This dataset includes computational results supporting the study of the interaction between Levodopa on Al‑doped boron nitride nanotube. The data highlight the geometry optimization, chemical reactivi
Structure Ensemble of the First Two RNA Recognition Motif Domains of a Poly(U) Binding Protein from Paramagnetic Relaxation Enhancement and Molecular Simulation Guan
The following data are included in the dataset: Cluster geometries Point charge embedding files Inputs and output files Orbital files for calculations with large active spaces Data for density differe
