Welcome to the April Cresset Newsletter
Updated Spark™ databases & new agrochemical focused collection
All Cresset released fragment databases for Spark have been updated and are released alongside a new agrochemical-focused collection, ‘Agrochemical’.
The update and expansion of the Spark fragment database portfolio gives access to millions of conformationally enriched fragments, providing an outstanding range of bioisosteres to search to generate novel ideas and advance your project with Spark, Cresset’s bioisostere replacement tool.
Flare V10 webinar
Join us for the latest in our Flare™ V10 release webinar series. In this session we will look at the ability for medicinal and computational chemists to work collaboratively in order to accelerate the discovery workflow.
We will showcase a lead optimization workflow, demonstrating a process of first reviewing ideas to aid the identification of interesting molecules, followed by further investigations with methods such as Docking, QSAR modeling and a production mode run using Flare™ Free Energy Perturbation (FEP).
Register HERE to reserve your place!
Workshop – Free Energy Methods in Drug Design
We are delighted to be sponsoring and participating in the Free Energy Workshop being held at Merck Research Laboratory in Boston, MA.
This is the largest gathering of free energy innovators, and Cresset’s FEP Product Manager Dr Sofia Bariami will be on hand to discuss the latest advances in our FEP technology.
Whitepaper – Empowering medicinal chemists with AI
Did you miss our recent sponsored whitepaper “Empowering medicinal chemists with AI” in association with Fierce Biotech?
In the paper we discuss the advantages of AI, ML, and Free Energy Perturbation (FEP) and how combining them can significantly accelerate the progress of molecules from hit to lead and on to the drug candidate in silico, reducing time and spend.
Download here
Event: ACSMEDI-EFMC Medicinal Chemistry Frontiers
Come and see us at this year’s ACSMEDI-EFMC in Chicago!
? Exhibition booth #26
? Poster: Combating antibiotic resistance through ligand and structure-based virtual screening
Find out more 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.
Workshop on Free Energy Methods in Drug Design
6 – 8 May | Boston
ACSMEDI-EFMC Medicinal Chemistry Frontiers
12 – 15 May | Chicago
Innovations in Crop Protection
14 – 15 May | London
13th International Conference on Chemical Structures (ICCS)
1 – 5 June | Noordwijkerhout
4th RSC Anglo-Nordic Medicinal Chemistry Symposium
10 – 13 June | Snekkersten
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