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,
Structure Ensemble of the First Two RNA Recognition Motif Domains of a Poly(U) Binding Protein from Paramagnetic Relaxation Enhancement and Molecular Simulation Guan
