ADL: disulfur bridge
forli at scripps.edu
Mon Jun 15 11:23:55 PDT 2015
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
See this discussion in the forum for more details:
To prepare your input structures, you can use the script prepare_flexreceptor4.py.
Hope this helps,
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.
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Stefano Forli, PhD
Molecular Graphics Laboratory
Dept. of Integrative Structural
and Computational Biology, MB-112F
The Scripps Research Institute
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email: forli at scripps.edu
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