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. Author manuscript; available in PMC: 2026 Apr 15.
Published in final edited form as: J Comput Chem. 2026 Jan 15;47(2):e70312. doi: 10.1002/jcc.70312

Figure 8.

Figure 8.

Similarity to 57 crystallographic ligands from DOCK_DN (black) and DOCK_SWAP (red, green blue) simulations in terms of best scoring (a) HMS scoring molecule per system and (b) for three different HMS score cutoff ranges: HMS < 0 (top), HMS < −1 (middle), HMS −2 (bottom). Each group rank-ordered individually to observe the overall trends.