November 2019 newsletter
Flare V3 release features fully validated and accessible FEP calculations and new workflows We are delighted to announce the release of Flare V3 ...
Last month, Giovanna Tedesco gave a sneak peek at some of the new features in the upcoming release of Flare™ V3, our structure-based design platform. Here, Max Kuhn takes a closer look at the main concepts and the underlying software of Flare’s FEP (Free Energy Perturbation) implementation.
Spark™ is provided with reagent and fragment databases that are derived from commercially available and literature compounds. Susan Henderson was curious to see how the number of reagents changes over time, so took a look at the databases we have released over the last 18 months. See also this web clip which demonstrates how to update databases for Spark, some of which are released on a monthly basis.
Through our partnership with the Medicines Discovery Catapult we are offering a limited number of computational chemistry consultancy sessions to start-ups and small to medium sized enterprises (SMEs) and academics working on drug discovery projects.
Martin Slater reviews this meeting, which he believes is one of the best medicinal chemistry conferences to attend. Scientific content did not disappoint so he reviews just a few highlights.
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