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. 2016 Apr 8;12(5):2312–2323. doi: 10.1021/acs.jctc.6b00027

Figure 7.

Figure 7

Final snapshots of (left) benzofuran and (right) indole bound to the hydrophobic pocket of the L99A mutant of T4 lysozyme from Monte Carlo free-energy calculations. Extra point sites on Met102 are also shown. Negative charges are displayed in magenta; positive charges are displayed in cyan.