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Systems Analysis for Peptide Systems Chemistry

1
School of Chemical & Biomolecular Engineering, Georgia Institute of Technology, Atlanta, GA 30332, USA
2
Department of Chemistry, Emory University, Atlanta, GA 30322, USA
*
Authors to whom correspondence should be addressed.
Received: 13 April 2019 / Revised: 14 June 2019 / Accepted: 25 June 2019 / Published: 1 July 2019
(This article belongs to the Special Issue Modelling Life-Like Behavior in Systems Chemistry)
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Abstract

Living systems employ both covalent chemistry and physical assembly to achieve complex behaviors. The emerging field of systems chemistry, inspired by these biological systems, attempts to construct and analyze systems that are simpler than biology, while still embodying biological design principles. Due to the multiple phenomena at play, it can be difficult to predict which phenomena will dominate and when. Conversely, there may be no single rate-limiting step, but rather a reaction network that is difficult to intuit from a purely experimental approach. Mathematical modeling can help to sort out these issues, although it can be challenging to build such models, especially for assembly kinetics. Numerical and statistical methods can play an important role to facilitate the synergistic and iterative use of modeling and experiment, and should be part of a systems chemistry curriculum. Three case studies are presented here, from our work in peptide-based systems, to illustrate some of the tools available for model construction, model simulation, and experimental design. Examples are provided in which these tools help to evaluate hypotheses, uncover design principles, and design new experiments. View Full-Text
Keywords: dynamic chemical networks; origins of life; peptide dynamic chemical networks; origins of life; peptide
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).
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Grover, M.A.; Hsieh, M.-C.; Lynn, D.G. Systems Analysis for Peptide Systems Chemistry. Life 2019, 9, 55.

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