11 research outputs found
Time evolution of the radius of gyration (R<sub>gyr</sub>) of DNA, dendrimer and the dendrimer-DNA complex for a) PAMAM-Lys and b) PAMAM-Arg.
<p>Time evolution of the radius of gyration (R<sub>gyr</sub>) of DNA, dendrimer and the dendrimer-DNA complex for a) PAMAM-Lys and b) PAMAM-Arg.</p
Details of the molecular systems reported in this article.
<p>Details of the molecular systems reported in this article.</p
Contribution of each nitrogenous base to the interaction with Arginine/Lysine terminal groups of the dendrimers.
<p>100% corresponds to the total number of contacts established only with bases of DNA (not including interaction with sugar or phosphate groups).</p
Snapshots of the last conformation of Dendrimer- DNA complexes, taken at 180 ns of MD simulations.
<p>a) PAMAM-Arg and b) PAMAM-Lys.</p
Distance between center of mass (COM) of DNA and dendrimers as a function of time.
<p>PAMAM-Arg shows a shorter distance to DNA towards the end of MD simulations.</p
Hydrogen-bond interactions (expressed in percentages) established between amino acid type and each DNA base (Adenine, Guanine, Cytosine, Thymine).
<p>Percentages were normalized considering the total number of hydrogen-bond interactions established only with bases found in protein-dsDNA complexes.</p
van der Waals interactions (expressed in percentages) established between amino acid types and each DNA base (Adenine, Guanine, Cytosine, Thymine).
<p>Percentages were normalized considering the total number of van der Waals interactions established only with bases found in protein-dsDNA complexes.</p
van der Waals interactions (expressed in percentages) established between each amino acid type and bases, sugar and phosphate DNA groups.
<p>Percentages were normalized considering the total number of van der Waals interactions found in protein-dsDNA complexes.</p
Hydrogen-bond interactions (expressed in percentage) established between each amino acid type and bases, sugar and phosphate DNA groups.
<p>Percentages were normalized considering the total number of hydrogen-bond interactions found in protein-dsDNA complexes.</p