Review
Version 1
Preserved in Portico This version is not peer-reviewed
Protobiotic Systems Chemistry Analyzed by Molecular Dynamics
Version 1
: Received: 16 April 2019 / Approved: 17 April 2019 / Online: 17 April 2019 (11:29:27 CEST)
A peer-reviewed article of this Preprint also exists.
Kahana, A.; Lancet, D. Protobiotic Systems Chemistry Analyzed by Molecular Dynamics. Life 2019, 9, 38. Kahana, A.; Lancet, D. Protobiotic Systems Chemistry Analyzed by Molecular Dynamics. Life 2019, 9, 38.
Abstract
Systems Chemistry has been a key component of origin of life research, invoking models of life’s inception based on evolving molecular networks. One such model is the Graded Autocatalysis Replication Domain (GARD) formalism embodied in a Lipid World scenario, which offers rigorous computer simulation based on defined chemical kinetics equations. GARD suggests that the first pre-RNA life-like entities could have been homeostatically-growing assemblies of amphiphiles, undergoing compositional replication and mutations, as well as rudimentary selection and evolution. Recent progress in Molecular Dynamics has provided an experimental tool to study complex biological phenomena such as protein folding, ligand-receptor interactions and micellar formation, growth and fission. The detailed molecular definition of GARD and its inter-molecular catalytic interactions make it highly compatible with Molecular Dynamics analyses. We present a roadmap for simulating GARD’s kinetic and thermodynamic behavior using various Molecular Dynamics methodologies. We review different approaches for testing the validity of the GARD model, by following micellar accretion and fission events and examining compositional changes over time. Near future computational advances could provide empirical delineation for further system complexification, from simple compositional non-covalent assemblies towards more life-like protocellular entities with covalent chemistry that underlies metabolism and genetic encoding.
Keywords
systems chemistry; systems protobiology; molecular dynamics; GARD; lipid world; micelle; origin of life
Subject
Chemistry and Materials Science, Theoretical Chemistry
Copyright: 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.
Comments (0)
We encourage comments and feedback from a broad range of readers. See criteria for comments and our Diversity statement.
Leave a public commentSend a private comment to the author(s)
* All users must log in before leaving a comment
