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Siddesh Southekal

Siddesh Southekal. Installation:  download maestro http://www.schrodinger.com/downloadcenter/ Install For enabling license: Go to Help Configure Licensing From the "Add Licenses" drop down, choose "I can identify my license server Enter "cbsb.unmc.edu" in the Host name text box.

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Siddesh Southekal

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  1. Siddesh Southekal

  2. Installation:  • download maestro http://www.schrodinger.com/downloadcenter/ • Install • For enabling license: • Go to Help • Configure Licensing • From the "Add Licenses" drop down, • choose "I can identify my license server • Enter "cbsb.unmc.edu" in the Host name text box. •  Enter "27008" in the Port text box and hit Save Server. • To use on cbsb: Type “maestro”

  3. De novo design • Virtual screening • Rank order compounds • Structure refinement and preparation • Biologics modelling

  4. Interface Layout All entries in the project Entries currently in the workspace

  5. Maestro Training Material: • https://www.schrodinger.com/training/maestro11/home

  6. Example • Workspace and visualization • 1FJS • https://www.youtube.com/watch?v=NyeJsKzzxak • Preparing Membrane protein for MD simulation • 2QDZ • https://www.youtube.com/watch?v=tqt4xk_yBGs&t=128s https://www.rcsb.org/structure/1FJS

  7. Useful Links: • Maestro Training Material: https://www.schrodinger.com/training/maestro11/home • Scrodinger YouTube : https://www.youtube.com/channel/UCSNlsDtHbpoYl4iMThSrQaw • Protein Data Bank : https://www.rcsb.org/

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