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. 2023 Oct 2;14:1242194. doi: 10.3389/fphar.2023.1242194

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Copyright © 2023 Li, Li, Guo, Tan, Xiang and Ouyang.

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 molecular dynamic simulations to calculate the binding stability of sitogluside–IGF1 complex. (A), The total energy (a) and potential energy (b) curves of the whole ensemble in 300 ps simulation, showed the stability. (B), The temperature alteration of whole ensemble is controllable in 300 ps simulation. (C), The RMSD curve present the conformational alternation of receptor made by ligand. (D), The RMSF curve showed the conformational alternation of amino acid residues. (E), The hydrogen bond heat map of sitogluside–IGF1 complex.