Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction'

Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction' containing files to (re-)execute GROMACS simulations performed during the mutation study. This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files are provided for the simulations discussed in the paper. Due to the high number of files, the study is provided as a .zip-file. Please check the README.