[gmx-users] How to fit ligand in specific site in protein in simulation

Андрей Гончар gontchar at gmail.com
Thu Apr 12 10:34:03 CEST 2012

I think you have to use some special programm for this purpose.
AutoDock, for example, will be the right choice.

2012/4/12 sai nitin <sainitin7 at gmail.com>:
> Hi all,
> I am working on protein - ligand molecular dynamics simulation using
> gromacs. I have a protein in which i know binding site which is composed of
> 5 residues and i have one ligand i have to place this in binding site.
> Can any body tell me how to do place this ligand to binding site
> Thanks in advance
> Cheers
> --
> Sainitin D
> --
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Андрей Гончар

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