Cresset May 2022 newsletter
A roundup of computational chemistry news from Cresset in May.
Coming soon: New features in Flare™ V6
ligand-based and structure-based platform
The Flare V6 release delivers new features, including enhanced 3D graphics and:
- Pocket detection to find and characterize potential binding pockets when modeling novel targets and lead series
- User friendly interface to Quantum Mechanics calculations on ligands
- 2D ligand-protein interaction maps for a simplified visualization of 2D ligand-protein contacts
- Library Enumeration to create in-silico libraries and arrays
Request an evaluation of Flare.
Case study: Discovering a novel therapy for urinary
tract infections through outsourcing in-silico drug discovery
Serious bacterial infections represent a worldwide threat, due mainly to the emergence of antibiotic-resistant bacteria for which there are limited therapies. Research from the University of Cambridge highlighted inhibition of an E. coli enzyme as a plausible route to reduce pathogenicity and increase effectiveness in UTIs.
The importance of medicinal chemistry expertise
in outsourced discovery projects
In recent years, minimizing time-to-market has been prioritized above all else. When you choose to collaborate with Cresset Discovery, you get flexible access to a varied and experienced team, including medicinal and computational chemists, to accelerate your drug discovery projects.
Ignite™
Ignite™ is a new technology to enable rapid 3D virtual screening in combinatorial chemical spaces. The Ignite 3D descriptor uses Cresset field technology which describes a molecule through its spatial extent of electrostatics and its shape for a given conformation. Apply Ignite to your project by outsourcing to Cresset Discovery.
June 16th • Andy Vinter Memorial Meeting
Hybrid: Virtual • Cambridge, UK
Last few places available for in-person attendance to celebrate the life and work of Andy Vinter, founder of Cresset. Places are still available for virtual attendance but must be booked in advance.
Webinars
June 29th • Find new leads from peptides and natural ligands
Learn how to develop and implement an appropriate virtual screening strategy for complex target systems using Blaze™, directly, or through our comprehensive modeling platform, Flare.
July 14th • Pushing the boundaries of science and usability: New features in Flare V6
Learn about our latest developments coming in the Flare V6 release.
Register for 'new features in flare v6'
Senior Computational Chemistry Developer
Opportunity for a Senior Computational Chemistry Developer to assist in developing new scientific techniques and turning these into industry-leading easy-to-use
software products.
