Building up DNA, bit by bit: a simple description of chain assembly

We simulate the assembly of DNA copolymers from two types of short duplexes (short double strands with a single-stranded overhang at each end), as described by the oxDNA model. We find that the statistics of chain lengths can be well reproduced by a simple theory that treats the association of parti...

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Bibliographic Details
Published in:	Soft matter Vol. 17; no. 47; p. 10736
Main Authors:	Foffi, R, Sciortino, F, Tavares, J M, Teixeira, P I C
Format:	Journal Article
Language:	English
Published:	England 08-12-2021
Subjects:	DNA Polymerization Polymers Thermodynamics
Online Access:	Get more information
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Summary:	We simulate the assembly of DNA copolymers from two types of short duplexes (short double strands with a single-stranded overhang at each end), as described by the oxDNA model. We find that the statistics of chain lengths can be well reproduced by a simple theory that treats the association of particles into ideal ( , non-interacting) clusters as a reversible chemical reaction. The reaction constants can be predicted either from SantaLucia's theory or from Wertheim's thermodynamic perturbation theory of association for spherical patchy particles. Our results suggest that theories incorporating very limited molecular detail may be useful for predicting the broad equilibrium features of copolymerisation.
ISSN:	1744-6848
DOI:	10.1039/d1sm01130h