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. 2017 Mar 20;8:460. doi: 10.3389/fmicb.2017.00460

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Copyright © 2017 Li, Lu, Qi, Li, Wang, Wang, Liu, Niu, Deng and Wang.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) or licensor are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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The binding mode of morin with SLY based on the MD simulation. (A) The 3D structure and residues of the binding site in the SLY-morin complex; (B) RMSF of the residue positions over the 200-ns simulations with respect to their initial position in SLY as a free protein and in complex; (C) The number of hydrogen bonds between morin and SLY during the MD simulation; (D) Decomposition of the binding energy on a per-residue basis in the binding sites of the SLY-morin complex; (E) The effect of morin on the hemolylsis induced by SLY and its derivatives, Tyr54Ala, Gln107Ala, and Asp111. ^∗ indicates P < 0.05, and ^∗∗ indicates P < 0.01 compared with the morin-free sample (two-tailed Student’s t-test).