Citation

If you use easyPARM in your work, please cite the following publications:

Abdelazim M. A. Abdelgawwad and Antonio Francés-Monerris. easyPARM: Automated, Versatile, and Reliable Force Field Parameters for Metal-Containing Molecules with Unique Labeling of Coordinating Atoms. Journal of Chemical Theory and Computation, 2025, 21(4), 1817–1830. DOI: 10.1021/acs.jctc.4c01272

Abdelazim M. A. Abdelgawwad and Antonio Francés-Monerris. easyPARM v4.00: A Python-based tool for the automated parameterization of metalloproteins and metal–organic polyhedra with multiple metal centers. Journal of Chemical Physics, 2025, 163(22), 222501. DOI: 10.1063/5.0301038