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. Author manuscript; available in PMC: 2019 Oct 5.

Published in final edited form as: Eur J Med Chem. 2018 Sep 11;158:478–492. doi: 10.1016/j.ejmech.2018.09.029

Fig. 3 — A) RMSD (all heavy atoms) of amino acid residues of CA HIV-1 monomer in reference to the first frame of the 1μs MD simulation. B) RMSF of the backbone Cα atoms for residues of CA HIV-1 monomer during the 1μs MD simulation. C) RMSD (all heavy atoms) of the bound 13m during the 1μs of the MD simulation based on the first frame of the simulation.

Fig. 3 — A) RMSD (all heavy atoms) of amino acid residues of CA HIV-1 monomer in reference to the first frame of the 1μs MD simulation. B) RMSF of the backbone Cα atoms for residues of CA HIV-1 monomer during the 1μs MD simulation. C) RMSD (all heavy atoms) of the bound 13m during the 1μs of the MD simulation based on the first frame of the simulation.