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Comparison of pKa values for lead-dependent ribozyme. (a) The lead-dependent ribozyme and the residues with experimentally measured pKa values. (b) Correlation plot of calculated pKa values from computational approaches (NLPB and CPHMDMSλD) and experimental pKa values. (c) Correlation plot of pKa values calculated from NLPB compared to CPHMDMSλD. The error bars denote the standard deviation of calculated pKa values. All NLPB calculations were obtained from Honig, Pyle and co-workers.44
