python with conda
A very short guide for installing python packages (pymol in this example) as a non-privileged
Molecular Modeling Lab |
In this page you can find the Enhanced Sampling of Binding and Pocket Volume and Shape (EDES) tutorial. We will exploit enhanced-sampling molecular dynamics, namely metadynamics, to improve the sampling of bound-like (holo) conformations of a generic protein starting from its unbound (apo) one. The tutorial is divided into four parts: