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. 2016 Nov 22;4:e2698. doi: 10.7717/peerj.2698

Table 2. Testosterone, finasteride, SRE phytosterols and SRE fatty acids binding energies (kcal/mol) obtained with PyRosetta, using 5BR as a target protein.

Substrates Unproductive position Productive position
Testosterone −7 −11
Finasteride −6 −27
β-sitosterol −2 −28
Stigmasterol 0.1 −29
Campesterol 0.5 −8
Daucosterol −34 −30
Oleic acid −12 −34
Lauric acid −3 Not binding
Myristic acid −8 −20
Palmitic acid −12 −13
Linoleic acid −7 −28