New preprint on ABFE methodologies
Congratulations to Finlay whose collaborative work with Graeme Robb (AstraZeneca) and Daniel Cole (Newcastle) is now available as a preprint on chemrxiv.
Finlay's work ''Comparison of Receptor-Ligand Restraint Schemes for Alchemical Absolute Binding Free Energy Calculations'' reports a detailed study of restraint schemes for ABFE calculations as part of our broader efforts to streamline ABFE methodologies for routine applications in computer-aided drug design.