ADL: disulfur bridge

Stefano Forli forli at scripps.edu
Mon Jun 15 11:23:55 PDT 2015


Hi,
if I got your question right, covalent docking is what would work best for you.
Basically, you perform a "tethered" docking with your peptide already bound to the target 
protein.

See this discussion in the forum for more details:
http://mgl.scripps.edu/forum/viewtopic.php?f=12&t=750

To prepare your input structures, you can use the script prepare_flexreceptor4.py.

Hope this helps,

S



On 06/15/2015 05:20 AM, Francesca Spyrakis wrote:
> Dear users?
> I am trying to dock a peptide at a protein-protein interface. This peptide is known to be involved in a disulfur bridge with the protein. Is it possible in Vina to fix this restrain a priori?
> Many thanks to all.
> Bests
> Francesca
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-- 
  Stefano Forli, PhD

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