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Computational Exploration of the Chemical Space Surrounding the Molecules of Life

Meringer, Markus und Cleaves, H. James (2019) Computational Exploration of the Chemical Space Surrounding the Molecules of Life. Science of Early Life Conference 2019, 2019-11-18 - 2019-11-20, Kloster Seeon, Germany.

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Offizielle URL: https://www.cup.lmu.de/oc/trapp/sel2019.html

Kurzfassung

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 the context of their surrounding neighborhood in chemical space. Using unique software tools, so-called structure generators, we are able to exhaustively construct well defined subsets of chemical space. These virtual compound libraries are then computationally analyzed with respect to the physico-chemical properties of their constituents. In this talk some basic mathematical models and computational 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 related to astrobiology exploration missions are outlined.

elib-URL des Eintrags:https://elib.dlr.de/130400/
Dokumentart:Konferenzbeitrag (Vortrag)
Titel:Computational Exploration of the Chemical Space Surrounding the Molecules of Life
Autoren:
AutorenInstitution oder E-Mail-AdresseAutoren-ORCID-iDORCID Put Code
Meringer, MarkusMarkus.Meringer (at) dlr.dehttps://orcid.org/0000-0001-8526-2429NICHT SPEZIFIZIERT
Cleaves, H. JamesEarth-Life Science Institute, Tokyo Institute of TechnologyNICHT SPEZIFIZIERTNICHT SPEZIFIZIERT
Datum:20 November 2019
Referierte Publikation:Nein
Open Access:Ja
Gold Open Access:Nein
In SCOPUS:Nein
In ISI Web of Science:Nein
Status:veröffentlicht
Stichwörter:chemical space, structure generation algorithms, virtual libraries, amino acids, nucleotide analogs, intermediary metabolism, origins of life, astrobiology
Veranstaltungstitel:Science of Early Life Conference 2019
Veranstaltungsort:Kloster Seeon, Germany
Veranstaltungsart:internationale Konferenz
Veranstaltungsbeginn:18 November 2019
Veranstaltungsende:20 November 2019
HGF - Forschungsbereich:Luftfahrt, Raumfahrt und Verkehr
HGF - Programm:Raumfahrt
HGF - Programmthema:Erforschung des Weltraums
DLR - Schwerpunkt:Raumfahrt
DLR - Forschungsgebiet:R EW - Erforschung des Weltraums
DLR - Teilgebiet (Projekt, Vorhaben):R - Explorationsstudien (alt)
Standort: Oberpfaffenhofen
Institute & Einrichtungen:Institut für Methodik der Fernerkundung > Atmosphärenprozessoren
Hinterlegt von: Meringer, Dr.rer.nat. Markus
Hinterlegt am:25 Nov 2019 13:08
Letzte Änderung:24 Apr 2024 20:33

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