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Could It Be Possible To Define Hydrogen Bond With A Particular Residue In Docking??

Hello,

I was wondering that is it possible to defined hydrogen bonding of ligands with a particular residue before submitting a job in gold (in Discovery Studio Platform)? Actually, I have one ligand (juglone) and a protein. In protein there is a residue (Leucin at position 32). I would like to dock a ligand in such a way that the two oxygen atoms in a ligand can make hydrogen bonds with the hydrogen atoms in the N terminal end of the Leucine residue. So, is it possible to define previously bonding of ligands to residue in a protein??

Thanks in Advance!

Cheers!

Keshav

protein docking
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updated by Vladimir Chupakhin Vladimir Chupakhin • written by Spandankeshav Spandankeshav

1 answer

GOLD can definitely do that, read the documentation.

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written by Vladimir Chupakhin Vladimir Chupakhin

Yeah, I tried to find and I read the GOLD documentation as well but couldn't find any ideas regarding what I am looking for. That's why I posted my problem here otherwise, I wouldn't have posted here.

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written by Spandankeshav Spandankeshav

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