ADL: Flexible backbone docking

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ADL: Flexible backbone docking

Stephen Boulton
Hey, during the .pdbqt set up for flexible side chain docking I have seen
the option to allow flexibility to the amides.  I was wondering if anyone
has tried this and how well did it work.  I was also interested in how much
flexibility to the backbone it permits and how much resources it takes on
your computer.

Also, I had an unrelated question.  If I have some experimental data to
narrow down the binding site around a few residues, is it possible to set
up restrictions more specific than the grid box to keep the ligand around
those residues?



--
Stephen Boulton
Ph.D. candidate
Department of Biochemistry and Biomedical Sciences
McMaster University
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