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. Author manuscript; available in PMC: 2010 May 13.
Published in final edited form as: J Med Chem. 2008 Nov 27;51(22):7154–7160. doi: 10.1021/jm800668u

Table 1.

LIE coefficients for various receptor and ligand groups. a

Model A = αΔGvdW + βΔGEl + γ Number of
Compounds		 R2
α β γ
I X 6.49e-3 −8.22 31 0.66
N I 1.04e-2 1.31e-2 −8.36 25 0.71
L I 1.58e-2 4.98e-3 −8.23 6 0.99
II 1.37e-2 7.48e-3 −8.48 31 0.70
B II 1.64e-2 1.14e-2 −8.66 21 0.81
a

N, L, and B refer to nucleoside, linker, and base compound sets. I and II refer to truncation procedures 1 and 2, respectively. α and β have units of 1/(kJ/mol) so that multiplication by an interaction energy in kJ/mol results in a pure number. γ is unitless. A is an estimation of log(Kiapp). X indicates that the coefficient was statistically insignificant.