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MD simulations performed on bpDNase I.

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https://figshare.com/articles/dataset/_MD_simulations_performed_on_bpDNase_I_/488382
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The bpDNase I simulations were performed with solvent containing Na+, Na+ and Ca2+, or Na+, Ca2+ and Mg2+. The ions bound at sites I, II, III and IVa,b (Figure 1) are given for each simulation. The Cα-RMSDav values (Å) are calculated between the snapshots extracted from the last 20 ns of each trajectory and the 3DNI X-ray structure. Standard deviations of Cα-RMSDav are given in parentheses.
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2010-11-18
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