Performing chemical modifications using the Library Enumerator in Flare™
In this article, we demonstrate how the tautomeric or protonation state of specific ligands can be altered, using the 'Library ...
This month we welcomed Jenke Scheen, a PhD student at the University of Edinburgh, to the FEP team. Jenke's placement is a CASE studentship as part of our collaboration with Julien Michel's group at the University of Edinburgh.
"After two years of academic research I'm thrilled to start my CASE placement with Cresset for the next three months. Whereas my previous work has been more theoretical (e.g., recent publication on hybridising FEP and machine learning and poster on data-driven estimation of optimal perturbation networks), this next period of work will be more hands-on to develop FEP in Flare™, Cresset's structure-based design platform. I'm excited to see what the next few months will bring."