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Science Resources: Case study

Using Spark to Identify New Cores for PDE5 Inhibitors: Scaffold-Hopping Sildenafil
Using Spark to generate library design ideas
Deciphering complex SAR
A novel series of non-peptide small molecules for protein-protein interactions
Innovative 3D clustering method created to deliver diverse fragment libraries
BioBlocks needed to build a fragment library with maximum coverage of 3D chemical space. As part of the project, we developed an innovative clustering...
Discovering a Novel Therapy for Urinary Tract Infections Through Outsourcing In-silico Drug Discovery
Research from the University of Cambridge highlights the inhibition of an E. coli enzyme as a plausible route to reduce pathogenicity and increase...
Fast-tracking drug repurposing research with virtual screening solutions
The Australian Program for Drug Repurposing for Treatment Resistant Ovarian Cancer is a five-year program conducting research into the repositioning...
Free Energy calculations and bioisosteric replacement studies for identification of potential inhibitors of SARS-CoV-2 Mpro cystein protease
Objective Cresset Discovery Services, specialists in Free Energy Perturbation (FEP) methods, carried out an FEP study on a dataset of compounds...
Orotomides, a new class of DHODH targeting anti-fungal drugs
F2G specializes in finding new anti-infectives, especially systemic antifungal therapeutics. Cresset Discovery Services worked with F2G...
Find a chemical starting point
Many customers engage Cresset Discovery to find a chemical starting point for their project. The input could be a competitor compound, a peptide,...
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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.
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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.