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. Author manuscript; available in PMC: 2017 Jan 12.
Published in final edited form as: J Chem Inf Model. 2016 May 17;56(6):1063–1077. doi: 10.1021/acs.jcim.5b00523

Figure 3.

Figure 3

The poses that comprise a second, local minimum for gtc000445 are shown. The decoys (colored purple) are 5Å RMSD from the crystal pose, but they have significant overlap with the correct, near-native pose (colored green). The decoys are flipped over backwards with many favorable hydrogen bonds that lead to good scores.