Table 6.

Structure-based alignment assessment of 5-HT_2BR ligands.

Code	AutoDock	Vina	SMINA			DOCK	PLANTS			Ref.
SF a			Vina	Vinardo	ad4		chemplp	plp	plp95
	Randomized Conformation Cross-Docking (RCCD)
4NC3 b	4.454 c	2.785	2.986	2.784	2.984	4.313	3.125	2.742	3.421	[29]
4IB4	3.431	2.895	4.124	3.984	2.634	3.453	3.784	2.563	2.741	[29]
5TUD	3.625	2.748	2.642	3.614	3.569	3.695	2.539	2.597	3.625	[57]
5TVN	2.895	1.993	1.963	1.943	3.964	3.241	2.431	3.254	2.346	[31]
6DRX	2.674	2.864	2.424	2.435	2.874	3.254	2.964	3.541	2.758	[33]
6DRY	2.895	2.998	3.894	3.784	2.695	2.451	2.531	2.431	2.321	[33]
6DRZ	2.992	2.674	3.431	3.895	3.624	2.563	2.728	3.522	2.462	[33]
6DS0	2.567	1.864	2.974	2.983	2.874	2.451	2.351	2.214	3.325	[33]
7SQR	2.517	2.957	2.987	2.524	2.595	3.648	2.487	2.845	2.635	[32]
7SRS	2.698	1.997	1.987	1.987	2.749	2.874	2.228	2.457	3.984	[32]
7SRR	3.624	2.487	2.964	1.987	2.996	3.625	2.487	2.625	3.635	[32]
DA d	31.82%	63.64%	45.45%	45.45%	36.36%	18.18%	40.91%	36.36%	31.82%

^a Scoring function; ^b Experimental conformation; ^c Root-Mean-Square-Deviation measured between the heavy atoms of the ligand’s experimental and the ligand’s re-/cross-aligned conformation; ^d Docking accuracy.