[Dock-fans] Double bonds

James Foster (PG Research) j.r.foster at dundee.ac.uk
Thu Dec 15 15:52:29 PST 2016


Hello,

I've tried using rigid and flexible docking to dock a molecule containing a cis c-c double bond. After running the dock the conformation of the bond turns into trans? Please do you know of any solution to correct this?
Thanks,
Jim

The University of Dundee is a registered Scottish Charity, No: SC015096
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