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Libraries of Small Molecules Structural Biology
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Libraries of Small Molecules Analysis

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In this Tutorial we’ll be doing a project with Libraries of Small Molecules using the T-BioInfo platform.

We’ll be running a Query on a 3d molecule using the mol3 format against PUBCHEM database.

Firstly, we’ll click the Begin button and click Save when the pop-up window appears. Clicking save will close the window and we can begin to build our pipeline.

We’ll be using DABE and then S-Screening. Once these are selected, we’ll click the End button.

Now we’re going to upload our Query Molecule which will be the Curaxin molecule today, after selecting our molecule we’ll click Start Upload. Now we can run our pipeline.

The platform will bring up your current Pipeline and show you it’s status. To check how it is doing you can either refresh the page or click the ‘My Pipelines’ link at the top of the page. There is no need to watch however, as the platform will email you when your Pipeline is complete.

I hope you found this tutorial helpful, and thank you for your time.