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CADD software
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desktop
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
Torx DMTA
Discovery CRO
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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 specialist modelers running your 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
Cresset Discovery case studies
Case studies we have permission to publish
Discovery webinar recordings
Request webinars to watch
User
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Overview
Computational chemists
Results you can rely on
Medicinal chemists
Make better design decisions
Biologists
We help you remove obstacles
Academics
Solutions for teaching and research
Science
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Overview
Science overview
Robust science for results you can rely on
Citations
See users' published work
Resources
Case studies, presentations, posters, publications
Scientific Advisory Board
The Scientific Advisory Board provides guidance to the Cresset science team in their research
Support
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Support resources
Installation guides, product releases, tips and tricks
Product releases
Release notes
Installation
Installing desktop applications
Tips and tricks
Videos and step-by-step instructions
Citing Cresset applications
Software webinar recordings
Request webinars to watch
About
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Overview
About Cresset
Helping you win the race to scientific success
Testimonials
See what our customers say about our software and services
News
Computational chemistry news and blog, including newsletters and press releases
Board
Board of Directors
Partners
We partner with third parties to deliver fully integrated solutions
Events
Meet us at upcoming events
Careers
Join our dedicated team of like-minded scientists
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Overview
Open positions
Join our dedicated team of like-minded scientists
Philanthropy and Corporate Social Responsibility
Helping Cressets help others, protecting the environment, excellent service and employee engagement
Distributors
Global distribution network
Contact us
Request a CADD Software evaluation, Torx DMTA demo or Discovery CRO discussion
Location
Cresset locations
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Home
CADD software
Back
CADD software
desktop
Flare™
Spark™
Server
Blaze™
Torx DMTA
Discovery CRO
Back
Discovery CRO
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 specialist modelers running your 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
Cresset Discovery case studies
Discovery webinar recordings
User
Back
User
Computational chemists
Medicinal chemists
Biologists
Academics
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
About
Back
About
About Cresset
Testimonials
News
Board
Partners
Events
Careers
Back
Careers
Open positions
Philanthropy and Corporate Social Responsibility
Distributors
Contact us
Location
Cresset
Support
Support resources
Support resources
Generating a subset of molecules using filters
Try Cresset solutions on your project
Request a software evaluation