January 2024 Newsletter

Welcome to the January Cresset Newsletter

Access exciting new science, enhanced features and visual analysis tools in latest release of Cresset’s CADD workbench, Flare V8. Discover what's new in Flare, along with this month's latest news and expert scientific opinion.

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Flare™ V8 released

Version 8 of Flare brings new and enhanced scientific features and methods, including the new Molecular Mechanics/Generalized Born Surface Area (MM/GBSA) method for calculating the binding free energy of ligand-protein complexes, a significant expansion of Flare FEP domain of applicability, new and enhanced features for protein and homology modeling, and highly visual tools for detailed analysis. 

Discover what's new for ligand-based and structure-based drug designers in Flare V8 in this article by Giovanna Tedesco, Head of Products, and for a walk-through of all the exciting new science and features, don't miss our upcoming webinar - see details below!

Aniline replacement in drug-like compounds

Anilines have been utilized in drug discovery for their ability to interact with biological targets and modulate physiological processes. However, while versatile, their inclusion is not without its limitations and challenges.

We describe a research workflow for exploring alternatives to anilines and their replacement with other chemical groups, offering a powerful strategy for optimizing drug properties.

Cresset User Group Meeting

We are very excited to invite you to attend the annual Cresset® User Group Meeting taking place on Tuesday 18th and Wednesday 19th June 2024.

We're delighted to welcome both Cresset and Torx® software users and non-users once again, to hear Cresset scientists and leading researchers in our field present around the latest science and technology.

View more event information and register

Flare V8: What's new in Cresset’s molecular modeling software?

Flare V8 is available now!

Join us in this webinar for an overview of the exciting new science and features in this release.

We will also show you some of new features of the interface which make Flare easier and more efficient to use.

View details and register

Covalent docking in Torx® Design

Torx Design includes covalent docking as a standard feature. Simply upload your target protein, select the nucleophilic residue and you'll be ready to begin experiments. Once complete, you can compare compound docking results directly in the Torx interface in conjunction with physico-chemical properties and other key data points. Flare™ users can connect seamlessly for further interpretation using the dedicated Torx tab and API. Learn more.

Future-proofing Cybersecurity in Drug Discovery

The pharmaceutical and biotech sectors suffer more data security breaches than any other industry, with 53% resulting from malicious activity. To protect against potential cyber attacks, organizations must implement an effective strategy that allows for proactive detection and rapid response.

Rob Scoffin, CEO and Iain Ronayne, Head of IT discuss strategies for assuring and future-proofing data security for safe and efficient drug discovery.

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 Alpine Winter Conference on Medicinal and Synthetic Chemistry
28 January 2024 - 01 February 2024 | St Anton, Austria

SLAS 2024 International Conference and Exhibition
03 February - 07 February 2024 | Boston, USA

Launch of Cresset's New US Division
07 February | Boston, USA

9th Fragment-based Drug Discovery Meeting
03 March - 05 March 2024 | Cambridge, UK

BMCS Conformational Design in Drug Discovery 2024
07 March 2024 | Stevenage, UK

[VIEW OUR UPCOMING EVENTS SCHEDULE]