Manual structure-activity relationship (SAR) reporting is a time-consuming, tedious, and repetitive task. To regain time from data wrangling, Discngine has developed Ideation SAR Slides - an automated platform for SAR reporting and analysis.

Read more about it here.

With the recent release of TIBCO Spotfire 12.0 LTS, we are glad to announce the availability of the Discngine Connector 5.8 for Spotfire and Pipeline Pilot. This new release is fully compatible with all the supported LTS versions of Spotfire (10.10, 11.4 and 12.0) and Pipeline Pilot (2022)

If you are frequently using Spotfire and KNIME you might need to jump from one tool to another all the time. In this use case, we are showing how you can do it efficiently with the Discngine connector.

Introducing the Spotfire Web Application for KNIME (a.k.a. SWAK), a Discngine-built connector between two widely used tools in data analysis: KNIME and TIBCO Spotfire®.

Méliné is showing how simple it is to visualize a dataset’s chemical space by building a KNIME workflow projecting the dataset onto the chemical space, before visualizing it efficiently with TIBCO Spotfire® through the SWAK!

The purpose of this article is to illustrate how to apply some of 3decision’s features in scientific research. For this use case, the 3decision Subpocket Similarity Search is used to suggest modifications for the optimization of a small- molecule PROTAC. The Protein-Ligand interaction coloring by statistics is then used to evaluate docking poses of new compounds. The bromodomain-containing protein 4 – cereblon complex (BRD4-CBRN) and its degrader dBET23 are used as an example.

I found my way to quickly learn new software: by validating its features. In this article, I am presenting the retrospective analysis of the detection of BCR-ABL1 allosteric binding site using the 3decision Pocket Explorer feature.

The updated 3decision® version has some important new features for cross-team collaboration and structure-based drug design project management. A lot of improvements are made on the structure visualization UI as well.

This short post shows how to quickly analyze larger collections of structures and check for common and different parts among such large sets of structures.

Google-owned company DeepMind has achieved to predict 3D protein shapes with high accuracy and speed using the AI program AlphaFold. Although still in the early phase, this method can have a significant impact on drug discovery, accelerating the development of new drugs. In this article, we are discussing the importance of getting ready for the new source of structural data and how to gain the most of structural knowledge.