Table 1.

Performance evaluation for CysLT1R and CysLT2R crystal structures and LiBERO-optimized models.

	Number of Water Molecules	ROC	NSA	Score Average	Best Score
CyLT1, crystal structure	0	80	60	−37	−41
CyLT1, LiBERO structure	1	86	74	−46	−52
CyLT2, crystal structure	1	87	77	−34	−37
CyLT2, LiBERO structure	1	89	82	−39	−43
4D screening model (combined)	as above	90	82	−45	−50