In all three replicates the RMSD is still increasing at 500 ns, indicating that CmeC is not yet fully equilibrated. Bottom: When one replicate was extended to 1250 ns, the backbone RMSD continued to increase. (TIF)</p
<p>RMSD protein and RMSD domain were determined by aligning either the entire protein or all TM heli...
<p>(A) The backbone atom root mean square deviation (RMSD) for apo, inhibitor bound, apo (truncated)...
<p>(A) Control plots representing the stability of the models during the molecular dynamics run. The...
Systems where cations were removed saw increased RMSD values compared to equilibrium simulations, th...
<p>The RMSD was calculated over the whole simulation process to check the stability of the unmodifie...
<p>Protein backbone RMSD of COX-1 model, over a time frame of 15ns (in black), shows stability in th...
<p>RMSD graph shows the deviation of the backbone in the native (blue) and the mutant (green) form o...
The molecular dynamic results: A) the root mean square deviation (RMSD) for the free and the associa...
<p>RMSD for the studied systems are represented in colors indicated at the right.</p
<p>Over a 10 ns span the RMSD remains very low, below 0.75 Å for trace alpha carbons of the PECr com...
<p>We generated samples for each loop. The mean value of the minimum RMSD of the loops (-axis) is ...
<p>RMSD of the protein backbone, with respect to the 2YPN reference structure, at each stage of chai...
<p>The Comparative diagram for various calculations of Backbone RMSD by regarding N-domain, C-domain...
(A, B) Cross-correlation (Pearson correlation) of RMSD values of each domain for wild type and D170A...
<p>From top to bottom: Root mean square deviation (RMSD) of the protein backbone, <i>z</i> coordinat...
<p>RMSD protein and RMSD domain were determined by aligning either the entire protein or all TM heli...
<p>(A) The backbone atom root mean square deviation (RMSD) for apo, inhibitor bound, apo (truncated)...
<p>(A) Control plots representing the stability of the models during the molecular dynamics run. The...
Systems where cations were removed saw increased RMSD values compared to equilibrium simulations, th...
<p>The RMSD was calculated over the whole simulation process to check the stability of the unmodifie...
<p>Protein backbone RMSD of COX-1 model, over a time frame of 15ns (in black), shows stability in th...
<p>RMSD graph shows the deviation of the backbone in the native (blue) and the mutant (green) form o...
The molecular dynamic results: A) the root mean square deviation (RMSD) for the free and the associa...
<p>RMSD for the studied systems are represented in colors indicated at the right.</p
<p>Over a 10 ns span the RMSD remains very low, below 0.75 Å for trace alpha carbons of the PECr com...
<p>We generated samples for each loop. The mean value of the minimum RMSD of the loops (-axis) is ...
<p>RMSD of the protein backbone, with respect to the 2YPN reference structure, at each stage of chai...
<p>The Comparative diagram for various calculations of Backbone RMSD by regarding N-domain, C-domain...
(A, B) Cross-correlation (Pearson correlation) of RMSD values of each domain for wild type and D170A...
<p>From top to bottom: Root mean square deviation (RMSD) of the protein backbone, <i>z</i> coordinat...
<p>RMSD protein and RMSD domain were determined by aligning either the entire protein or all TM heli...
<p>(A) The backbone atom root mean square deviation (RMSD) for apo, inhibitor bound, apo (truncated)...
<p>(A) Control plots representing the stability of the models during the molecular dynamics run. The...
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