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. Author manuscript; available in PMC: 2021 Feb 1.
Published in final edited form as: J Comput Aided Mol Des. 2019 Dec 26;34(2):179–189. doi: 10.1007/s10822-019-00257-1

Fig. 8.

Fig. 8

Comparison of MD refinement results and starting conformations. The RMSD of the best MD refined pose (blue bars) and the starting pose (white boxes) against the native pose