March 2022 newsletter
A roundup of computational chemistry news from Cresset in March.
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.
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.
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.
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.
Learn how Spark™ is used to add R-groups to an existing ligand in a structure-based design workflow.
Follow the discovery path of a new small molecule drug from ideation to synthesis within Torx® and learn how the platform fosters better communication.
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.
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.