[gmx-users] binding_affinity

Justin A. Lemkul jalemkul at vt.edu
Thu Apr 14 15:04:54 CEST 2011

shahid nayeem wrote:
> Dear All
> I have some protein complex pdb after docking two monomers. The
> scoring of these docked structure are not true representative of
> binding affinity. I want calculate the binding affinity affinity of
> these docked pdb. Can anyone suggest me, how should I proceed.
> Shahid Nayeem

Calculating a PMF is a common approach.




Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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