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Ability of conformations in the ensembles generated by MC, MOE, and OMEGA to reproduce the solution ensembles of roxithromycin in chloroform and water, as determined by NMR spectroscopy. Reproducibilities have been determined as the frequency of conformations found within an RMSD cutoff of <2 Å of each of the solution conformations. The population (in %) of each solution conformation, as determined by NMR spectroscopy, is stated below the number of the conformation.
