TY - JOUR U1 - Zeitschriftenartikel, wissenschaftlich - begutachtet (reviewed) A1 - Strickstrock, Robin A1 - Hülsmann, Marco A1 - Reith, Dirk A1 - Kirschner, Karl N. T1 - Optimizing Lennard-Jones parameters by coupling single molecule and ensemble target data JF - Computer Physics Communications SN - 0010-4655 SS - 0010-4655 U6 - https://doi.org/10.1016/j.cpc.2022.108285 DO - https://doi.org/10.1016/j.cpc.2022.108285 VL - 274 PB - Elsevier CY - Amsterdam ER -