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. Author manuscript; available in PMC: 2015 Apr 1.
Published in final edited form as: J Comput Aided Mol Des. 2013 Nov 12;28(4):319–325. doi: 10.1007/s10822-013-9690-2

Figure 3.

Figure 3

1H NMR of: a) Free host. [host] = 1.0 mM; b) a 2:1 ratio of host and guest (no free guest), [host] = 1.0 mM; c) Free guest, [guest] = 1.0 mM. All solutions in 10 mM sodium tetraborate buffer.