<p>(A) Plot comparing the minimum and maximum simulated <i>T</i><sub>m</sub> values, for each residue across all 19 simulated mutants. <i>T</i><sub>m</sub> is normalized to WT, by dividing each <i>T</i><sub>m</sub> value by the simulated WT <i>T</i><sub>m</sub> = 1.489 simulation units. Outliers are circled in purple (left), green (middle) and orange (right). (B) DHFR with outlier residues colored according to the color scheme from (A). Purple: residues F153, W30, Y111, L156, L110. Green: residues A107, I155, L112, H114. Orange: residues A6, E154. Excluding outlier residues, the C-terminal beta hairpin is colored yellow, and the rest of the protein is colored cyan.</p
<p>Difference in average C<sub>α</sub>-RMSD of β-tubulin residues of tubulin mutants and the WT (lef...
<p>The top row shows wild-type proteins and the bottom shows each protein's corresponding mutant. Di...
<p>(<b>A</b>) MD conformations taken at 14, 26, 38 and 50 ns of two 50-ns MD simulations of KIT D816...
<p>The average RMSF of the mutated residues for 10 ns are plotted in 2D bar graph. The bars in gray ...
<p>The structures are colored according to the difference RMSF values. Colors used are purple, more ...
<p>(<b>A</b>) C root mean square fluctuations of mutants compared to the wild-type. The values repor...
<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) Example of structure-based MSH2 saturation mutagenesis energy calculations shown as a heat-ma...
<p>(A) Handle-region distance distributions for ecRNH WT (top) and V98A (bottom), illustrating the p...
<p>(A) Residue root mean square fluctuations (RMSF) are provided for the six molecular dynamics traj...
<p>(<b>A</b>) The RMSFs computed on the carbon and nitrogen backbone atoms over the total production...
Motivation: There is a need for an efficient and accurate computational method to identify the effec...
Motivation: Bioinformatics tools that predict protein stability changes upon point mutations have ma...
a<p>Each mutation is considered to have mainly functional (F) or structural (F) impact according to ...
<p>In each case the mutant structure refined by minimization is shown in cyan and the mutant structu...
<p>Difference in average C<sub>α</sub>-RMSD of β-tubulin residues of tubulin mutants and the WT (lef...
<p>The top row shows wild-type proteins and the bottom shows each protein's corresponding mutant. Di...
<p>(<b>A</b>) MD conformations taken at 14, 26, 38 and 50 ns of two 50-ns MD simulations of KIT D816...
<p>The average RMSF of the mutated residues for 10 ns are plotted in 2D bar graph. The bars in gray ...
<p>The structures are colored according to the difference RMSF values. Colors used are purple, more ...
<p>(<b>A</b>) C root mean square fluctuations of mutants compared to the wild-type. The values repor...
<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) Example of structure-based MSH2 saturation mutagenesis energy calculations shown as a heat-ma...
<p>(A) Handle-region distance distributions for ecRNH WT (top) and V98A (bottom), illustrating the p...
<p>(A) Residue root mean square fluctuations (RMSF) are provided for the six molecular dynamics traj...
<p>(<b>A</b>) The RMSFs computed on the carbon and nitrogen backbone atoms over the total production...
Motivation: There is a need for an efficient and accurate computational method to identify the effec...
Motivation: Bioinformatics tools that predict protein stability changes upon point mutations have ma...
a<p>Each mutation is considered to have mainly functional (F) or structural (F) impact according to ...
<p>In each case the mutant structure refined by minimization is shown in cyan and the mutant structu...
<p>Difference in average C<sub>α</sub>-RMSD of β-tubulin residues of tubulin mutants and the WT (lef...
<p>The top row shows wild-type proteins and the bottom shows each protein's corresponding mutant. Di...
<p>(<b>A</b>) MD conformations taken at 14, 26, 38 and 50 ns of two 50-ns MD simulations of KIT D816...