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. Author manuscript; available in PMC: 2010 Jan 16.
Published in final edited form as: ACS Chem Biol. 2009 Jan 16;4(1):29–40. doi: 10.1021/cb8002804

Figure 3.

Figure 3

MM/GBSA calculations of free energy of binding predict that RJF compounds bind to the active site of P. falciparum DHFR (upper panel), as confirmed by co-crystallization studies (lower panel).