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. 2014 Jan 28;54(2):601–612. doi: 10.1021/ci400707h

Table 4. Best Energy Score for Docking of Drugs into Specified Homology Models Using GOLD and Scoring Docking Poses with Chemscore.

  Chemscore
drug MthK(1LNQ) 3F5W 3F7V
S-bupivacaine 33.5 26.9 –14.4
cavalli-2 44.4 37.8 –4.8
cavalli-6 41.5 35.2 –7.1
cisapride 32.7 30.3 –12.8
chloroquine 34.8 30.6 –10.9
dofetilide 30.5 27.4 –12.8
E-4031 35.2 32.3 –12.2
haloperidol 37.7 33.4 –13.8
terfenidine 51.9 44.1 –1.5