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. 2021 Apr 29;11(5):653. doi: 10.3390/biom11050653

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© 2021 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 (https://creativecommons.org/licenses/by/4.0/).

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Molecular dynamics simulations graphs (a) RMSD versus time (ns) and (b) Rg versus time (ns). In (a,b), the unbound p38 MAPK protein (3ZS5), ZINC1691180, ZINC4520996, ZINC5519433, and ZINC5733756, SB 202190, and SB 203580–p38 MAPK complexes are shown as black, red, green, blue, yellow, brown, ash and purple, respectively.

Molecular dynamics simulations graphs (a) RMSD versus time (ns) and (b) Rg versus time (ns). In (a,b), the unbound p38 MAPK protein (3ZS5), ZINC1691180, ZINC4520996, ZINC5519433, and ZINC5733756, SB 202190, and SB 203580–p38 MAPK complexes are shown as black, red, green, blue, yellow, brown, ash and purple, respectively.