Dans…Orozco {Nucleic Acids Res 44: 4052}

Long-timescale dynamics of the Drew-Dickerson dodecamer. Nucleic Acids Res. 2016 May 19;44(9):4052-66.
From LEFT to RIGHT: 3D representation of the famous Drew-Dickerson Dodecamer (DDD), the first B-DNA structure solved experimetally (PDB code 1BNA). Major and minor groove views of Potassium distribution along the helix. Cartesian K+ isomolarity surfaces at 1.5 Molar, shown along with the average DNA structure from the MD simulations (represented with a silver sheet). For comparison purposes, the K+ isosurfaces have been overlapped with the Tl+ cations (red spheres) that co-crystallized with the DNA (PDB code 1JGR). Note that Thallium cations are used as a replacement of Potassium in diffraction experiments. The colors of the different isosurfaces represents different state-of-the-art force-field parameterizations available to treat K+ in solution: pink (Jensen & Jorgensen), yellow (Beglov & Roux), green (Joung & Cheatham), blue (Smith & Dang).