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Science Resources: Poster

Prioritization of new molecule designs using QSAR models 2D- and 3D-QSAR studies on SARS-CoV-2 Mpro inhibitors
Calculating binding free energies for G protein-coupled receptors (GPCRs) accurately capturing lipid exposed binding interactions in P2Y1
Rapid approaches to new scaffold generation accelerate hit-to-lead
Free Energy calculations and bioisosteric replacement studies for the identification of potential inhibitors of SARS-Cov-2 Mpro cystein protease
Applying Flare FEP to accurately capture ligand binding affinities for G protein-coupled receptors (GPCRs)
Efficient in silico design and evaluation of new linkers in heterobifunctional degraders
Applying Molecular Simulations to Qualitatively Rank Degrader Designs
An Active Learning FEP workflow to identify the most promising molecules to make and test
New modalities for 3D virtual screening of ultra-large chemical spaces
Active learning FEP using 3D-QSAR for prioritizing bioisosteres in medicinal chemistry
Bespoke In Silico Inotropy Prediction
Combating antibiotic resistance through ligand- and structure-based virtual screening
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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.
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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.