<p>A. Plot of root mean square deviation (RMSD) of model 1L P<sub>core</sub> Cα atoms versus simulation time, with respect to the starting structure coordinates. B, C, D and E. RMSD of model 2L, 1, 2 and 5L P<sub>core</sub> Cα atoms using model 1L P<sub>core</sub> as reference structure. F. Time- and residue-averaged root mean square fluctuations (RMSF) of all simulated models (1L to 5L and 1 to 5). The displayed curves represent average RMSF values over the four chains of a tetramer and two independent simulations.</p
<p>A) The evolution of the RMSD (Root Mean Square Deviation) of WT-g14-3-3 (in red) and Pho-g14-3-3 ...
<p><b>(A)</b> The root mean square deviations (RMSDs) from the initial coordinates computed on the C...
<p>(a) Trajectories of root-mean-square deviations (RMSD) of heavy atoms in three independent molecu...
<p>(a–b). Root-mean-square deviations (RMSD) of the backbone atoms for two independent MD simulation...
<p>(A) The Root Mean Square Fluctuations (RMSF) profile of RpfCc of the 60 ns MD simulation versus t...
<p>The root-mean-square deviations (RMSDs) of MTHase backbone atoms (blue curve) and all the G<sub>3...
<p>Mean Root Mean Square Fluctuation (RMSF) computed for the C<i>α</i> atoms of the <i>µ</i>OR backb...
<p>The time dependence of the root mean square deviations (RMSDs) of Cα atoms of Tat/CycT1/CDK9 (lef...
<p>Structure snapshots (one structure for 2-ns interval) of the first MD simulations respectively fo...
<p>(a) Time course of root mean square deviations (RMSDs) of wild-type CycT1 (left) and CycT1 mutant...
<p>Root-mean-square fluctuations (RMSF) of the Cα atoms for three independent MD simulations of the ...
<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...
<p>RMSDs were calculated for the main-chain atoms, using the initial, energy minimized structure as ...
<p>Root-mean-square deviations (RMSD) of the Cα atoms (from their positions in the energy minimized ...
<p>A) The evolution of the RMSD (Root Mean Square Deviation) of WT-g14-3-3 (in red) and Pho-g14-3-3 ...
<p><b>(A)</b> The root mean square deviations (RMSDs) from the initial coordinates computed on the C...
<p>(a) Trajectories of root-mean-square deviations (RMSD) of heavy atoms in three independent molecu...
<p>(a–b). Root-mean-square deviations (RMSD) of the backbone atoms for two independent MD simulation...
<p>(A) The Root Mean Square Fluctuations (RMSF) profile of RpfCc of the 60 ns MD simulation versus t...
<p>The root-mean-square deviations (RMSDs) of MTHase backbone atoms (blue curve) and all the G<sub>3...
<p>Mean Root Mean Square Fluctuation (RMSF) computed for the C<i>α</i> atoms of the <i>µ</i>OR backb...
<p>The time dependence of the root mean square deviations (RMSDs) of Cα atoms of Tat/CycT1/CDK9 (lef...
<p>Structure snapshots (one structure for 2-ns interval) of the first MD simulations respectively fo...
<p>(a) Time course of root mean square deviations (RMSDs) of wild-type CycT1 (left) and CycT1 mutant...
<p>Root-mean-square fluctuations (RMSF) of the Cα atoms for three independent MD simulations of the ...
<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...
<p>RMSDs were calculated for the main-chain atoms, using the initial, energy minimized structure as ...
<p>Root-mean-square deviations (RMSD) of the Cα atoms (from their positions in the energy minimized ...
<p>A) The evolution of the RMSD (Root Mean Square Deviation) of WT-g14-3-3 (in red) and Pho-g14-3-3 ...
<p><b>(A)</b> The root mean square deviations (RMSDs) from the initial coordinates computed on the C...
<p>(a) Trajectories of root-mean-square deviations (RMSD) of heavy atoms in three independent molecu...