ADL: How to know flexible residues in flexible docking

Lenin Domínguez acheron24 at hotmail.com
Sat Nov 19 12:39:44 PST 2011


I have check the papers recommended for the topic of flexible receptors. They do address the question but the implementation is in commercial software not AD. However, at least one of then points to a accessible to do it: 

Check if there homologous or ligand-bound structures of your receptor of interest. Then take note of the residues that vary position. Also check B factors or different occupancies. 

>From there, it is up to you. You could start by making residues with few rotamers flexible and evaluate the results.

Let us know what you decide and how it worked for you.


On Nov 17, 2011, at 12:00, autodock-request at scripps.edu wrote:

> Re: ADL: How to know flexible residues in flexible docking



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