The structure_file for simulating DNA and the DNase I-DNA complex as mentioned in the article; the simulation_parameters:** Access the simulation parameters (in mdp format) and bond parameters (in itp
Data for the paper "PinMyMetal: A hybrid learning system to accurately model transition metal binding sites in macromolecules" by Huihui Zhang, Juanhong Zhong, Michal Gucwa, Yishuai Zhang, Haojie Ma,
