@article{pregeljc_efficient_2025, title = {Efficient Multistate Free-Energy Calculations with {QM}/{MM} Accuracy Using Replica-Exchange Enveloping Distribution Sampling}, volume = {129}, rights = {https://creativecommons.org/licenses/by/4.0/}, issn = {1520-6106, 1520-5207}, url = {https://pubs.acs.org/doi/10.1021/acs.jpcb.5c02086}, doi = {10.1021/acs.jpcb.5c02086}, pages = {5948--5960}, number = {24}, journaltitle = {The Journal of Physical Chemistry B}, shortjournal = {J. Phys. Chem. B}, author = {Pregeljc, Domen and Hügli, Ramon J. R. and Riniker, Sereina}, urldate = {2025-06-19}, date = {2025-06-19}, langid = {english}, }