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. Author manuscript; available in PMC: 2014 Jun 24.
Published in final edited form as: J Chem Inf Model. 2013 May 21;53(6):1337–1349. doi: 10.1021/ci400160x

Figure 6.

Figure 6

Conformational sampling of the mGluR5 in the presence of ligands represented using free energy surfaces. Distances across two pairs of inter-lobe Cα atoms(S173-D305 and K396-G280) are reaction coordinates for the free energies that are measured in kBT; 1 kBT∼0.59