%0 Generic %A Christensen, Anders S. %A Linnet, Troels E. %A Borg, Mikael %A Boomsma, Wouter %A Lindorff-Larsen, Kresten %A Hamelryck, Thomas %A Jensen, Jan H. %D 2013 %T Data from: Protein structure validation and refinement using amide proton chemical shifts derived from quantum mechanics %U https://figshare.scilifelab.se/articles/dataset/Data_from_Protein_structure_validation_and_refinement_using_amide_proton_chemical_shifts_derived_from_quantum_mechanics/12058281 %R 10.5879/BILS/P000001 %2 https://figshare.scilifelab.se/ndownloader/files/22163712 %K Monte Carlo simulations %K protein modelling %K Biophysics %K Medical Biochemistry: Proteins and Peptides (incl. Medical Proteomics) %K Computational Chemistry %X Ensembles of protein structures resulting from Monte Carlo simulations. Each archive contains four independent simulations from the same starting structure and identical settings, but different random seeds. %I SciLifeLab