Welcome to the February Cresset Newsletter
Flare V10 release & webinar series
We are delighted to announce the V10 release of Flare™, our ligand-based and structure-based design solution, bringing new and enhanced features for both computational and medicinal chemists. These include:
?Absolute FEP (Free Energy Perturbation)
?Protein-Protein docking
?Protein-Ligand Interaction Fingerprints (PLIF)
?Enhanced molecular dynamics simulations
We also invite you to join us for the first of three webinars introducing Flare V10. Here you will discover how these new features can be used to help identify interesting compounds while driving efficiencies that lead to time and cost savings.
Register here to reserve your place!
Poster: Computational drug discovery tools – an insight into the discovery process
Next week, we’ll be at the ‘Enabling Drug Discovery: Chemistry at the Crick‘ event, hosted by The Francis Crick Institute.
We’re pleased to be sponsoring, exhibiting, and presenting a poster highlighting ‘Computational Drug Discovery Tools: An Insight to the Discovery Process’.
View and download the poster here
AI in Drug Discovery
We’re delighted to be sponsoring ‘AI in Drug Discovery‘ in London. If you’re attending, stop by and meet the team at stand #4, as well as catching our VP of AI Solutions, Mutlu Dogruel present ‘AI at Cresset: Enhancing Efficiency, Empowering Decisions’ on 10th March at 13:30. We’re looking forward to sharing how to streamline your workflows and introducing you to your new AI assistant!
Register to join here
Nordic Conference on Computational Chemistry
We’re pleased to be sponsoring the Nordic Conference on Computational Chemistry in Sweden, 18th – 19th March.
If you’re attending, come and meet the team at exhibition stand #1, and view our poster, ‘An Active Learning FEP workflow to identify the most promising molecules to make and test’.
Register to join us here
New Torx® Software release
The latest Torx® release is almost here! Torx enables scientists to utilize their time more effectively by removing unnecessary admin, streamlining discovery processes, and facilitating collaboration across the DMTA process. The latest version brings enhancements including sketching multiple new compounds, and identifying near-neighbors during synthesis.
ACS Spring
We’ll be in San Diego for the ACS Spring conference, and will also be presenting ‘Application of absolute binding free energy calculations in modern scaffold hopping experiments’, on 23rd March, 3pm.
Register to join the event here
See us at upcoming conferences, exhibitions & events
Cresset are due to attend, exhibit and/or present at the following events. Further information can be found via our upcoming events schedule.
2nd Conformational Design in Drug Discovery
3rd March 2025 | Cambridge
Chemistry at the Crick
4th March 2025 | London
AI in Drug Discovery
10th March 2025 | London
2nd Nordic Conference on Computational Chemistry
18th March 2025 | Mölndal
ACS Spring
23rd March 2025 | San Diego
8th RSC-BMCS / SCI Symposium on Ion Channels as Therapeutic Targets
31st March | Cambridge
Bio-IT World
2nd April | Boston
BAGIM RDKit North American UGM / Cheminformatics Meeting
10th April | Boston
Drug Discovery Chemistry
14th April | San Diego
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