Tag:Flare

Cresset Flare 2024 v9.0  brings new and enhanced scientific features and methods for all users. These include Homology Modeling to create reliable 3D models for protein targets for which crystallographic information is not available, ensemble Molecular Mechanics/Generalized Born Surface Area (MM/GBSA) on dynamics trajectories for estimating binding free energy, a full integration of Spark in Flare, and enhanced protein preparation. Cresset Flare 2024 v9.0 Tested Picture In this release, we have also further expanded and enhanced the choice of visual tools to investigate the results of Flare FEP experiments and analyze dynamics trajectories, and added many new options for fine-tuning the experiments. Furthermore, the enhanced Extension Manager provides a streamlined workflow for the installation of Flare Python Extensions. Create reliable...