<p>The molecular dynamics trajectories for: (A) Comparison of the RMSD plots of the sensitive sites (P-loop, switch I and II regions) of WT, G12D and G13D structures with respect to the initial conformation during the course of the simulation; (B) the pocket distances between the mass center of residues 12–13 and the mass center of residues 32–34 for WT, G12D, and G13D, respectively.</p
<p>(A) Five independent trajectories (colored differently) of the crystal structure over 100 ns each...
<p>(A) The backbone atom root mean square deviation (RMSD) for apo, inhibitor bound, apo (truncated)...
<p>(a) Time course of root mean square deviations (RMSDs) of wild-type CycT1 (left) and CycT1 mutant...
<p>A) The evolution of the RMSD (Root Mean Square Deviation) of WT-g14-3-3 (in red) and Pho-g14-3-3 ...
<p>(A) The distances between the C<sub>α</sub> of specific residues located at the interfaces along ...
<p>(A) is the D1-D2 domain, (B) the D3 domain and (C) heavy atoms of the ligands. The initial confor...
<p>(a–b). Root-mean-square deviations (RMSD) of the backbone atoms for two independent MD simulation...
<p>A. Plot of root mean square deviation (RMSD) of model 1L P<sub>core</sub> Cα atoms versus simulat...
<p><b>(A)</b> The root mean square deviations (RMSDs) from the initial coordinates computed on the C...
<p>(A) Control plots representing the stability of the models during the molecular dynamics run. The...
<p>(A)Snapshots for a representative unzipping simulation (FU2). (B)First panel: the force curve. Se...
<p>Comparison of wt and 116G PrP via MD simulations. (<b>a</b>) Cartoon representation of wild type ...
<p>A) Snapshots at 20, 30, 40, and 50 ns of the protein structures during the simulation. The protei...
<p>The configurations taken from the simulation of WT PTCR (A) and C-terminal-deleted PTCR (B) were ...
<p>(A) Potential of mean force (PMF) plot along the distance between the PP<sub>i</sub> group and Mg...
<p>(A) Five independent trajectories (colored differently) of the crystal structure over 100 ns each...
<p>(A) The backbone atom root mean square deviation (RMSD) for apo, inhibitor bound, apo (truncated)...
<p>(a) Time course of root mean square deviations (RMSDs) of wild-type CycT1 (left) and CycT1 mutant...
<p>A) The evolution of the RMSD (Root Mean Square Deviation) of WT-g14-3-3 (in red) and Pho-g14-3-3 ...
<p>(A) The distances between the C<sub>α</sub> of specific residues located at the interfaces along ...
<p>(A) is the D1-D2 domain, (B) the D3 domain and (C) heavy atoms of the ligands. The initial confor...
<p>(a–b). Root-mean-square deviations (RMSD) of the backbone atoms for two independent MD simulation...
<p>A. Plot of root mean square deviation (RMSD) of model 1L P<sub>core</sub> Cα atoms versus simulat...
<p><b>(A)</b> The root mean square deviations (RMSDs) from the initial coordinates computed on the C...
<p>(A) Control plots representing the stability of the models during the molecular dynamics run. The...
<p>(A)Snapshots for a representative unzipping simulation (FU2). (B)First panel: the force curve. Se...
<p>Comparison of wt and 116G PrP via MD simulations. (<b>a</b>) Cartoon representation of wild type ...
<p>A) Snapshots at 20, 30, 40, and 50 ns of the protein structures during the simulation. The protei...
<p>The configurations taken from the simulation of WT PTCR (A) and C-terminal-deleted PTCR (B) were ...
<p>(A) Potential of mean force (PMF) plot along the distance between the PP<sub>i</sub> group and Mg...
<p>(A) Five independent trajectories (colored differently) of the crystal structure over 100 ns each...
<p>(A) The backbone atom root mean square deviation (RMSD) for apo, inhibitor bound, apo (truncated)...
<p>(a) Time course of root mean square deviations (RMSDs) of wild-type CycT1 (left) and CycT1 mutant...