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Science Resources: Article

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Enhance novel molecule design using real-time Torsion Analysis in Flare™
  One of the many new features in Flare™ V6 is Torsion Analysis, which enables visual identification of problematic torsions on the fly. Torsion...
Flare™ V11 released: Generative AI tools, constrained Protein-Protein Docking, detached calculations and many more enhanced features
We are excited to announce the latest release of Flare V11, which brings a range of new features and significant enhancements designed to make computational...
Flare™ V12 released: Significant improvements to FEP calculations and structure-based methods
We are pleased to announce the release of Flare V12, which introduces a range of new capabilities and enhancements aimed at improving the efficiency,...
Driving Optimization of Antibiotic Drug Design
Since its heyday in the 1950s, the discovery of new classes of antibiotics has decreased, dropping to zero in the 1990s and not recovering since...
Running multiple experiments in parallel for a more efficient CADD workflow
For any computational chemist, the ability to run several different calculations in parallel can significantly increase the efficiency of their...
Identify novel compounds and increase the diversity of your ligand modifications using fragment-based drug discovery
Introduction Fragment-based drug discovery (FBDD) is well-established as an effective method for advancing innovative drug design and has...
What does scaffold hopping mean to you?
We explore the different meanings of scaffold hopping in drug discovery
Orientate your proteins on ligand superimposition using the Flare™ Python API
The importance of protein and ligand orientation during 3D visualization The orientation of protein structures is a simple yet essential manipulation...
Identify trends and patterns in high-ranking molecular scaffolds using clustering algorithms in Spark™
Spark is a well-established software solution for computational bioisosteric replacement. In fact, our customers tell us it’s the best scaffold...
Identify the most active chemical structures with key desired properties through R-group decomposition and analysis
  Drug discovery research often involves making small modifications to a compound and studying the subsequent effect on activity. Once...
Gain insights into membrane protein complexes using Molecular Dynamics simulations in Flare™
  Running Molecular Dynamics (MD) calculations with membrane proteins is one of the new features recently introduced within Flare. Not...
Custom force fields for Molecular Dynamics
  Accurate force fields are essential to reliably predict the thermodynamic properties of small molecules. However, general transferable...
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News & Events

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
25th EuroQSAR 1600 x 900px
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.
AI in Drug Discovery Xchange - San Francisco 2026 1600 x 900px
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.
ACS Fall August 2026 1600 x 900px
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.
EFMC Medicinal Chemistry Symposium 1600 x 900px
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.