August 2021 newsletter
A roundup of this month's computational chemistry news from Cresset.
Free Energy Perturbation (FEP) calculations can have the reputation to be expensive in terms of both user and total computational time. Flare FEP significantly lowers this barrier as very accurate FEP results are found quickly and easily.
Learn how to easily view and analyze results from Flare FEP experiments in this short web clip.
Martin Slater, Director of Consulting Services, explains how he and his experienced team of CADD scientists use in silico techniques to help pharmaceutical, agrochemical, flavor and fragrance companies advance their projects from target ID and validation to lead optimization.
OncoArendi Therapeutics has licensed Flare for use in its internal development research programs. The software will be used to better understand the relationships between chemical structure and observed biological activity.
Learn how Flare can be used to build quantitative regression and classification models of SAR. We will demonstrate how to: