a brief walkthrough about how to post-process
Test drivin' rDock
rDock is an open source docking program, trying to solve the same kind of scientific questions as Autodock Vina, which I have covered in a couple of
Machine Learning optimization of Smina cross docking accuracy
In the two previous blog posts Ligand docking with Smina and Never use re-docking for …, it was demonstrated how easy it is to dock a small ligand
Never use re-docking for estimation of docking accuracy
Re-docking of ligands found in PDB files are often used as a fast evaluation of a docking program before working with designed or other ligands. However this
Ligand docking with Smina
Moleculer Docking is a powerful technique for studying potential ligand-receptor interactions. It can be done with free tools. In this blog post I showcase the docking program