# Cresset: Make the molecules that matter

> Cresset's computational chemistry solutions help accelerate drug discovery, enabling researchers to make the molecules that matter

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## Pages
- [Why Cresset](https://cresset-group.com/about/why-cresset/): Digital Molecular Discovery Solutions
- [Global locations \& distributors](https://cresset-group.com/about/global-locations-distributors/): Cresset solutions are available through our direct territories or distribution network
- [Privacy Notice](https://cresset-group.com/privacy/)
- [Digital molecular discovery solutions](https://cresset-group.com/software/): Powered by science\. Enriched by AI\. Trusted by you\.
- [Robust science for results you can rely on](https://cresset-group.com/science/our-science/): Driving forward simulation science for molecular discovery
- [Discovery Services](https://cresset-group.com/software/discovery-services/): Your trusted partner for digital molecular discovery
- [AI technologies](https://cresset-group.com/science/ai-technologies/): Explainable AI workflows for greater insight, usability and speed
- [Responsible business](https://cresset-group.com/about/responsible-business/): Cresset is a responsible business\. We are a secure provider, trusted by our customers, from biotechs, to large pharma\.

## Posts
- [Cresset releases Flare V12 to cut synthesis and testing cycles with faster, more flexible FEP](https://cresset-group.com/news/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\.
- [Meet the new Cresset\! Designed in partnership with our customers](https://cresset-group.com/news/meet-the-new-cresset/)
- [FEP in 2025: Read our latest blog on advances in Free Energy Perturbation](https://cresset-group.com/news/fep-in-2025-read-our-latest-blog-post/)
- [Cresset Newsletter September 2025](https://cresset-group.com/news/cresset-newsletter-september-2025/)
- [Cresset Newsletter October 2025](https://cresset-group.com/news/cresset-newsletter-october-2025/)

## Applications
- [Protein analysis](https://cresset-group.com/application/protein-analysis/): Maximize the information from your crystal structure, molecular dynamics and pocket detection
- [Compound idea generation](https://cresset-group.com/application/compound-idea-generation/)
- [Virtual Screening](https://cresset-group.com/application/virtual-screening/): Find new chemical series faster and reduce the cost of wet screening
- [SAR Analysis](https://cresset-group.com/application/sar-analysis/): Summarize complex Structure\-Activity Relationship in 3D and 2D
- [Molecular Dynamics Simulations](https://cresset-group.com/application/molecular-simulation/): Study the conformational changes of proteins and assess the stability of protein\-ligand complexes

## Cresset Timeline sections
- [2009](https://cresset-group.com/cresset-timeline-sec/2009/): Bioisostere
- [2022](https://cresset-group.com/cresset-timeline-sec/ignite/): Ignite
- [2026](https://cresset-group.com/cresset-timeline-sec/2026/): Cresset
- [2025](https://cresset-group.com/cresset-timeline-sec/2025/): Ai
- [2024](https://cresset-group.com/cresset-timeline-sec/2024/): Flare

## Events
- [India User Group Meeting 2026](https://cresset-group.com/event/india-user-group-meeting-2026/)
- [BiotechX Europe 2026](https://cresset-group.com/event/biotechx-europe-2026/)
- [19th German Conference on Cheminformatics \(GCC 2026\)](https://cresset-group.com/event/19th-german-conference-on-cheminformatics-gcc-2026/)
- [25th EuroQSAR](https://cresset-group.com/event/25th-euroqsar/): 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](https://cresset-group.com/event/ai-in-drug-discovery-xchange/): 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\.

## FEP Evaluation Steps
- [What support can I expect to receive?](https://cresset-group.com/news/fep-evaluation-step/fep-evqaluation-support/): Access to a dedicated Cresset scientist throughout the evaluation
- [How does the FEP evaluation process work?](https://cresset-group.com/news/fep-evaluation-step/evaluation-process/): See the impact of FEP in just two months
- [Generate reliable predictions efficiently with Flare FEP](https://cresset-group.com/news/fep-evaluation-step/generate-reliable-predictions-efficiently-with-flare-fep/): Request an FEP evaluation
- [Insights that go beyond the calculation results](https://cresset-group.com/news/fep-evaluation-step/accelerate/): Accelerate lead optimization with confidence
- [What can I expect from an FEP evaluation with Cresset?](https://cresset-group.com/news/fep-evaluation-step/what-can-i-expect-from-fep-evaluation/): Identify where FEP will add value in a current series

## Methods
- [Combinatorial Virtual Screening](https://cresset-group.com/method/combinatorial-virtual-screening/): Fast 3D screening of ultra\-large combinatorial chemical spaces
- [Activity Miner™](https://cresset-group.com/method/activity-miner/): Find and understand activity and selectivity cliffs in your SAR
- [Water Replacement](https://cresset-group.com/method/water-replacement/): Pick up additional ligand\-protein interactions by displacing crystallographic waters
- [Scaffold Hopping](https://cresset-group.com/method/scaffold-hopping/): Find novel cores and scaffolds for your molecule discovery projects
- [R\-Group replacement](https://cresset-group.com/method/r-group-replacement/): Find novel, biologically relevant R\-Groups for your molecules

## Positions
- [Marketing Manager \(Events\)](https://cresset-group.com/news/position/new-vacancy/)

## Science Resources
- [At the heart of medicinal chemistry design: The synergistic relationship between Forge and Spark](https://cresset-group.com/science-resource/case-study/at-the-heart-of-medicinal-chemistry-design-the-synergistic-relationship-between-forge-and-spark/)
- [Using the Spark reagent databases to identify bioisosteric R\-group replacements](https://cresset-group.com/science-resource/case-study/using-the-spark-reagent-databases-to-identify-bioisosteric-r-group-replacements/)
- [Displacing crystallographic water molecules with Spark](https://cresset-group.com/science-resource/case-study/displacing-crystallographic-water-molecules-with-spark/)
- [Identifying bioisosteres of the benzazepine scaffold](https://cresset-group.com/science-resource/case-study/identifying-bioisosteres-of-the-benzazepine-scaffold/)
- [Using Spark Reagent Databases to Find the Next Move](https://cresset-group.com/science-resource/case-study/using-spark-reagent-databases-to-find-the-next-move/)

## Support Resources
- [Updating the Cresset KNIME nodes](https://cresset-group.com/support-resources/updating-the-cresset-knime-nodes/)
- [Updating the Cresset KNIME nodes \(5\.1 or earlier\)](https://cresset-group.com/support-resources/updating-the-cresset-knime-nodes-5-1-or-earlier/)
- [KNIME 3\.0\.0](https://cresset-group.com/support-resources/knime-3-0-0/)
- [Cresset Python Extensions for Flare](https://cresset-group.com/support-resources/python-extensions-for-flare/)
- [Cresset Engine Broker V3\.6](https://cresset-group.com/support-resources/cresset-engine-broker-v3-6/)

## Categories
- [News Article](https://cresset-group.com/news/category/news/)
- [Case study](https://cresset-group.com/news/category/case-study/)
- [Article](https://cresset-group.com/news/category/article/)
- [Publication](https://cresset-group.com/news/category/publication/)
- [Citation](https://cresset-group.com/news/category/citation/)

## Tags
- [Discovery Services](https://cresset-group.com/news/tag/discovery-services/)
- [Targeted Protein Degradation](https://cresset-group.com/news/tag/targeted-protein-degradation/)
- [PROTACS](https://cresset-group.com/news/tag/protacs/)
- [Degrader linkers](https://cresset-group.com/news/tag/degrader-linkers/)
- [Target Validation](https://cresset-group.com/news/tag/target-validation/)

## Applications filters
- [Compound idea generation](https://cresset-group.com/news/application-filter/compound-idea-generation/)
- [Binding affinity prediction](https://cresset-group.com/news/application-filter/binding-affinity-prediction/)
- [AI/ML](https://cresset-group.com/news/application-filter/ai-ml/)
- [SAR Analysis](https://cresset-group.com/news/application-filter/sar-analysis/)
- [Ligand Editing, Alignment and Analysis](https://cresset-group.com/news/application-filter/ligand-editing-alignment-and-analysis/)

## Discovery Phases
- [Hit Discovery](https://cresset-group.com/news/discovery-phase/hit-discovery/)
- [Target Validation](https://cresset-group.com/news/discovery-phase/target-validation/)
- [Lead Optimization](https://cresset-group.com/news/discovery-phase/lead-optimization/)
- [Hit to Lead](https://cresset-group.com/news/discovery-phase/hit-to-lead/)

## Method filters
- [Free Energy Perturbation \(FEP\)](https://cresset-group.com/news/method-filter/free-energy-perturbation-fep/)
- [Protein\-Ligand Docking](https://cresset-group.com/news/method-filter/protein-ligand-docking/)
- [QSAR Models](https://cresset-group.com/news/method-filter/qsar-models/)
- [Electrostatic Complementarity](https://cresset-group.com/news/method-filter/electrostatic-complementarity/)
- [Molecular Dynamics](https://cresset-group.com/news/method-filter/molecular-dynamics/)

## Page Templates
- [Landing page with header image](https://cresset-group.com/news/page-template/landing-page-with-header-image/)
- [Software page with header image](https://cresset-group.com/news/page-template/software-page-with-header-image/)
- [Discovery Phase Page](https://cresset-group.com/news/page-template/discovery-phase-page/)

## Solutions
- [Flare](https://cresset-group.com/news/solution/flare/)
- [Spark](https://cresset-group.com/news/solution/spark/)
- [Blaze](https://cresset-group.com/news/solution/blaze/)
- [Flare FEP](https://cresset-group.com/news/solution/flare-fep/)
- [Discovery Services](https://cresset-group.com/news/solution/discovery-services/)

## Optional
- [Sitemap index](https://cresset-group.com/sitemap_index.xml)