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Topic: Determining the active conformation of a ligand?  (Read 2425 times)

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Offline Michaelmoo

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Determining the active conformation of a ligand?
« on: September 14, 2011, 08:49:41 PM »
How do you determine the active conformation of a ligand/drug? Is it the lowest energy conformation in solution? But I've also read that this is not always the case (i.e. a conformation less stable in solution will increase stability when it binds to the receptor)

Any suggestions?
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Offline arit

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Re: Determining the active conformation of a ligand?
« Reply #1 on: September 15, 2011, 02:55:38 AM »
As far as I know, it can be done by NMR (or XRD).
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