User:Mary Mendoza/Notebook/CHEM572 Exp. Biological Chemistry II/2013/01/30

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==Molecular Fingerprinting and Docking of Compounds to the ADA active site==
 
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* From the assigned computer, a new terminal was created from either of the following steps:
 
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1. Finder > Services > New terminal at folder
 
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-or-
 
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2. press the provided shortcut key F5
 
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* Then enter $maestro to open the suite.
 
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* Draw the molecule on the workspace area. Modifications can be made through the Edit panel > build > fragments > atom properties. Sponge the drawn molecule for clarity.
 
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* To save the molecule, create this entry on the project table -or- from the workspace option > project entry > name and create the project and then save.
 
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* The next step is to put the molecule under energy minimization to find a stable energetically conformation.
 
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