Flare™ V4 release: Smarter and faster FEP calculations, new and improved force fields, improved Dynamics analysis tools
Join me in a tour of key new features of Flare V4, the latest release of our structure-based design solution, ...
Cambridge, UK – 3rd July 2014 – Cresset, innovative provider of computational chemistry software and services, announces the release of Forge V10.3. This major new release includes significant enhancements to the science, visualization, and integration of Forge, the computational workbench for ligand-based drug design, including significant enhancements to Activity Miner.
“Activity Miner has been a huge hit since its release as part of Forge last year,” says Dr Tim Cheeseright, Director of Products at Cresset. “Customers have found it invaluable for finding and understanding critical activity cliffs in the SAR landscape. In response to customer requests we have now added selectivity cliffs – the use of multiple activity parameters to look for changes that disproportionately change one activity relative to another.”
“Even though independent tests show that our performance is one of the best, we have still made improvements,” says Dr Mark Mackey, CSO at Cresset. “Forge V10.3 includes improved conformation hunt settings that give significantly fewer, lower energy conformations, enabling you to find the correct alignments even more reliably.”
Major highlights of Forge V10.3 include: