Multiscale Graph-Theoretic Modeling of Biomolecular Structures (original) (raw)

Algebraic and Combinatorial Computational Biology, 2019

Abstract

Abstract Biological structures and phenomena often operate at multiple scales, and investigating important biological problems effectively often involves understanding these different scales and how they interact. However, the biological data often look very different depending on the scale of investigation, thereby making different modeling tools more or less effective. In this chapter, we present two case studies that focused on RNA and protein structures, describing how a variety of graph-theoretic tools that have been used to understand the folding, functioning, and evolution of these biomolecular structures at a variety of scales. In addition to introducing readers to specific graph-theoretic tools, the chapter aims to use these case studies as exemplars of modeling at different scales.

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