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correlation between collision cross-sections (ccss) obtained from all-atom and five-bead coordinates of rna and dna oligomers with different topologies. the all atom calculations employed standard parameters, whereas the five-bead calculations used the rhs2 pseudo-atom parameterization. the structures for these calculations were generated using md simulations. (selected snapshots from simulations shown above for a 32mer oligonucleotide (blue – single, red – double stranded)
