Crowding-induced interactions of ring polymers

• Published in: Soft matter Vol. 17; no. 1; pp. 16 - 23
• Main Authors: Chauhan, Gaurav, Simpson, Michael L, Abel, Steven M
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry 07.01.2021
• Subjects: Attraction; Biopolymers; Deoxyribonucleic acid; Depletion; DNA; Macromolecules; Plasmids; Polymers; Simulation
• ISSN: 1744-683X; 1744-6848
• DOI: 10.1039/d0sm01847c

Macromolecular crowding and the presence of surfaces can significantly impact the spatial organization of biopolymers. While the importance of crowding-induced depletion interactions in biology has been recognized, much remains to be understood about the effect of crowding on biopolymers such as DNA plasmids. A fundamental problem highlighted by recent experiments is to characterize the impact of crowding on polymer-polymer and polymer-surface interactions. Motivated by the need for quantitative insight, we studied flexible ring polymers in crowded environments using Langevin dynamics simulations. The simulations demonstrated that crowding can lead to compaction of isolated ring polymers and enhanced interactions between two otherwise repulsive polymers. Using umbrella sampling, we determined the potential of mean force (PMF) between two ring polymers as a function of their separation distance at different volume fractions of crowding particles, . An effective attraction emerged at 0.4, which is similar to the degree of crowding in cells. Analogous simulations showed that crowding can lead to strong adsorption of a ring polymer to a wall, with an effective attraction to the wall emerging at a smaller volume fraction of crowders ( 0.2). Our results reveal the magnitude of depletion interactions in a biologically-inspired model and highlight how crowding can be used to tune interactions in both cellular and cell-free systems. Crowding leads to enhanced interactions between ring polymers and promotes adsorption of ring polymers to surfaces.