Table 1. Top ZRANKed docking solutions and their computed metrics shape complementarity (Sc) and interaction energy (IE).

ZRANK #	ZDOCKsolution #	Sc	IE (kcal mol−1)
1	1698	0.425	−6.35
2	1	0.704	−15.40
3	566	0.663	−8.51
4	45 a	0.748	−19.37
5	431	0.668	−3.61
6	20	0.673	−14.29
7	1094	0.414	−3.72
8	41	0.672	−13.46
9	380	0.658	−10.42
10	136	0.710	−13.33
11	240	0.400	−0.99
12	88	0.444	−10.98
13	21	0.520	−15.42
14	24	0.557	−13.65
15	1235	0.492	−8.29
16	268	0.386	−3.19
17	6	0.610	−15.75
18	195	0.550	−18.66
19	491	0.365	−6.15
20	8	0.529	−12.72

^aThis ZDOCK solution was selected as the optimal or preferred solution for the structural model of the G3 - HER2 complex.