April 2022 newsletter

Sneak peek at Flare™ V6 for medicinal chemists The 2D Interaction map shown on the right-side nicely summarizes the complex network of ligand protein-interactions made by Compound 15 with the TRL8 target (PDB 7R53)

This sneak peek gives insight to just a few of the new features that will be accessible in the upcoming release of Flare, which enables medicinal chemists to design and prioritize new ligands for a target, with or without protein crystal structure information, in an accessible and flexible interface.

Sneak peek at Flare™ V6 for Figure4_MEP
computational chemists and power users

Computational chemists and power users, this is for you! Giovanna Tedesco explains the new functionality in the upcoming release of Flare™ V6 in this sneak peek.  

Support Vector Machine - a model for QSAR Figure 3. Visualization of the performance of SVM
still robust in the era of Deep Learning

The new QSAR framework in Flare makes generating and using 3D QSAR descriptors to build models with good predictivity and generalizability easier than ever. The tools provided give simple guidance on how best to model your data.

June 16th • Andy Vinter Memorial MeetingAVMM-22-newsletter-with-padding

Hybrid: Virtual • Cambridge, UK *limited spaces available*

Presenters will celebrate the life and work of Andy Vinter, founder of Cresset. From Andy's role in establishing the Molecular Graphics and Modelling Society (MGMS), to case studies presenting work based on the XED force field developed by Andy, and new ways of looking at molecular electrostatics.

Register for Andy Vinter Memorial Meeting


May 5th • Designs beyond similarity: Using the active site to generate new designs for your project

Learn how Spark™ is used to add R-groups to an existing ligand in a structure-based design workflow.

Register for Designs beyond similarity

May 24th • From creation to registration: Tracking a new small molecule drug through design and synthesis

Follow the discovery path of a new small molecule drug from ideation to synthesis within Torx® and learn how the platform fosters better communication.

Register for From creation to registration

Request software evaluation

Try our ligand and structure-based molecule design solutions on your project - you have freedom to publish results produces during the evaluation period and to use the results for further research.

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Outsource for fresh design ideas

Struggling with in-house comp chem resource? Our expert molecular modeling scientists can help you gain a fresh perspective, remove obstacles, or simply save time and money on your discovery project.

Request free confidential discussion

Try Cresset solutions on your project