Fig. 1

Correlation between the VS results of the four docking programs for Cn. For each compound, the score obtained by one program is reported versus the score obtained with the other program. For Glide, FlexX and Surflex, the scores are given as ΔG in kcal/mol, the lowest being the best, whereas for Gold, the score is a positive fitness, and therefore, the highest is the best. The correlation coefficients, r, between the programs are given in each plot