User:Mary Mendoza/Notebook/CHEM572 Exp. Biological Chemistry II/2013/01/30: Difference between revisions
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E. Docking | E. Docking | ||
[[Image:Prepwizard2.png|thumb|right|Protein Preparation Wizard_Import and Process Tab]] | |||
* Opened the protein databank (PDB) website, www.rcsb.org, and acquired two ADA Bovine structures. The two following structures were chosen by desirable resolutions: | * Opened the protein databank (PDB) website, www.rcsb.org, and acquired two ADA Bovine structures. The two following structures were chosen by desirable resolutions: | ||
**1KRM (resolution 2.5 angstroms) | **1KRM (resolution 2.5 angstroms) | ||
**2Z7G (resolution 2.52 angstroms) | **2Z7G (resolution 2.52 angstroms) | ||
* 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. | ||
* 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: |
Revision as of 13:10, 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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