Figures & data
Figure 1. (A) Schematic representation of the CCNCCOCCOCCNH3 + group (amino derivative DR+). (B) The C60 fullerene functionalized by DR+ group. This Figure is reproduced in colour in Molecular Membrane Biology online.
Figure 2. Potentials of mean force for transmembrane translocation of C60 functionalized by amino derivative in charged (C60-DR+) and neutral (C60-DR) states and free amino derivative in charged (DR+) and neutral (DR) states. This Figure is reproduced in colour in Molecular Membrane Biology online.
Figure 3. Positions of C60 and the aminogroup of DR+ in different umbrella sampling windows. Average positions of the phosphate groups of the upper membrane leaflet are shown.
Figure 4. Positions of C60 and the aminogroup of DR in different umbrella sampling windows. Average positions of the phosphate groups of the upper membrane leaflet are shown.
Figure 5. Diffusion coefficients of the studied compounds in selected umbrella sampling windows.
