September 2021 newsletter

Completing the DMTA cycle with the release of Torx Test™ and Torx Analyze™

Our partner Torx Software is delighted to announce the release of the final modules of Torx™, your platform for your small molecule discovery chemistry:

• Torx Test connects chemists and assay scientists, enabling seamless test scheduling, management and results delivery.
• Torx Analyze enables research chemists to understand their data, record the key outcomes against the original hypothesis, and inspire the next round of design.

Optimizing the docking pathway in Spark™: Find novel results by computing ligand-protein interactions directly from the active site

If you want to grow your ligand into an unoccupied area of your target protein, but don't have a suitable guiding reference molecule, the Spark docking mode is exactly what you need. Learn more about the steps taken to optimize the docking pathway in Spark V10.6.

Installing Flare™ Python extensions on Windows 

The Flare Python API enables functionality to be extended with Python scripts. Learn how to install Flare Python Extensions on Windows in this short web clip.

Upcoming webinars • October and November

• 12^th October: Seamless assay scheduling and management with Torx Test
• 19^th October (hosted by BAGIM): Energetics of a protein disorder-order transition in small molecule binding; Free Energy Perturbation to prioritize the best molecules in early drug discovery
• 20^th or 21^st October: Streamlining collaboration and information delivery of outsourced discovery projects
• 9^th or 10^th November: Why do FEP yourself? The business case for outsourcing FEP calculations
• 16^th or 17^th November: Exploit water interactions in your ligand design: Using GIST to analyze water stability in the binding pocket

Where do you plan attending conferences in 2022?

We missed having the opportunity to meet with you over the last 18 months. If you plan on travelling to attend conferences in 2022 we welcome your response to this short survey.

Cresset Discovery Services enters collaboration with the University of Newcastle, Australia, to repurpose therapeutics against oncology targets

Cresset Discovery Services announces a collaboration with the University of Newcastle, Australia, to focus on drug reprofiling against oncology targets. The work will build on research led by award-winning molecular biologist, Associate Professor Nikola Bowden.