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)
Read MoreIf 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.
Read MoreIntroducing 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!
Read MoreThe 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.
Read MoreI 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.
Read MoreThe 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.
Read MoreThis short post shows how to quickly analyze larger collections of structures and check for common and different parts among such large sets of structures.
Read MoreGoogle-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.
Read MoreWe 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)
Read MoreThe 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.
Read MoreSelect 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!
Read MoreLast 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)!
Read MoreDiscngine 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.
Read MoreWith 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.
Read MoreDiscngine 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.
Read MoreAs 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?
Read MoreWe just released a new version of 3decision®. We've included new updates to Advanced Structural Search, Integrated Visualization & Collaboration. Check them out now!
Read MoreDiscover the challenges and opportunities in Structure-Based Drug Discovery (SBDD).
Read MoreIn Spotfire release 7.13, TIBCO added this nice feature allowing developers to control Spotfire Automation Services via a new REST API endpoint. Then in Spotfire 10.2 was introduced a new REST API endpoint to let external applications upload SBDF-formatted data to the Spotfire library. With the new release 5.2 of the Discngine Connector, both REST APIs are accessible seamlessly from within Pipeline Pilot.
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