Research Article

Discovery of Potential Orthosteric and Allosteric Antagonists of P2Y1R from Chinese Herbs by Molecular Simulation Methods

Table 3

Twelve GALAHAD models selected based on N_Hits.

N_Hits ModelN_HitsSpecificityEnergyPareto

O-1272.3741.350
O-0671.9522860.180
O-1160.840.800
O-0561.82−0.300
O-2062.180.120
O-1861.77−0.520
O-1661.440.450
O-1462.50−0.050
O-1563.722134232.750
O-0162.3012.390