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Generation of Molecular Graphs and Applications in Astrobiology

Meringer, Markus (2017) Generation of Molecular Graphs and Applications in Astrobiology. EON Workshop on Computational Chemistry: From Components to Systems and Back, 10.-13. Okt. 2017, Tokyo, Japan.

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Official URL: http://eon.elsi.jp/the-eon-workshop-on-computational-chemistry-from-components-to-systems-and-back/


How the transition of disorganized, inanimate matter to organized, living systems took place on our planet and might have occurred on other bodies of our solar system or elsewhere in the universe is one of the fundamental questions studied in the field of Astrobiology. The only instance of life known so far is the terrestrial one, and all living organisms on Earth share many of the same biochemical foundations with respect to reproduction and metabolism. These biochemical foundations rely on a small pool of biomolecules, which represent a minute subset of plausible structural analogs, which themselves form only a very small fraction of all possible chemical compounds in chemical space. We believe that one key to understanding the origins of life is to study biomolecules in context of their surrounding neighborhood in chemical space. Using unique software tools, so-called structure generators, we are able to construct well defined subsets of chemical space exhaustively. These virtual compound libraries are then computationally analyzed with respect to the physico-chemical properties of their constituents. In this talk some basic algorithmic aspects of generating molecular structures are presented, results concerning the amino acid alphabet, nucleotide analogs and the core of intermediary metabolism are summarized, and perspectives of ongoing studies are outlined.

Item URL in elib:https://elib.dlr.de/116468/
Document Type:Conference or Workshop Item (Speech)
Title:Generation of Molecular Graphs and Applications in Astrobiology
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
Meringer, MarkusMarkus.Meringer (at) dlr.dehttps://orcid.org/0000-0001-8526-2429
Date:10 October 2017
Refereed publication:No
Open Access:Yes
Gold Open Access:No
In ISI Web of Science:No
Keywords:astrobiology, biomolecule, molecular graph, algorithm
Event Title:EON Workshop on Computational Chemistry: From Components to Systems and Back
Event Location:Tokyo, Japan
Event Type:Workshop
Event Dates:10.-13. Okt. 2017
Organizer:Earth-Life Science Institute, Tokyo Institute of Technology
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Space
HGF - Program Themes:Space Exploration
DLR - Research area:Raumfahrt
DLR - Program:R EW - Space Exploration
DLR - Research theme (Project):R - Vorhaben Planetary Evolution and Life (old)
Location: Oberpfaffenhofen
Institutes and Institutions:Remote Sensing Technology Institute > Atmospheric Processors
Deposited By: Meringer, Dr.rer.nat. Markus
Deposited On:15 Dec 2017 09:18
Last Modified:31 Jul 2019 20:13

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