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noelia
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Message 26403 - Posted: 20 Jul 2012 | 21:48:36 UTC

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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Tom Philippart
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Message 26406 - Posted: 21 Jul 2012 | 12:51:51 UTC

thanks for the update,

what drug is the current "given drug"?

noelia
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Message 26413 - Posted: 23 Jul 2012 | 8:40:49 UTC - in response to Message 26406.

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

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Message boards : News : Finding the best receptors