@article{GorgullaGarzaKapiletal.2025, author = {Christoph Gorgulla and Alejandro J. Garza and Venkat Kapil and Konstantin Fackeldey}, title = {QUASAR: A Flexible QM-MM Method for Biomolecular Systems based on Restraining Spheres}, journal = {Computer Physics Communications}, doi = {10.1016/j.cpc.2025.109949}, year = {2025}, language = {en} }