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. Author manuscript; available in PMC: 2012 Dec 13.
Published in final edited form as: J Chem Theory Comput. 2011 Nov 14;7(12):3859–3865. doi: 10.1021/ct200565u

Figure 1.

Figure 1

Representative structures for the congeneric series used in this work. Tables with all derivatives and binding data can be found in the supporting information.