We sat down with Dr. Alexis Denis, Ph.D. Medicinal Chemistry Director at Galapagos to collect his thoughts on the question: Should medicinal chemists use 3D molecular modeling tools?
We were able to understand how he manages the collaboration in SBDD teams, but also to understand his vision of how these positions/roles could evolve in the future.

A few days after the release of the new TIBCO Spotfire 10.10 LTS, we are glad to announce the availability of the Discngine Connector 5.4 for Spotfire and Pipeline Pilot. This new release is fully compatible with the newest versions of Spotfire (10.10) and Pipeline Pilot (2020)

The highly requested and long-awaited interaction search is finally here! Given the great amount of structural data we have at hand, the ability to mine ligand-protein complexes based on the interactions they create was a missing piece in our analytics toolbox.

Select a couple of amino acids in the binding site of your protein and retrieve, in a matter of minutes, other structures in the database which contain a similar subpocket. Similar meaning, similar features arranged similarly in 3D space. This is what the new subpocket search feature will allow you to do in the next release of 3decision!

Last year, we set out a process to improve the user experience in 3decision. After years of gathering feedback and interviewing key users, we knew it was time to address the design and workflow flaws in the user interface. With the help of User Studio, an external UI/UX design company, we went through a deep refactoring and restyling of the front-end. The resulting work will be available in the next upcoming release of 3decision (3decision v2)!

Discngine is pleased to announce a partnership with I-Stem on the analysis of Covid-19 tests. As part of this collaborative work, Discngine supports IStem in designing the analysis of qPCR tests in Discngine Assay, identifying patients with COVID-19. We are proud to contribute to this joint effort.

With the release of version 5.3 of the Discngine Connector we introduce a new feature: “Pipeline Pilot Calculated Columns”. Based on the Pipeline Pilot Data Function extension, it makes the data retrieval and transformation of Spotfire data columns with a Pipeline Pilot protocol simpler than ever.

Discngine announces that Sosei Heptares will use its 3decision® software to create an unprecedented structural GPCR chemogenomics platform. 3decision® will enable Sosei Heptares to combine public and proprietary structural data and derive unique GPCR structural insights.

As we explained in our previous article, the number of biomolecular structures available for computational analysis is increasing daily, which, for SBDD translates to ever-greater opportunities for discovery.

But wait, is that actually true?