Citation ==================== If you use OpenMMDL in your research, please cite the following `paper `_: .. code-block:: text @article{doi:10.1021/acs.jcim.4c02158, author = {Talagayev, Valerij and Chen, Yu and Doering, Niklas Piet and Obendorf, Leon and Denzinger, Katrin and Puls, Kristina and Lam, Kevin and Liu, Sijie and Wolf, Clemens Alexander and Noonan, Theresa and Breznik, Marko and Knaus, Petra and Wolber, Gerhard}, title = {OpenMMDL - Simplifying the Complex: Building, Simulating, and Analyzing Protein–Ligand Systems in OpenMM}, journal = {Journal of Chemical Information and Modeling}, volume = {65}, number = {4}, pages = {1967-1978}, year = {2025}, doi = {10.1021/acs.jcim.4c02158}, note ={PMID: 39933881}, URL = {https://doi.org/10.1021/acs.jcim.4c02158}, eprint = {https://doi.org/10.1021/acs.jcim.4c02158} }