May 2024 Newsletter

Welcome to the May Cresset Newsletter

This month, we bring you details of the latest Torx® software release, as well as a sneak peak into the upcoming Flare™ V9 release. Read about the continuous advancements and strategic approaches helping to drive the adoption of FEP methods in drug discovery. And don’t miss your last chance to register for the upcoming Cresset User Group Meeting in Brussels!

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Last chance to register for our Cresset User Group Meeting

Cresset User Group MeetingJust over 2 weeks to go until the annual Cresset Meeting this 18th and 19th June for Cresset users and non-users.

We look forward to:

  • User talks highlighting the application of Cresset tools for their small molecule drug discovery
  • Networking, collaborations, one-on-one discussions
  • Insights into the Cresset roadmap and developments
  • Meet the scientists and developers, as well as industry leaders

View more event information and register.

Degrader AK-2292 with linker highlightedNew Spark™ 'Linkers' databases to address the challenge of degrader linker design

Supercharge your R&D efforts for target protein degradation (TPD) linker design with Spark™, Cresset's scaffold hopping and bioisostere replacement tool. Four new linker databases have been released for Spark, enabling access to over 9,500 linkers suitable for TPD research.

This expands the already large portfolio of databases for Spark, providing an outstanding range of millions of fragments to search, to generate novel ideas and advance your project.

Senior Product Manager, Angeles Pulido, explores how this latest update enables efficient linker design in Spark.

Read more

Torx Make bulk select pinned ticketsNew! Torx® Q1 release highlights video

With its rich 3D visualization environment, Torx enables users to collate 2D and 3D data about their molecule designs to drive decision-making. Combine capabilities and information in a variety of different views, optimized to the specific task in the DMTA cycle. The latest release brings more features including:

  • View and compare pose groups for a molecule generated from docking and alignment experiments
  • Edit DesignSets directly from within Torx Design
  • Bulk-select pinned tickets to perform quick edits in Torx Make

Read more and watch the video.

Figure 1 The Spark tab in FlareA sneak peek of Flare™ V9

The Spring release of Flare is just around the corner, with some exciting updates to streamline the effective design and optimization of small molecules.

Our Head of Products, Giovanna Tedesco, previews the new and enhanced features we can look forward to, including a full integration of Spark™, Cresset’s bioisostere replacement solution, enabling even more productivity-boosting synergy and integration between ligand-based and structure-based approaches.

Other new and enhanced science and features in the upcoming release include ensemble MM/GBSA on dynamics trajectories for binding affinity predictions, homology modeling, enhancements to Dynamics and Flare FEP calculations and much more.

Find out what’s coming soon in Flare V9.

FEP article newsletter imageOvercoming the complexity of free energy perturbation calculations

In this new article featured in Drug Target Review, Cresset’s CEO Rob Scoffin explores Free Energy Perturbation (FEP) and its current challenges and limitations. He outlines how continuous advancements and strategic approaches are helping to drive the adoption of FEP methods in drug discovery, and what lies in the future of Free Energy Perturbation.

Read the article

1600x900_Indian Conf for Academics Group PhotoNew India HQ in Bangalore

After establishing a new facility in Boston, USA this year, we’re pleased to announce a new headquarters in Bangalore, one of India’s leading centres for biotechnology and pharmaceutical research.

To mark the achievement, Cresset hosted an inaugural Conference for Academics and User Group Meeting.

Read more

Cresset announces new VP of AI

Mutlu Dogruel Cresset VP AIWe are excited to announce the appointment of Cambridge Scientist Dr. Mutlu Dogruel to the newly created position of Vice President for AI Solutions. Dr. Dogruel joins us from Microsoft, where he was responsible for empowering organisations with scalable AI solutions, NLP, computer vision, bioinformatics, data analytics as well as MLOPs best practices using cloud technology.

In this new role he will drive Cresset’s AI strategy across the CADD and workflow applications, as well as the Discovery CRO business.

Read more

New Board Appointments

We have recently announced the appointment of Dr David Newble as Group Chairman, taking over the role from Dr Robert Scoffin, who remains Cresset CEO. David will focus on the continued evolution of the company and on scaling for future international expansion, progressing Cresset's corporate structure, investor relations, and growth plans.

Additionally, Dale Curtis has been appointed Non-Executive Director, replacing David Newble. Dale is based in the USA and will focus on go-to-market strategy, complementing the Cresset commercial team and bringing his international expertise to further support Cresset’s global growth.

Learn more

External Conferences, Exhibitions & Events

Cresset are due to be attending, exhibiting, and/or presenting at the following events. Further details can be found via our upcoming events schedule.

4th Synthesis in Drug Discovery and Development
04 - 05 June 2024 | Online

RSC Organic Chemistry Community Scottish Regional Meeting 2024 - Perkin Meeting
13 June 2024 | Dundee, UK

Cresset User Group Meeting
18 June 2024 | Brussels, Belgium

38th National Medicinal Chemistry Symposium 2024
26 - 27 June 2024 | Basel, Switzerland

Future Labs Live
18 June 2024 | Brussels, Belgium

Milner Therapeutics Symposium
2 July 2024 | Cambridge, UK

RICT 2024
3 - 5 July 2024 | Bordeaux, France

ACS Fall 2024
18 - 22 August 2024 | Denver, USA


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