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. 2019 Mar 12;12(1):36. doi: 10.3390/ph12010036

Table 1.

Parameters of GALAHAD™ for models from MtKasA inhibitors. The pharmacophore model that presented an energy penalty is indicated by the red color.

Models Strain Energy (kcal/mol) Hbond Mol-qry
2 7.53 650.30 112.40
8 7.58 613.30 114.60
1 8.02 619.30 127.70
5 9.05 497.20 122.60
10 9.54 478.10 125.10
4 10.52 520.90 128.40
7 45.88 504.00 126.20
9 67.80 550.70 132.00
6 69.55 482.60 136.70
3 496.79 655.80 133.10