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.

Discngine is excited to announce a partnership with LabVoice. The partnership will focus on supporting the presence of voice assistants built for the laboratory and continue a shared vision of creating a more efficient, more compliant, and safer lab through the power of voice.

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.

My German cartesian mind (here we go with stereotypes) asks me to start with the first protein expressed by the viral genome of SARS-Cov-2, nsp1. That is, by far, not the low hanging fruit. But it is interesting to learn more about the roles of the different constituents of the virus. Nsp1 actually has also a few very interesting roles to facilitate the viral lifecycle in its host environment.

The bread and butter of every structure based drug design or drug ID effort is the need for 3D structural information of a target of interest related to the phenotypic outcome we want to alter. In the case of SARS-Cov-2 several experimental structures are already available in the RCSB PDB. Other a large scale fragment screens from the Diamond Light Source are slowly becoming available (available in the 3decision protease project for now) on public resources likes the RCSB PDB. Popular homology modelling services also already started to provide several high quality models for some of the yet not resolved structures of the viral proteome.

But let’s first have a look what the viral genome actually contains and what are currently pursued efforts.