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. 2019 Feb 18;20(4):884. doi: 10.3390/ijms20040884

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© 2019 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).

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Dynamics of ligands binding to the Mrlip1. (A) RMSD plot for Mrlip1 as a function of time. (B) RMSD plot for ligands as a function of time. (C) Backbone residual fluctuations (RMSF) plot. (D) Time evolution of radius of gyration (R_g). The values were presented during 100,000 ps (100 ns) MD simulations time scale. Black, red, green, blue, and yellow colors represent values obtained for Mrlip1, Mrlip1-RHC80267, Mrlip1-ZINC85530919, Mrlip1-ZINC95914464, and Mrlip1-ZINC85530320 complexes respectively.