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. Author manuscript; available in PMC: 2018 Oct 1.

Published in final edited form as: J Mol Graph Model. 2017 Aug 16;77:189–199. doi: 10.1016/j.jmgm.2017.08.013

Table 2.

Sennoside B docking sites and scoring summary (the most favored binding site in bold/italics).

		Best HINT	Average HINT	Boltzmann average HINT
Monomer	Site 1	1025	−98	39
	*Site 2*	*1491*	*122*	*999*
	Site 3	761	127	428
	Site 4	769	−237	366
	Site 5	654	−41	353

Dimer	Site 1	485	−636	149
	Site 2	−666	113	−308
	*Site 3*	*1407*	*−215*	*1031*
	Site 4	673	−422	323