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Figure 4 | BMC Bioinformatics

Figure 4

From: Homology modeling, molecular docking, and molecular dynamics simulations elucidated α-fetoprotein binding modes

Figure 4

MD profiles of the rat AFP tertiary structure optimization. a) RMSD values (y-axis) along the time frame (x-axis) for atoms of protein backbone (black line) and ligand binding pocket (red line); b) RMSF values (y-axis) in MD simulation for individual along residues (x-axis); c) The loop from residues 70-90 folded to the helix after MD simulations (gray: initial models; yellow: after 5 ns MD simulation; green: after 10 ns MD simulation).

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BMC Bioinformatics

ISSN: 1471-2105

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