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. 2023 Apr 7;11:e14936. doi: 10.7717/peerj.14936

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©2023 Yousaf et al.

This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, reproduction and adaptation in any medium and for any purpose provided that it is properly attributed. For attribution, the original author(s), title, publication source (PeerJ) and either DOI or URL of the article must be cited.

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(A) The interactions showed at 0 ns (first frame). (B) The interactions at 50 ns (last frame). (C) The binding modes of hits before and after MD simulations. The red sticks are showing poses (first frame) while the green sticks are indicating the poses in last frame.