<p>Lowest (A) and highest (B) RMSd conformation of C3 and A1T3 mutated G-quadruplex sequences during 2 ns MD simulations with respect to the starting structure (2HY9). The DNA is shown in purple (C3) and aquamarine (A1T3) wireframe rendering and its strand as orange cartoon. The K<sup>+</sup> coordinating ions are represented as blue spheres. The RMSd value of each conformation is reported and expressed in Å. </p
<p>Left: GluK2-<i>trans</i> complex; right: GluK2-<i>cis</i> complex. Data obtained from five indepe...
AbstractMolecular dynamics simulations have been applied to the DNA octamer d(GCGCA-GAAC) · d(GTTCGC...
<p>(A) Control plots representing the stability of the models during the molecular dynamics run. The...
<p>(A) 3D structures of the G4–C112 base-pair taken from the three simulations: the wild-type quater...
<p>(A) The RMSD values of the dHax3 and DNA backbone atoms versus simulation time. (B) The probabili...
<p>Simulation 1 is colored in dark green; simulation 2 is colored in light green; simulation 3 in da...
<p>(A) 18mer DNA duplex with 6 A…A mismatches used in the present MD simulation. (B) Time vs RMSD pr...
<p>Conformational changes in DNA G-quadruplex (GQ)-forming regions affect genome function and, thus,...
<p>(<b>A</b>) Backbone RMSD of the APE1-DNA complexes. The ordinate is RMSD (nm), and the abscissa i...
<p>(A) Time vs RMSD profile showing three different ensembles during the 300ns simulation. (B) Carto...
<p>Three representative time course of the RMSD of the nucleosomal DNA from the reference structure ...
<p>RMSD graph shows the deviation of the backbone in the native (blue) and the mutant (green) form o...
<p>(a) The scheme represents the nucleic acid scaffold used in our simulation (numbers denote nucleo...
<p>(A) Summary of oligomeric DNA of <i>HOX11</i> region I, and its mutants used in the study and the...
<p>In (A), RMSD values from the whole construct (NS3<sub>PRO</sub> F, black line) were compared with...
<p>Left: GluK2-<i>trans</i> complex; right: GluK2-<i>cis</i> complex. Data obtained from five indepe...
AbstractMolecular dynamics simulations have been applied to the DNA octamer d(GCGCA-GAAC) · d(GTTCGC...
<p>(A) Control plots representing the stability of the models during the molecular dynamics run. The...
<p>(A) 3D structures of the G4–C112 base-pair taken from the three simulations: the wild-type quater...
<p>(A) The RMSD values of the dHax3 and DNA backbone atoms versus simulation time. (B) The probabili...
<p>Simulation 1 is colored in dark green; simulation 2 is colored in light green; simulation 3 in da...
<p>(A) 18mer DNA duplex with 6 A…A mismatches used in the present MD simulation. (B) Time vs RMSD pr...
<p>Conformational changes in DNA G-quadruplex (GQ)-forming regions affect genome function and, thus,...
<p>(<b>A</b>) Backbone RMSD of the APE1-DNA complexes. The ordinate is RMSD (nm), and the abscissa i...
<p>(A) Time vs RMSD profile showing three different ensembles during the 300ns simulation. (B) Carto...
<p>Three representative time course of the RMSD of the nucleosomal DNA from the reference structure ...
<p>RMSD graph shows the deviation of the backbone in the native (blue) and the mutant (green) form o...
<p>(a) The scheme represents the nucleic acid scaffold used in our simulation (numbers denote nucleo...
<p>(A) Summary of oligomeric DNA of <i>HOX11</i> region I, and its mutants used in the study and the...
<p>In (A), RMSD values from the whole construct (NS3<sub>PRO</sub> F, black line) were compared with...
<p>Left: GluK2-<i>trans</i> complex; right: GluK2-<i>cis</i> complex. Data obtained from five indepe...
AbstractMolecular dynamics simulations have been applied to the DNA octamer d(GCGCA-GAAC) · d(GTTCGC...
<p>(A) Control plots representing the stability of the models during the molecular dynamics run. The...