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. Author manuscript; available in PMC: 2011 Jan 27.
Published in final edited form as: J Chem Theory Comput. 2010 Jan 1;6(12):3850–3856. doi: 10.1021/ct100504h

Figure 4.

Figure 4

Calculated vs. experimental relative free energies of binding for the p38 inhibitors using the JAWS protocol to determine initial water coordinates. Details are the same as in Figure 2. To aid in comparison with Figure 2, axis scales and data symbols are the same.