November 2018 newsletter

New free licensing options of Flare for structure-based design

We are delighted to announce the availability of two free licensing options of Flare, Cresset’s structure-based design application:

• Flare Viewer enables you to easily visualize and analyze your protein-ligand complexes using our proprietary electrostatics to design new ligands, and communicate your ideas with high quality graphics and pictures. See it in action in this short video.
• Flare for Academics, specifically designed for academic users, is a user-friendly environment where academic users can easily develop and test their ideas and methods. It extends on the functionality of Flare Viewer to provide an excellent platform for drug discovery, with a focus on ligand design and electrostatics.

Python extension enabling Jupyter Notebook integration in Flare released

Paolo Tosco describes a number of features that have been implemented into the recently released Python extension for Flare.

Which macrocycle should I try first? Picking the best linkers with Flare and Spark

See how the new Electrostatic Complementarity™ maps and scores in Flare™ are used to help the post-processing of a Spark™ macrocyclization experiment.

A measure of success: Being named on patents and references

We answer one of the most common questions asked of every contract research organization: What have you produced?’ or, in other words, ‘What evidence is there that you will provide value for our money?.

Presentations and poster from recent events

• Last month, in conjunction with Elixir Software and Optibrium, we held a series of Symposia on Streamlining Drug Discovery. We are grateful to the delegates for their participation, and to the speakers, some of whom have made their presentations available.
• Poster presented at the 14th German Conference on Chemoinformatics: Predicting Activity Using the Electrostatic Complementarity™ of Protein-Ligand Complexes.

Upcoming events

• 6 December: Trends in Medicinal Chemistry, London, UK
• 13 December: Genesis 2018, London, UK
• 20-21 June: Cresset User Group meeting 2019

See all events.