[Dock-fans] how to analyze the result of virtual screening

Scott Brozell sbrozell at rci.rutgers.edu
Thu Sep 26 21:58:57 PDT 2013


Hi,

There are a number of analysis methods for docking output.
Some simple approaches are part of Dock itself:
http://dock.compbio.ucsf.edu/DOCK_6/dock6_manual.htm#LigandFileOutput
This tutorial shows some of the basics:
http://dock.compbio.ucsf.edu/DOCK_6/tutorials/ligand_sampling_dock/ligand_sampling_dock.html
and mentions an advanced post-Dock tool - Chimera's ViewDock:
http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/tutorials/vdtut.html

Gooogggling:
how to analyze the result of virtual screening
will find many leads.

scott

On Thu, Sep 26, 2013 at 11:02:13PM +0800, aixintiankong wrote:
> i use 1800 ligands to do virtual screening and every liangds generate 50 conformations. how do i analyze so many coformations?
> thank you


More information about the Dock-fans mailing list