For ∆A I E M →solid ., the original work used Thermodynamic Integration (TI) . Here, we replaced TI with MBAR as our analysis method of choice. Generally, the literature shows that TI performs as well as more efficient methods like BAR and MBAR when the integrand is smooth , but it is sensitive to the choice and number of intermediate states . MBAR is the most consistently well-performing free energy estimator and exploits the overlap between states more thoroughly than its predecessor, the Bennett Acceptance Ratio (BAR) estimator . Here, we chose to compare performance of MBAR and TI for calculation of ∆A I E M →solid for ASA and α-methanol; we also applied EXP as a comparison in the latter case only.