May 2020 newsletter
Flare™ V4 release: Smarter and faster FEP calculations, new and improved force fields, improved Dynamics analysis tools Join Giovanna Tedesco, ...
In this case study, Giovanna Tedesco describes how a robust 3D-QSAR (Quantitative Structure Activity Relationship) model was built for a data set of 73 dipeptidyl peptidase IV (DPP-4, a serine protease) inhibitors using Forge, Cresset’s powerful ligand-focused workbench for understanding SAR and design. Ad hoc Forge 3D display capabilities were used to visualize and interpret the model. Read case study.
Mark Mackey, Cresset’s CSO, looks at 3D-QSAR in Cresset’s software. He shares his experience on the best way to do it and, more importantly, what not to do. Read article.
Our user group meetings are free to attend and open to customers and non-customers.
June 3 | Cambridge, MA, US
June 18-19 | Cambridge, UK