<p>Root mean square deviation (RMSD) from the crystallographic structures of the C<sup>α</sup> atoms as a function of simulation time for apo-<i>Tth</i>-MCO form (black line), holo-<i>Tth</i>-MCO (red line) and holo-<i>Tth</i>-MCO without loop (β21–β24)<sub>D2</sub> (blue line).</p
<p>RMSD values of the backbone atoms relative to the initial minimized structures as functions of si...
<p>Mean Root Mean Square Fluctuation (RMSF) computed for the C<i>α</i> atoms of the <i>µ</i>OR backb...
<p>Time series of the RMS deviation of Cα atoms from the starting structure in the ADP+Pi/apo and AT...
<p>Deviations are averaged over C<sup>α</sup> fragments with a homogeneous secondary structure. Erro...
<p>The root-mean-square deviation (RMSD) of the backbone atoms relative to their crystal structure a...
<p>The root-mean-square deviations (RMSDs) of MTHase backbone atoms (blue curve) and all the G<sub>3...
<p>RMSDs were calculated for the main-chain atoms, using the initial, energy minimized structure as ...
<p>a) Apo_form, b) SIRT2 bound with substrate/NAD<sup>+</sup>, and c) SIRT2 with inhibitor.</p
<p>RMSD respect to the starting structures, homology models, of hD<sub>3</sub> (black squares) and h...
<p>A) Average of the backbone RMSD (without loops) of ten opening ED simulations. The open crystal s...
<p>A. Plot of root mean square deviation (RMSD) of model 1L P<sub>core</sub> Cα atoms versus simulat...
<p>(A) Control plots representing the stability of the models during the molecular dynamics run. The...
<p>The RMSD was calculated over the whole simulation process to check the stability of the unmodifie...
<p>Each model displays similar structural variance from the initial configuration. The RMSD for the ...
<p>(A) The backbone atom root mean square deviation (RMSD) for apo, inhibitor bound, apo (truncated)...
<p>RMSD values of the backbone atoms relative to the initial minimized structures as functions of si...
<p>Mean Root Mean Square Fluctuation (RMSF) computed for the C<i>α</i> atoms of the <i>µ</i>OR backb...
<p>Time series of the RMS deviation of Cα atoms from the starting structure in the ADP+Pi/apo and AT...
<p>Deviations are averaged over C<sup>α</sup> fragments with a homogeneous secondary structure. Erro...
<p>The root-mean-square deviation (RMSD) of the backbone atoms relative to their crystal structure a...
<p>The root-mean-square deviations (RMSDs) of MTHase backbone atoms (blue curve) and all the G<sub>3...
<p>RMSDs were calculated for the main-chain atoms, using the initial, energy minimized structure as ...
<p>a) Apo_form, b) SIRT2 bound with substrate/NAD<sup>+</sup>, and c) SIRT2 with inhibitor.</p
<p>RMSD respect to the starting structures, homology models, of hD<sub>3</sub> (black squares) and h...
<p>A) Average of the backbone RMSD (without loops) of ten opening ED simulations. The open crystal s...
<p>A. Plot of root mean square deviation (RMSD) of model 1L P<sub>core</sub> Cα atoms versus simulat...
<p>(A) Control plots representing the stability of the models during the molecular dynamics run. The...
<p>The RMSD was calculated over the whole simulation process to check the stability of the unmodifie...
<p>Each model displays similar structural variance from the initial configuration. The RMSD for the ...
<p>(A) The backbone atom root mean square deviation (RMSD) for apo, inhibitor bound, apo (truncated)...
<p>RMSD values of the backbone atoms relative to the initial minimized structures as functions of si...
<p>Mean Root Mean Square Fluctuation (RMSF) computed for the C<i>α</i> atoms of the <i>µ</i>OR backb...
<p>Time series of the RMS deviation of Cα atoms from the starting structure in the ADP+Pi/apo and AT...