DISCNGINE BLOG
Insights on drug discovery trends, events, product updates, use cases, tech workflows, customer stories, and life at Discngine.
Categories
What are the common directions shaping modern antibody discovery? – Reflections from antibody events
Our Biologics Solution Lead, Méliné Simsir, has compiled insights from four recent antibody conferences she has attended, bringing together perspectives from experts across the community.
Designing with novelty: why considering Structure-Activity Relationship alongside patent disclosures matters
During lead optimization, SAR analysis drives compound design, while patent data provides context on prior art. These perspectives are often reviewed separately, making early decisions harder. This article looks at how bringing them together in a single workflow with tools such as Discngine Ideation Analytics, reduces rework and guides more confident design choices.
Efficient Structure-Activity Relationship (SAR) Reporting and Exploration in Drug Discovery: Discover Discngine Ideation Analytics
Manual structure-activity relationship (SAR) reporting is a time-consuming, tedious, and repetitive task.
To regain time from data wrangling, Discngine has developed Ideation Analytics- an automated platform for SAR reporting and analysis.
A new release (5.8) of the Spotfire Connector for Pipeline Pilot is available
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)
Flag aggregator compounds during HTS Triage – Enhanced visualization with TIBCO Spotfire® Connector for KNIME
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.
Visualize your chemical space by connecting KNIME and TIBCO Spotfire®: Introduction to the SWAK
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!
Structure-based lead optimization of a PROTAC small-molecule in the BRD4-CRBN complex
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.
Starting with 3decision®: Allosteric pocket detection in BCR-ABL1 kinase
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.
What's new in 3decision® 2021.1?
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.