Long time ago in a GPU far-far away, the deep learning rebels are happy. They have created new ways of working with chemistry using deep learning technology
Tag Archives: computational chemistry
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