Not to completely cancel, but many of the interactions present in the bound
complex are also present in the unbound receptor and ligand. It should
differ *only* in the receptor<->ligand and non-pairwise-additive
interactions (i.e., the solvation term).
HTH,
Jason
On Wed, Nov 11, 2015 at 11:22 AM, Asma Abro 28-FBAS/MSBI/F09 <
asma.msbi28.iiu.edu.pk> wrote:
> Hi all,
>
> Is it normal if after MMPB/GBSA calculation, electrostatic energy (EEL)
> contribution is cancelled out between ligand, receptor and complex? (same
> as internal energy is cancelled)
>
> Best regards,
> Asma
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>
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Nov 11 2015 - 09:00:04 PST
