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. 2021 Aug 20;8:639614. doi: 10.3389/fmolb.2021.639614

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Copyright © 2021 Srivastava, Mittal, Kumari and Asthana.

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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Estimation of different RTP states at MD scale. (A) RTP stability in different runs, Run1: Turquoise, Run2: Magenta and Run3: Red. (B) Three different states were observed, I: Initial state, IM: Inter-mediate state and S: MD stable state, where RTP is shown in licorice and protein in new cartoon. The conformations of RTP are shown in licorice with time-step coloring method, RTP conformation shown in vdW and protein is represented in surf at (C) I state (D) IM state and (E) S state.