[gmx-users] growing ligands in binding pockets

jxs818 at bham.ac.uk jxs818 at bham.ac.uk
Fri Aug 22 12:45:01 CEST 2003

Hi All, 
I have an occluded ligand binding site, which is located in 
a protein model. If it is possible I would like to "grow" 
the ligand in the binding pocket so that at time 0 the 
ligand binding site is 0% occupied and at time x the ligand 
binding site is 100% occupied. It sounds like FEP (i think)
but i dont know anything about this, so I thought I had 
better check before going ahead.
As usual an help will be gratefully accepted.
Cheers in advance

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