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Flare™
Agile ligand-based and structure-based drug design solution
Spark™
Scaffold hopping and R-group replacement to generate innovative ideas for your discovery projects
Server
Blaze™
Ligand-based virtual screening to dramatically increase your screening hit rate at a fraction of the cost
Cloud
Torx®
Make better design decisions and track compound synthesis from start to finish with ease
Science
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Science overview
Robust science for results you can rely on
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See users' published work
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The Scientific Advisory Board provides guidance to the Cresset science team in their research
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Citing Cresset applications
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Discovery
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Discovery overview
Make the molecules that matter
Why Cresset Discovery?
As your computational chemistry CRO, we bring a unique perspective to help you advance your discovery project performance
Discovery capabilities
Examples of the consultancy provided to advance your project
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Overview
Bridge resource gaps
Broaden and protect your IP position
Find a chemical starting point
Reposition existing drugs
Manage your procurement process
Develop bespoke software
Innovative 3D clustering method created to deliver diverse fragment libraries
Define the bioactive conformation
Run virtual screens
Modeling structures of novel biological targets
Conduct ligand-protein docking
Deducing ligand-protein interactions
Identify new chemical series
Grow and link fragments
Analyze SAR and property data
Streamline optimization
Create and analyze 3D-QSAR
Novel patentable chemistry
Move from hit to lead
Reduce risk and increase value in your life science investments
Identify and avoid problematic active sites
Helping to understand protein conformations with molecular dynamics
Identifying allosteric pockets
The business case for outsourcing FEP calculations
Protein preparation
Orotomides, a new class of DHODH targeting anti-fungal drugs
Novel seed treatment discovered and patented
Discovering a Novel Therapy for Urinary Tract Infections Through Outsourcing In-silico Drug Discovery
Identifying promising inhibitors against epilepsy using virtual screening
Grant applications
Free confidential discussion
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Cresset Discovery case studies
Case studies we have permission to publish
Discovery webinar recordings
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About
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About Cresset
Your scientific partner for molecule design
Testimonials
See what our customers say about our software and services
News
Computational chemistry news and blog, including newsletters and press releases
Board and Management
Meet our leadership team
Partners
We partner with third parties to deliver fully integrated solutions
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Careers
Join our dedicated team of like-minded scientists
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Open positions
Join our dedicated team of like-minded scientists
Corporate Social Responsibility
Helping Cressets help others, protecting the environment, excellent service and employee engagement
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Global distribution network
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Home
Software
Back
Software
desktop
Flare™
Spark™
Server
Blaze™
Cloud
Torx®
Science
Back
Science
Science overview
Citations
Resources
Scientific Advisory Board
Support
Back
Support
Support resources
Product releases
Installation
Tips and tricks
Citing Cresset applications
Software webinar recordings
Discovery
Back
Discovery
Discovery overview
Why Cresset Discovery?
Discovery capabilities
Back
Discovery capabilities
Bridge resource gaps
Broaden and protect your IP position
Find a chemical starting point
Reposition existing drugs
Manage your procurement process
Develop bespoke software
Innovative 3D clustering method created to deliver diverse fragment libraries
Define the bioactive conformation
Run virtual screens
Modeling structures of novel biological targets
Conduct ligand-protein docking
Deducing ligand-protein interactions
Identify new chemical series
Grow and link fragments
Analyze SAR and property data
Streamline optimization
Create and analyze 3D-QSAR
Novel patentable chemistry
Move from hit to lead
Reduce risk and increase value in your life science investments
Identify and avoid problematic active sites
Helping to understand protein conformations with molecular dynamics
Identifying allosteric pockets
The business case for outsourcing FEP calculations
Protein preparation
Orotomides, a new class of DHODH targeting anti-fungal drugs
Novel seed treatment discovered and patented
Discovering a Novel Therapy for Urinary Tract Infections Through Outsourcing In-silico Drug Discovery
Identifying promising inhibitors against epilepsy using virtual screening
Grant applications
Free confidential discussion
Cresset Discovery case studies
Discovery webinar recordings
About
Back
About
About Cresset
Testimonials
News
Board and Management
Partners
Events
Contact
Careers
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Careers
Open positions
Corporate Social Responsibility
Distributors
Cresset
Support
Support resources
Support resources
Carrying out a conformation hunt and ligand alignment in Flare™
Learn how to align a set of ligands to an active reference molecule.
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