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. Author manuscript; available in PMC: 2014 Dec 10.
Published in final edited form as: J Chem Theory Comput. 2013 Oct 28;9(12):5526–5538. doi: 10.1021/ct4005992

Figure 5.

Figure 5

Heat maps for sp3 oxygen (left) and aromatic carbon (right). Grid points with lighter color indicate energetically favorable locations for certain atom types within the binding pocket.