Evolutionary design of a DDPD model of ligation

  • Authors:
  • Mark A. Bedau;Andrew Buchanan;Gianluca Gazzola;Martin Hanczyc;Thomas Maeke;John McCaskill;Irene Poli;Norman H. Packard

  • Affiliations:
  • Protolife S.r.l., Marghera, Venezia, Italy;Protolife S.r.l., Marghera, Venezia, Italy;Protolife S.r.l., Marghera, Venezia, Italy;Protolife S.r.l., Marghera, Venezia, Italy;European Center for Living Technology, Venezia, Italy;European Center for Living Technology, Venezia, Italy;European Center for Living Technology, Venezia, Italy;Protolife S.r.l., Marghera, Venezia, Italy

  • Venue:
  • EA'05 Proceedings of the 7th international conference on Artificial Evolution
  • Year:
  • 2005

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Abstract

Ligation is a form of chemical self-assembly that involves dynamic formation of strong covalent bonds in the presence of weak associative forces. We study an extremely simple form of ligation by means of a dissipative particle dynamics (DPD) model extended to include the dynamic making and breaking of strong bonds, which we term dynamically bonding dissipative particle dynamics (DDPD). Then we use a chemical genetic algorithm (CGA) to optimize the model's parameters to achieve a limited form of ligation of trimers—a proof of principle for the evolutionary design of self-assembling chemical systems.