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. Author manuscript; available in PMC: 2013 Jun 21.
Published in final edited form as: J Chem Inf Model. 2012 Mar 26;52(4):1046–1060. doi: 10.1021/ci200620h

Figure 4.

Figure 4

Protein pharmacophores identified in the active site of pcDHFR (left) and the interaction between the classical antifolate MTXO and binding site residues of 1DAJ (right). The binding site residues and the co-factor NADPH are shown as grey sticks. The pharmacophore features are color-coded as described in Figure 2.