User:Mary Mendoza/Notebook/CHEM572 Exp. Biological Chemistry II/2013/01/30: Difference between revisions
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* The pdb.txt of these structures were downloaded. | * The pdb.txt of these structures were downloaded. | ||
* On Maestro, opened the aspirin.prj and imported the downloaded structures of ADA. | * On Maestro, opened the aspirin.prj and imported the downloaded structures of ADA. | ||
[[Image:Prepwizard2.png|thumb|right|Protein Preparation Wizard]] | |||
* The structures of ADA were protonated according to the pH of 7.4. This was executed from: | * The structures of ADA were protonated according to the pH of 7.4. This was executed from: | ||
** Workflows > Protein preparation > add H<sup>+</sup> (see image on the side of the protein preparation wizard dialog box) | ** Workflows > Protein preparation > add H<sup>+</sup> (see image on the side of the protein preparation wizard dialog box) | ||
** Uncheck the delete waters on the dialog box and click preprocess. | ** Uncheck the delete waters on the dialog box and click preprocess. | ||
Revision as of 12:01, 6 February 2013
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Molecular Fingerprinting and Docking of Compounds to the ADA active siteA. Opening Maestro
1. Finder > Services > New terminal at folder -or- 2. press the provided shortcut key F5
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