Tuesday, December 18, 2012

1-Click Docking

"Docking has never been easier!"

This is the phrase we use when talking about our latest feature: 1-Click Docking. It might sound like a marketing phrase, but it's true. At least I'm not aware of any simpler solution for molecular docking. Here are my reasons:

1. It is online
Desktop applications can't be simpler by definition - think about downloading, installing, running software. 1-Click Docking is online, you go to this URL and it is immediately there, ready to use.

2. Javascript Editor
You don't need to wait for Java-based molecule sketchers to load, again you go to 1-Click Docking and ChemWriter, the Javascript editor is immediately there, so you can start drawing your ligand.

3. Select a target
We have integrated scPDB, which allows you to select a target from 10,000 target structures. No need to download, upload, select binding site, etc. (Note: upload is also possible, but requires registration)

The idea of 1-Click Docking came from our user feedback, which can be summarized with a single word: simplify! They told us that functionalities accessible under the "Screen" tab at mcule.com are really useful, but only for those who know how to use them. So to eliminate the barrier, we decided to introduce 1-Click Applications, which are extremely easy to use.

With 1-Click Docking you only need to draw a ligand, select a target and click on Dock. Then you start browsing the results. Ideal for a first insight about ligand-target interactions and affinity. In some cases that's enough to test your idea. If you need more, take the next step and learn how to use the Docking (Vina) workflow step.

Have a nice docking!

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