[AMBER] Doubt about ligand binding in proteins

From: Gustavo Avelar Molina <gustavoavelarmolina.usp.br>
Date: Sun, 24 May 2015 01:05:28 +0000

Hi everyone,

I've been asking myself whether it is appropriate to place a ligand in a
protein (be it through covalent bonding or not) after its minimization or
equilibration. Or is it more appropriate to do the modification just by
using the original protein PDB as the atomic coordinates source? I'm
assuming here that there are no experimental data about the atomic
coordinates of the bound protein.

I would be grateful if someone could explain it me.


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Received on Sat May 23 2015 - 18:30:02 PDT
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