March 2024 Newsletter

Welcome to the March Cresset newsletter

Latest results for GPCR benchmarks using Flare™ FEP, Cresset wins Bionow Internationalisation Award, upcoming webinar discussing collaboration in drug discovery from a biotech perspective, and solutions for virtual screening enumerated libraries and combinatorial spaces.

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Latest results for three GPCR benchmarks using Flare™ FEP

Recent results using Flare FEP for binding affinity calculations in membrane proteins are promisingly accurate for such difficult systems. Flare FEP applied 'out of the box' on these challenging targets predicts binding affinities with a prediction error within 1.17- 0.66 kcal/mol and with low linkwise RMSD, demonstrating it could be used with confidence for the prioritization of new designs.

See our latest GPCR benchmark results.

Cresset wins Bionow Internationalisation Award

We are delighted and proud to have received the Bionow Award for Internationalisation at the Concorde Conference Centre on 7th March. We have been recognised for our innovative solutions supporting the life-sciences sector including our CADD software, Torx DMTA platform, and Discovery CRO expertise, along with our commitment and success in export business, supporting regions around the world.

Read more here.

DDW Webinar- Enhancing collaboration in drug discovery - a biotech perspective

Don't miss our upcoming Torx focused webinar, 'Enhancing collaboration in drug discovery - a biotech perspective' hosted by Drug Discovery World.

Dr David Hollinshead, Technical Director at Elixir Software Ltd and Torx Software and Dr Andrew Griffin, VP, Chemistry at Pretzel Therapeutics will discuss the importance of creating a solid infrastructure within any discovery project, and the benefits of Torx Software in facilitating close collaboration between teams, CROs and external partners. Register here!

Virtual screening solutions

Dramatically increase your in vitro screening hit rate, at a fraction of the cost, with diverse new structures utilizing 3D electrostatic and shape-based screening. Cresset Discovery CRO's computational scientists collaborate with your team to apply solutions powered by Cresset field technology to select new chemical matter, ensuring the best compounds are submitted for screening.

Find out more about our solutions for virtual screening Enumerated libraries and Combinatorial spaces.

Learn more.

Cresset User Group Meeting

If you haven’t yet registered, please join us in Brussels on 18th and 19th June for our annual Cresset User Group Meeting.

We will be joined by industry experts and Cresset and Torx scientists for provide updates and insights into the latest technology and science in our field.

We are delighted to be joined by industry experts from AbbVie, AC Immune, Charm Therapeutics, Evariste, Globachem, Lilly, and Open ForceField joining Cresset and Torx scientists to provide updates and insights into the latest technology and science in our field.

View more event information and register.

Catch up with our latest FEP webinar

Thank you to Scientific Computing World for hosting 'How Free Energy Perturbation can accelerate drug discovery with computational prediction of molecular binding affinities'. We were joined by Dr Sofia Bariami, Cresset and Dr Barbara Zarzycka, VU Amsterdam who discussed the benefits and challenges of FEP calculations, the assessment of project data suitability and the effect of correct preparation of the molecular system on the results of the calculations, as well as addressing the challenge of the demand of computational resources.

Request Webinar recording.

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.

Enhancing collaboration in drug-discovery - a biotech perspective
28 March 2024 | Online Webinar

Drug Discovery Chemistry
01- 04 April 2024 | San Diego, USA

Applied Pharmaceutical Chemistry 2024
04 April 2024 | Boston, USA

CDD Vault User Group Meeting
10 April 2024 | San Francisco, USA

EFMC-ACSMEDI Medicinal Chemistry Frontiers
08 - 11 April | Utrecht, The Netherlands

UK-QSAR Spring 2024 Meeting
11 April 2024 | Cambridge, UK

Bio-IT World 2024
15 - 17 April 2024 | Boston, USA

4th Swedish Medicinal Chemistry Symposium
17 - 18 April 2024 | Stockholm, Sweden

18th EFMC Short Course on Medicinal Chemistry
21 - 24 April 2024 | Oegstgeest, The Netherlands

35th Symposium on Medicinal Chemistry in Eastern England
25 April 2024 | Hatfield, UK

MassBio Align Summit
25 April 2024 | Boston, USA

12th Annual Advances in Chemical Sciences Symposium
26 April 2024 | Boston, USA

[VIEW OUR UPCOMING EVENTS SCHEDULE]