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.

Gabriella outlined in previous posts (part I & part II) a few things about SARS-Cov-2. Back at the time the crisis was still far away from our daily lives but things have changed dramatically during the last weeks. After our initial communication to make 3decision.discngine.cloud freely available for all Covid-19 related collaboration projects we were contacted independently by several volunteers from academic and industrial groups to collaborate on a global effort. At the mean time a lot of novel initiatives have seen the day and everybody is publishing blog posts (like I am right now), linkedIn articles, chemarxiv or bioarxiv preprints etc. It’s a little bit a scientific wild-west happening right now on a global scale.

At Discngine we are trying to provide the best services for our customers. In the pharmaceutical domain, we are led to help them to construct machine learning models for properties and biological activities prediction. Lately, we also tried various deep learning methods when it was possible...

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?