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. 2003 Aug;12(8):1706–1718. doi: 10.1110/ps.0301103

Table 2.

Regression analysis of calculated ΔEbind and experimental changes in binding energya

A: ViroLogic PhenoSense
Inhibitor N R2 S.E. (kcal/mole) S.E. (fold)b
Amprenavir 65 0.83 0.36 1.8
Indinavir 65 0.80 0.43 2.0
Lopinavir 48 0.81 0.46 2.1
Nelfinavir 65 0.76 0.50 2.3
Ritonavir 65 0.78 0.57 2.5
Saquinavir 65 0.83 0.45 2.1
B: Virco Antivirogram
Inhibitor N (outliers)c R2 (+outliers) S.E. (+outliers) S.E. (fold)b (+outliers)
a Experimental changes in the binding energy were estimated as RT ln(IC50mut/IC50wt). The number of data points (N), correlation coefficients (R2), and standard errors (S.E.) in predicted binding energies are given.
b The standard error of prediction is expressed as a change in the fold resistance.
c Outliers are data points that were excluded to obtain statistically significant correlations. Characteristics of correlations obtained with outliers are given in parentheses.
Amprenavir 63 (6) 0.53 (0.34) 0.42 (0.55) 2.0 (2.4)
Indinavir 63 (8) 0.72 (0.51) 0.43 (0.57) 2.0 (2.5)
Lopinavir 63 (3) 0.81 (0.70) 0.35 (0.44) 1.8 (2.0)
Nelfinavir 63 (2) 0.70 (0.57) 0.47 (0.58) 2.1 (2.6)
Ritonavir 63 (3) 0.78 (0.68) 0.54 (0.68) 2.4 (3.0)
Saquinavir 61 (5) 0.66 (0.37) 0.56 (0.77) 2.5 (3.5)