title: An extended cellular space method for simulating autocatalytic oligonucleotides.
abstract: Self-replicating nucleotides and other self-replicating molecules are an active area of study today by organic chemists. Such studies are important for improving our understanding of the origins of life. Computational studies of self-replicating molecules could increase our insight into their properties, but existing computational techniques have been limited in their usefulness for such reactions (numerical simulation of differential equations requires reaction rate constants that are difficult to obtain, cellular automata models are too restrictive for modeling molecular movements and bindings, etc.). We have thus developed an efficient modified cellular automata method that supports the study of self-replicating oligonucleotides. We explain this method and illustrate its use with a specific self-replicating (autocatalytic) deoxyribohexanucleotide.
authors.affiliation: Department of Computer Science, University of Maryland at College Park 20742.
authors.forename: H H
authors.initials: HH
authors.lastname: Chou
authors.forename: J A
authors.initials: JA
authors.lastname: Reggia
authors.forename: R
authors.initials: R
authors.lastname: Navarro-González
authors.forename: J
authors.initials: J
authors.lastname: Wu
mesh_terms: D000465:Algorithms; D001483:Base Sequence; D002384:Catalysis; D003198:Computer Simulation; D004261:DNA Replication; D003658:Decision Making, Computer-Assisted; D008969:Molecular Sequence Data; D009690:Nucleic Acid Conformation; D009841:Oligonucleotides / Q000737:chemistry*; D012984:Software
chemical_list: D009841:Oligonucleotides