Hi all,

I submitted this afternoon a set of new systems to acemdlong with credits ranging from 40000 to 70000. This will allow to check which are the best binding candidates in a family of receptors for a given drug, and ultimately, extend the method to other families.

Thank you all for your computational time.
And have a nice weekend!!!

Noelia.

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thanks for the update,

what drug is the current "given drug"?

It is a fragment derived from digitoxine, more correctly I should have referred to it as a lead compound, rather than drug.