Designing a DNA-nanorobot

In this work, we study a DNA-based, self-assembling nanorobot and enable its use for directed molecular transport. We use coarse-grained molecular dynamics simulations to study mechanical properties of the joint that connects the moving nanorobotic arm to an immobilized baseplate. Our results corroborate the experimental finding that the joint acts as a molecular torsion spring that is capable of storing mechanical energy. Our simulations give first insights to the mechanical and energetical details of this behavior. We conceived a strategy to use the nanorobot to pick up, transport and drop off individual DNA cargo strands. The intended pick-up mechanism was evaluated in another series of molecular dynamics simulations, which we massively parallelized for this purpose. Based on the obtained results, we designed sequences of DNA cargo strands and of the corresponding DNA handles to be attached to the nanorobotic arm and platform, respectively. In the last part of this thesis, we describe the first experimental realization of this transport mechanism, which is observed using fast super-resolution microscopy. Download thesis