Ideal, best packing, and energy minimizing double helices

TL;DR

This paper computationally investigates optimal double helices focusing on ropelength, packing efficiency, and energy minimization, comparing results with DNA experimental data to understand structural optimality.

Contribution

It introduces a comprehensive computational analysis of double helix optimality using multiple functionals and compares results with biological DNA data.

Findings

Optimal double helices vary with different functionals.

Energy minimizers align closely with DNA structures.

Ropelength and packing results provide insights into helix stability.

Abstract

We study optimal double helices with straight axes (or the fattest tubes around them) computationally using three kinds of functionals; ideal ones using ropelength, best volume packing ones, and energy minimizers using two one-parameter families of interaction energies between two strands of types $r^{-\alpha}$ and $\frac1r\exp(-kr)$. We compare the numerical results with experimental data of DNA.