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. 2021 Jun 18;9:692200. doi: 10.3389/fchem.2021.692200

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Copyright © 2021 Xu, Zhu and Zhang.

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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Typical structures of four different proteins with different MBGs after the MD simulations with NN/MM-RESP-MBG models. (A) CCCC type (PDB ID: 1ZIN), (B) CCHH type (PDB ID: 1AAY), (C) CCCH type (PDB ID: 2L30), and (D) HHHO (PDB ID: 1HFS).