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Science Resources: Article

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Improving properties of heterobifunctional degraders via single-point changes to linkers
What are heterobifunctional degrader molecules and how do they work? Heterobifunctional degraders utilized in Targeted Protein Degradation...
Finding Spirocyclic and Strongly sp3 Cores as Scaffold and R-group Replacements
We show how Spark™ can focus searches on sp3 rich fragments to achieve compound designs with improved properties
Macrocycle inhibitor BRD-810 binding site exploration, preparation and drug design using Flare™ water analysis 3D-RISM
In this blog I will show the value of using 3D-RISM1 a Flare water analysis tool, to analyze a macrocycle inhibitor bound to the active site of human...
Aniline replacement in drug-like compounds
  Anilines, which are aromatic compounds containing an amino group, have found their way into numerous drug candidates due to their structural...
Are Free Energy Perturbation (FEP) methods suitable for your project?
  Free Energy Perturbation (FEP) methods are a fast-evolving area of drug discovery, and Cresset Discovery’s dedicated team of expert modelers...
Explore new binding opportunities with pocket detection
Pocket detection enables the exploration of the structural landscape of a target protein, uncovering potential druggable binding sites and...
Escaping fluorinated chemical space
Introduction At Cresset Discovery we endeavour to remain up to date with the changing development landscape, exploring new methods and techniques...
Leveraging protein DNA/RNA interactions in drug discovery
The field of protein DNA/RNA interactions is an expanding area of research. These interactions affect fundamental processes and as a result,...
You have a crystal structure, but what do you do with it and how do you use it?
The increasing availability of protein crystal structures continues to have a huge effect on drug discovery, improving the ability to recognize...
Flare™ V10 released: Absolute Free Energy Perturbation Calculations, Protein-Protein Docking and more enhanced features
The new Flare release brings new and enhanced scientific features both for computational and medicinal chemists. These include significantly...
Make the molecules that matter with accurate, efficient, and easy-to-run FEP calculations
  Computational chemistry is a dynamic field, characterized by an abundance of tools with new ones being added every year. Free Energy Perturbation...
Identifying and addressing variations in prediction precision within FEP using subgraph analysis
Free Energy Perturbation (FEP) calculations enable us to predict the change in the binding free energy of molecules that differ from each other...
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1600 x 900 What’s new in Flare V12 improvements to FEP Webinar
What’s new in Flare™ V12: significant enhancements to FEP and structure-based methods
Online
July 16, 2026
Find out what’s new in Flare™ V12 in our latest webinar with significant enhancements to FEP and structure-based methods
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25th EuroQSAR
Perugia, Italy
September 27, 2026
We’re exhibiting at this year’s EuroQSAR. Pass by the stand to speak to the team and learn more about how Cresset computational and AI drug discovery solutions can help you accelerate your projects.
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AI in Drug Discovery Xchange
San Francisco, USA
September 9, 2026
Cresset is sponsor of the next Ai in Drug Discovery Xchange in San Francisco. Don’t miss the chance to meet the team and attend our round table on lead generation and optimization.
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ACS Fall
Location
August 23, 2026
At ACS Fall, we’ll be sharing how advanced computational approaches are accelerating innovation in drug discovery: “Designing Better Molecules: Leveraging In Silico Tools to Drive Smarter Drug Discovery Decisions.”
Press Release Scaffold Hopping B
Cresset releases Flare V12 to cut synthesis and testing cycles with faster, more flexible FEP
Cresset releases Flare V12, a new version of its computer-aided drug design (CADD) solution for the discovery, design and optimization of small molecules. Flare V12 is focussed on improving access to Free Energy Perturbation (FEP) in drug discovery.
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EFMC-ISMC (International Symposium on Medicinal Chemistry)
Basel
September 6, 2026
Cresset is a sponsor at the upcoming EFMC-ISMC event in Basel. Come and see us at stand 10 to discuss how Cresset’s software solutions can improve your drug discovery workflows.
Publication Spotlight blog post METTL3 Inhibitor 1600 x 900 px
Cresset Discovery accelerates optimization of METTL3 inhibitor
Cresset Discovery has delivered a highly efficient digital workflow combining their molecular modeling expertise with Cresset technology to accelerate discovery, design and optimization of a METTL3 inhibitor.