Fig. 2
From: In silico decrypting of the bystander effect in antibody–drug conjugates for breast cancer therapy
The bystander effect and the in silico approach in this study. (a) Schematic representation of the bystander effect. (b) Detail of a model of lipid bilayer: The lipid bilayer structure used in all cases corresponds to 64 Palmitoyl Oleoyl Phosphatidyl Choline (POPC). Image created using VMD software version 1.9.4. (c) Final snapshot of the production MD simulation for DM1 and MMAF payloads. Payload molecules are represented by VDW spheres, colored by atom type. POPC lipids are depicted as lines with the same coloring criterion and water is shown as a cyan surface representation. (d) Mass density profiles for the three payload systems. Profiles for the payload molecules were multiplied by ten to allow a better visualization: POPC in black, payload in red, and water in blue.
