<p>A dot for each conformation in each of the four simulations is represented differentiating the simulations with different colors (see above). For each dot, the abscissa defines the distance between the two helices which is calculated as the norm of the vector perpendicular to both helices axes. The ordinate defines the distance between the mass centers of both helices projected onto a plane parallel to both helices axes. Simulation 1 is colored in dark green, simulation 2 is colored in light green, simulation 3 in dark blue and simulation 4 in light blue.</p
(A) Intermolecular β-sheets and (B) helices. Different colors mean the results obtained from six dif...
<p>Each point represents a conformational state at a simulation time shown by the color code.</p
<p>Interhelical angles (A) and interhelical distances (B) between helix2 and helix3 in Smad1 along w...
<p>A dot for each conformation in each of the four simulations is represented differentiating the si...
<p>(a) The average conformation of the first half of the simulation 1 is colored in pink, and (b) th...
<p>Conformations from the restrained simulation are colored in brown, conformations from simulation ...
<p>Simulation 1 is colored in dark green; simulation 2 is colored in light green; simulation 3 in da...
<p>Each light blue point in each panel corresponds to a data point. Green line: x = y. Inner axis la...
<p>(A) Average distance between the center of mass of bulk subunits along the four GC-T4P 4-start he...
<p>The visual superpositions for average structures of Smad4+DNA+Smad1 (light blue) and Smad1+DNA+Sm...
<p>a) Helical lengths based on the entire MD simulation for apo structure are reported in red, and h...
<p>Color coded by starting conformation during the final 17 ns of the simulation. Initial conformati...
a) and b) Atom-positional RMSD (Å) from the starting structures as observed during the two represent...
<p>Distribution of structures from 17500 frames artificial trajectory (frame set #2) in clusters (y ...
<p>Ideal Positive (green, upper row) and Negative (red, mid row) Classification Orientation Plots co...
(A) Intermolecular β-sheets and (B) helices. Different colors mean the results obtained from six dif...
<p>Each point represents a conformational state at a simulation time shown by the color code.</p
<p>Interhelical angles (A) and interhelical distances (B) between helix2 and helix3 in Smad1 along w...
<p>A dot for each conformation in each of the four simulations is represented differentiating the si...
<p>(a) The average conformation of the first half of the simulation 1 is colored in pink, and (b) th...
<p>Conformations from the restrained simulation are colored in brown, conformations from simulation ...
<p>Simulation 1 is colored in dark green; simulation 2 is colored in light green; simulation 3 in da...
<p>Each light blue point in each panel corresponds to a data point. Green line: x = y. Inner axis la...
<p>(A) Average distance between the center of mass of bulk subunits along the four GC-T4P 4-start he...
<p>The visual superpositions for average structures of Smad4+DNA+Smad1 (light blue) and Smad1+DNA+Sm...
<p>a) Helical lengths based on the entire MD simulation for apo structure are reported in red, and h...
<p>Color coded by starting conformation during the final 17 ns of the simulation. Initial conformati...
a) and b) Atom-positional RMSD (Å) from the starting structures as observed during the two represent...
<p>Distribution of structures from 17500 frames artificial trajectory (frame set #2) in clusters (y ...
<p>Ideal Positive (green, upper row) and Negative (red, mid row) Classification Orientation Plots co...
(A) Intermolecular β-sheets and (B) helices. Different colors mean the results obtained from six dif...
<p>Each point represents a conformational state at a simulation time shown by the color code.</p
<p>Interhelical angles (A) and interhelical distances (B) between helix2 and helix3 in Smad1 along w...