Accelerating Alchemical Free Energy Prediction Using a Multistate Method: Application to Multiple Kinases

This release corresponds to a minimal set of initial conformations and input files to reproduce the results in:
J. Chem. Inf. Model. 2023, 63, 22, 7133–7147
DOI: https://pubs.acs.org/doi/full/10.1021/acs.jcim.3c01469

as well as the analysis scripts used to create the figures in this publication.