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Table 2 Re-docking results of different targets in different parameter sets of FlexX

From: WISDOM-II: Screening against multiple targets implicated in malaria using computational grid infrastructures

Target Ligand Total Score RMS-Value Total Score RMS-Value Total Score RMS- Value Total Score RMS-Value
   1   2   3   4  
1Q4J_a GTX -24.33 3.68 -20.99 7.53 -20.15 6.94 -25.93 7.11
1Q4J_b GTX -19.93 6.45 -18.33 11.83 -18.33 11.78 -25.07 6.28
2BLC CP7 -13.47 4.88 -14.09 4.78 -12.53 4.45 -14.43 4.78
2BL9 CP6 -13.657 4.71 -12.50 6.17 -13.65 4.71 -12.50 6.17
Target Ligand Total Score RMS-Value Total Score RMS-Value Total Score RMS- Value Total Score RMS-Value
   5   6   7   8  
1J3K WR9 -24.33 3.68 -23.91 1.81 -23.75 2.21 -26.41 3.14
1J3I WR9 -30.75 2.49 -21.98 1.41 -20.83 2.69 -25.69 1.76
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