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 ...
Secure your place at Cresset’s North American and European user group meetings and workshops. Whether a customer or not we hope you will join us. Registration is free!
This month we: look at GSK’s discovery of a series of potent and selective inhibitors of PKR-like endoplasmic reticulum kinase (PERK); release a new version of Cresset’s KNIME nodes; give further details on our plan to dramatically change the landscape for field based virtual screening.
The Cresset Team
With just over three weeks to go space is filling up fast so secure your place now. Scientifc program presentations are from Cresset’s experts plus Broad Institute, Novartis, DCAM Pharma, Utica College and Drexel University. Network with Cresset users from large pharma, biotech and academia.
Free training is available at our hands-on software workshops for computational and medicinal chemists. The workshops are: “Rapidly generating new scaffolds” and “Designing imaginative and effective compounds”. Limited space is available to ensure you receive maximum benefit from these small groups, so book your place now.
Join us for an informative day and dinner as our guest at Cambridge Brewing Company. Register FREE.
Following GSK’s publication of a series of potent and selective inhibitors of PKR-like endoplasmic reticulum kinase (PERK), Cresset asks “What is a good way to triage ideas for synthesis?”. We use Torch and Spark to examine the SAR data and design new compounds. Read more …
We’re rewriting the core Blaze functionality into openCL to give you a dramatic speed increase. The changes mean that you will be able to screen a database of a few million compounds easily overnight using a single desktop box with 4 GPUs rather than requiring a Linux cluster. Alternatively, you could use a small cluster equipped with GPU coprocessors to screen virtual libraries of tens or hundreds of millions of molecules. Read more …
Scientific program includes presentations from: GSK; Merck Serono; Astex Pharmaceuticals; e-Therapeutics; Trinity College Dublin as well as Cresset’s experts.
Workshop options for CompChem and MedChem: “Using cloud based virtual screening to find new leads”; “Rapidly generating new scaffolds”; “Deciphering complex SAR” and “Designing imaginative and effective compounds”.
Join us for an informative day plus a tour of Madingley Hall and dinner as our guest. Register FREE.