July 03, 2020, 12:41:28 PM
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Topic: Optimizing a ligand through docking  (Read 187 times)

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Online Babcock_Hall

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Optimizing a ligand through docking
« on: June 19, 2020, 09:09:49 AM »
We are doing some covalent docking studies.  Now that we have the results, how do we go about improving our compounds to bind more strongly?  Is it done intuitively or is there a systematic way to work?  I am a docking neophyte.

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