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. 2020 Oct 2;11:581001. doi: 10.3389/fphar.2020.581001

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Copyright © 2020 Yang, Guo, Zhou, Gao, Wang, Wang and Niu

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) and the copyright owner(s) 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 potently binding mode of carnosic acid with NDM-1 via molecular modeling. (A) The stable 3D structure of carnosic acid with NDM-1 based on the MD simulation; (B) The RMSD values of NDM-1 with carnosic acid complex.