ADL: flexible sidechains dramatically affected my analysis times

Dennis N Bromley dbromley at uw.edu
Mon Nov 25 18:58:34 PST 2013


Hi everyone,

I understand that flexible side chains necessitate more computations.  But
my analysis time for a given ligand went from ~30 second to ~30 minutes.
 Is this normal?  I am using 15-20 flexible side chains in the pocket of a
~200 residue protein.

thanks!
-denny-


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