<p>Root mean square deviation (RMSD) for each enzyme variant has been averaged over three independent MD runs. The mean and standard deviation are shown in angstroms. N<sub>res</sub> – number of amino acid residues in a structural unit. Δ<sub>RMSD</sub> = RMSD<sub>Dβ484N</sub> – RMSD<sub>WT</sub> and <i>f</i> = <i>f</i>(RMSD<sub>Dβ484N</sub> ≥ RMSD<sub>WT</sub>) were calculated as explained in <a href="http://www.plosone.org/article/info:doi/10.1371/journal.pone.0100643#s4" target="_blank">Methods</a>, section 2. Lower <i>f</i> values indicate a significant stabilizing effect of the mutation compared to the wild type enzyme while Δ<sub>RMSD</sub> estimates the degree of stabilization.</p
<p>Root-mean-square deviations (RMSD) of the Cα atoms (from their positions in the energy minimized ...
In this study we investigated the application of algorithm models employed to predict the effect of ...
<p>(A) Root mean square deviation (RMSD) and (B) average root mean square fluctuation (RMSF) of resi...
<p>(A) The enzyme backbones. (B) The pentagalacturonic acid. Each simulation was repeated three time...
<p>(A) The RMSF value of each residue C<sub>α</sub> atom of the wild type PG8fn (black) and mutants ...
<p>For all the predictions, pH and temperature were selected as 7.0 and 25°C, respectively. WT: Wild...
<p>The RMSD was calculated over the whole simulation process to check the stability of the unmodifie...
<p>The trend obtained from EhSAT1 & EhSAT3 showing slightly higher rmsd’s for the mutants compared t...
<p>Comparison between the amino acid sequences of Mec1, Rad3, yKu70, and Rad18 was conducted between...
<p>Comparison of the average RMSD values in the mutant regions (within 5Å distance from the disulfid...
<p>(A) Control plots representing the stability of the models during the molecular dynamics run. The...
(A, B) Cross-correlation (Pearson correlation) of RMSD values of each domain for wild type and D170A...
<p>(<b>A</b>) C root mean square fluctuations of mutants compared to the wild-type. The values repor...
<p>(<b>a</b>) Average backbone RMSF profiles in the reactant state for native bovine trypsin and the...
<p>RMSE of the linear regression through the origin between experimental and predicted variations in...
<p>Root-mean-square deviations (RMSD) of the Cα atoms (from their positions in the energy minimized ...
In this study we investigated the application of algorithm models employed to predict the effect of ...
<p>(A) Root mean square deviation (RMSD) and (B) average root mean square fluctuation (RMSF) of resi...
<p>(A) The enzyme backbones. (B) The pentagalacturonic acid. Each simulation was repeated three time...
<p>(A) The RMSF value of each residue C<sub>α</sub> atom of the wild type PG8fn (black) and mutants ...
<p>For all the predictions, pH and temperature were selected as 7.0 and 25°C, respectively. WT: Wild...
<p>The RMSD was calculated over the whole simulation process to check the stability of the unmodifie...
<p>The trend obtained from EhSAT1 & EhSAT3 showing slightly higher rmsd’s for the mutants compared t...
<p>Comparison between the amino acid sequences of Mec1, Rad3, yKu70, and Rad18 was conducted between...
<p>Comparison of the average RMSD values in the mutant regions (within 5Å distance from the disulfid...
<p>(A) Control plots representing the stability of the models during the molecular dynamics run. The...
(A, B) Cross-correlation (Pearson correlation) of RMSD values of each domain for wild type and D170A...
<p>(<b>A</b>) C root mean square fluctuations of mutants compared to the wild-type. The values repor...
<p>(<b>a</b>) Average backbone RMSF profiles in the reactant state for native bovine trypsin and the...
<p>RMSE of the linear regression through the origin between experimental and predicted variations in...
<p>Root-mean-square deviations (RMSD) of the Cα atoms (from their positions in the energy minimized ...
In this study we investigated the application of algorithm models employed to predict the effect of ...
<p>(A) Root mean square deviation (RMSD) and (B) average root mean square fluctuation (RMSF) of resi...