Webinar What’s new in Flare™ V12: significant enhancements to FEP and structure-based methodsFind out what’s new in Flare V12 in our latest webinar
Webinar Computational approaches to prioritize macrocyclic designs for synthesisWe present a digital workflow that can be used to prioritize challenging ligands for synthesis
Case study Free Energy calculations and bioisosteric replacement studies for identification of potential inhibitors of SARS-CoV-2 Mpro cystein proteaseObjective Cresset Discovery Services, specialists in Free Energy Perturbation (FEP) methods, carried out an FEP study on a dataset of compounds...
