Planar nucleic acid base super-structures

Abstract

The nucleic acid base molecules have demonstrated in surface probe microscopy (SPM) experiments the ability to form complex super-structures on crystal surfaces ranging from periodic to disordered structures, which are stabilised primarily by the hydrogen bonding between the molecules. Due to the molecular resolution of SPM, theoretical insight is essential in understanding the actual structures these molecules form in atomic detail. This knowledge is essential in applications, e.g. in nanotechnology. This article reviews recent advances in theoretical methodology that should assist in the understanding of atomistic structures seen in experiments. Specifically, we highlight a unified approach, when molecules are thought of as “LEGO pieces” that can be attached to each other following certain rules, so that all possible structures can be generated.