DIscngine collaborated with chemists and data scientists at Bayer Crop Science to overcome the inefficiencies in Structure-Activity Relationship (SAR) report analysis and generation. The part of the new solution is available for commercial use!
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For the fourth year in a row, we have successfully organized our community event with drug discovery experts. Discover the event and access recordings.
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Discover how Discngine has transformed Bayer CropScience's data management system with Discngine Assay resulting in a significant boost in Bayer's scientific research capabilities, enabling more time for innovation and less for manual data troubleshooting.
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Digital technologies are reshaping the landscape of discovery and innovation. L’Oréal has been leading the charge in embracing digital transformation and data-driven processes. Collaborating with Discngine, they've successfully migrated multiple of their scientific software applications to the cloud, enhancing research and innovation. Join us as we hear from project leaders Ludwig Baux and Diane Genest about their journey of migrating the screening assay data management software at L’Oréal.
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See how Discngine contributed to the success of over 100 Medicinal Chemists from one of the Top 5 Pharma by building and implementing custom solution for Building Blocks data management
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Explore how to ensure assay data reliability, seamless workflows, and enhanced data-driven decision-making with robust technology. Check out our latest blog post, where we explore the five essential criteria you need for efficient management of your assay data and let us know your thoughts.
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Sanofi assesses over 1000 potentially mutagenic or genotoxic impurities per year. Until recently, these assessments used to imply a lot of manual operations from its scientists. Alexander Amberg, Head of in silico toxicology, and Alain Grelier, Digital product owner, shared how we collaborated to drastically streamline the in silico hazard assessment of these impurities.
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Here we present the experience and content of the First Discngine Labs on “Discngine Connector for LiveDesign®”. Learn about integration between LiveDesign and Spotfire, Pipeline Pilot, and KNIME with Discngine Connector, and get the feeling of what Discngine Labs events look like.
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On the 21st of October, Discngine hosted its first meetup - a 3-hour virtual event with customers and partners covering the “Digital Discovery” theme. Over 120 attendees had a great time hearing the latest scientific and business insights as well as networking.
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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.
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Discngine’s 3decision team is partnering up with Nanome to bring a new dimension to structural analysis. With 3decision in VR, users will be able to entirely exploit the structural knowledge stored in 3decision in a new and advanced way to accelerate drug-design processes.
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Manuel Cases Thomas, a Medicinal chemistry consultant and director at Senechaem was looking for a solution to help him use the full potential of data at hand and generate new design ideas. In this interview, he shares how 3decision® makes a difference in his daily work: from a scientific need to the impact on design ideas and successful project outcomes.
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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.
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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.
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The continuous increase in the available 3D structural data brings along changes in the medicinal chemistry field. Dr. George Sheppard, Senior Principal Research Scientist at AbbVie, shared his thoughts on the benefits for medicinal chemists using 3D information, current challenges and limitations, and proposed potential ways for improvement, in the following interview.
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The construction of accurate data sets prior to the in-silico experiments is a crucial first step in many SBDD projects. In our latest webinar, we explained how 3decision® can help ease and speed up this process. For better understanding, we presented three common use cases in SBDD using our platform.
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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.
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