Binding affinity prediction Archives

Webinar

What’s new in Flare™ V12: significant enhancements to FEP and structure-based methods

Find out what’s new in Flare V12 in our latest webinar

Article

Flare™ V12 released: Significant improvements to FEP calculations and structure-based methods

We are pleased to announce the release of Flare V12, which introduces a range of new capabilities and enhancements aimed at improving the efficiency,...

Case study

A new prospective study of TYK2 with Flare FEP™

We test the predictive abilities of Free Energy Perturbation (FEP) on the TYK2 system

Webinar

Computational approaches to prioritize macrocyclic designs for synthesis

We 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 protease

Objective Cresset Discovery Services, specialists in Free Energy Perturbation (FEP) methods, carried out an FEP study on a dataset of compounds...

Binding affinity predictions

Find the molecules that matter with accurate binding affinity predictions

Article

Flare™ V11 released: Generative AI tools, constrained Protein-Protein Docking, detached calculations and many more enhanced features

We are excited to announce the latest release of Flare V11, which brings a range of new features and significant enhancements designed to make computational...