Closed primaryodors closed 11 months ago
Ligand flexion attempts in conform_molecules() are now accompanied by a realignment of the best-binding atom groups with their residue groups. The TAAR8 cadaverine dock now makes contacts of ca. -30 kJ/mol with D111 and D201.
Ligand flexion attempts in conform_molecules() are now accompanied by a realignment of the best-binding atom groups with their residue groups. The TAAR8 cadaverine dock now makes contacts of ca. -30 kJ/mol with D111 and D201.