@article{pregeljc_efficient_2025, title = {Efficient {Multistate} {Free}-{Energy} {Calculations} with {QM}/{MM} {Accuracy} {Using} {Replica}-{Exchange} {Enveloping} {Distribution} {Sampling}}, volume = {129}, copyright = {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}, language = {en}, number = {24}, urldate = {2025-06-19}, journal = {The Journal of Physical Chemistry B}, author = {Pregeljc, Domen and Hügli, Ramon J. R. and Riniker, Sereina}, month = jun, year = {2025}, pages = {5948--5960}, }