Ligand root mean square deviation (RMSD) data from molecular dynamics (MD) simulations exploring the stability of docked ligand conformations obtained from a study of the cytoplasmic opening of the aq
Endopolygalacturonase I from Stereum purpureum complexed with a galacturonate at 1.00 A resolution. Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ENDOPOLYGALACTURONASE, ... Autho
aRMSD values between the top scoring pose in Ångstroms measured over all heavy atoms of the peptide and the peptide's position in the crystal structure.
