Structure Ensemble of the First Two RNA Recognition Motif Domains of a Poly(U) Binding Protein from Paramagnetic Relaxation Enhancement and Molecular Simulation Guan
Numerical data and plotting scripts for regenerating figures in the article "Geometric direct minimization for low-spin restricted open-shell Hartree–Fock". See README for more details.
In this dataset, all simulation data are listed. That includes all geometry optimizations and single-point calculations and the conformational sampling. Furthermore, the...
