Webinar: 3decision® v2: Generate new drug design ideas and identify potential off-targets with 3decision’s Sub-Pocket Search.

As a drug designer, you are continuously asked to quickly produce new compound ideas that are synthesizable, and that makes sense for your 3D-binding site. Looking at what already binds to your therapeutic target or similar binding sites can be a tremendous source of inspiration.

Moreover, identifying potential off-targets gives you a chance to minimize risks and/or to look for new therapeutic opportunities. However, you might be interested only in designing a new fragment/scaffold for a sub-pocket of the binding site. In that situation, finding these sub-pockets, sifting through tons of 3D protein structures, and overlaying them can be extremely hard.

To speed up this ideation process, we have developed a new feature that automatizes these tasks for you. It is called the sub-pocket search and is part of our upcoming 3decision v2 release. In this webinar, we will present this new feature and show you how to use it.