Dear Drug Discovery Enthusiast,

We thought this might be interesting for you:

Free Webinar: SpaceLight: Fingerprint Searches to Explore Ultra-Large Spaces

In this upcoming webinar, Louis will report on his novel and superfast searches across reaction-driven Chemical Spaces: Traditionally, molecular fingerprints like ECFP are widely used in similarity-driven virtual screening: The similarity of all compounds of a chemical library to a query compound of interest is assessed one-by-one. Since time & hardware requirements needed for this approach scale proportionally with the size of a chemical library, searching large Chemical Spaces existing today becomes impossible without investing a substantial amount of resources. With the exponential growth of today's Chemical Spaces in mind, it becomes clear that new and innovative approaches are needed…

SeeSAR 10.3 Released: Augmented Binding Site Exploration

The latest version of SeeSAR introduces many improvements for faster and even more elaborate results to support you in your drug discovery process. The search for binding pockets similar to the one of your target with the SeeSAR-implemented SIENA technology has been enhanced: Proposed structures are now displayed with their respective description for you to easily grasp the results at first sight. Additionally, optional coloring of individual structures allows easy site-to-site comparison. The discovered binding site of interest can also be exported and used as input for the HYDE command line tool. Furthermore, improvements deep down in the code let you scroll through ten thousands of ligands in a flash.

White Paper: Deep Dive into Accessible Chemical Spaces

The NIH workshop on Ultra-Large Chemistry Databases emphasized the interest and potential behind Chemical Spaces. Our most recent BioSolveIT White Paper features an update of the published Chemical Spaces, insights on fragment-based build-up, and future perspectives. Find out how you can maximize your resources and create intellectual property, also with the building blocks you may already have at hand.

Hope to (virtually) see you soon!

        Your BioSolve-rs