Quantum mechanical models of components and logic

At the smallest length and timescales, the simulation of artificial cell component systems requires quantum mechanics for a correct description. This applies in particular to the calculation of the correct ordering of molecular orbitals for the photometabolism, but quantum mechanical calculations can also be illuminating for checking conformational aspects of the association of artificial genetic molecules such as PNA with small amphiphile clusters and membranes. Furthermore, quantum mechanical functionalization of artificial cells is conceivable, through the construction of photocontrollable logic gates in single molecules and complexes. The work in this section explores these three separate aspects to determine the potential significance of quantum mechanical calculation for designing and programming artificial cells. While the first two areas provide direct information for the design of experimental systems that were explored in the PACE project, the latter direction is more speculative and outlines som ecalculations for effects that may be used in the functionalization of artificial cells at some stage in the future.


Quantum mechanical computational potential of artificial cells

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