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. Author manuscript; available in PMC: 2012 Feb 28.
Published in final edited form as: J Chem Inf Model. 2011 Jan 7;51(2):214–228. doi: 10.1021/ci100257s

Figure 1.

Figure 1

Figure 1

Figure 1

Distribution histograms of the change in binding free energy (ΔG) (mean = −8.73 kcal/mol, std. dev. = 2.73 kcal/mol) (A), change in enthalpy (ΔH) (mean = −5.40 kcal/mol, std. dev. = 8.96 kcal/mol) (B), change in entropy (TΔS) (mean = 3.31 kcal/mol, std. dev. = 8.92 kcal/mol) (C), and molecular weight (mean = 455.25 Da, std. dev. = 273.11 Da.) (D) of complexes in the final PHOENIX training set (n = 112).

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