help on job https://mobyle.rpbs.univ-paris-diderot.fr/data/jobs/InterEvDock2/W23421412337065.

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1

Respected sir why this docking not occurring from yesterday night i tried in InterEvDock2

Session information:

  • id: J27431825396061
  • email: None
  • activated?: False
  • authenticated?: False

Job information:

2

Thanks for your interest in InterEvDock.
The docking takes a very long time (21 hours) and further extraction of poses fails, most likely because you have a large molecule used as ligand (protein B). Could you swap protein A and protein B (insce your protein A is much smaller and since protein A remains fixed in the rigid-body docking) and try again? It should be faster and hopefully succeed. Please let us know if this is not the case.
I would also like to point out there is a newer version of InterEvDock now available: https://bioserv.rpbs.univ-paris-diderot.fr/services/InterEvDock3/
(no specific link to this issue but in case you would be interested to try it out, as it has expanded functionalities)
Best regards,
Jessica Andreani

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