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Table 3 The top 10 best docked compounds of Pharmit resource ranked based on the CB-dock score, Pharmit score and RMSD values

From: Analysing the essential proteins set of Plasmodium falciparum PF3D7 for novel drug targets identification against malaria

Docked ligand Pharmit IDs Chemical structure CB-Dock score Pharmit score RMSD value
1 MolPort-045–917-542 − 10.6 − 8.53 2.8
2 MolPort-045–918-058 − 8.1 − 8.02 2.6
3 MolPort-045–931-878 − 8.4 − 6.98 2.5
4 MolPort-045–915-346 − 9.2 − 6.90 2.9
5 MolPort-045–934-296 − 8.4 − 6.75 2.9
6 MolPort-035–379-921 − 8.2 − 6.66 2.7
7 MolPort-046–894-718 − 7.5 − 6.66 2.6
8 MolPort-045–918-093 − 9.3 − 6.65 2.9
9 MolPort-019–706-160 − 7.5 − 6.64 2.0
10 MolPort-029–999-758 − 8.5 − 6.61 2.8