Molecular dynamics simulation of an entire cell
Jan A. StevensMolecular Dynamics Group, Groningen Biomolecular Sciences and Biotechnology Institute, University of Groningen, Groningen, NetherlandsFabian GrünewaldMolecular Dynamics Group, Groningen Biomolecular Sciences and Biotechnology Institute, University of Groningen, Groningen, NetherlandsP. A. Marco van TilburgMolecular Dynamics Group, Groningen Biomolecular Sciences and Biotechnology Institute, University of Groningen, Groningen, NetherlandsMelanie KönigMolecular Dynamics Group, Groningen Biomolecular Sciences and Biotechnology Institute, University of Groningen, Groningen, NetherlandsBenjamin R. GilbertDepartment of Chemistry, University of Illinois at Urbana-Champaign, Urbana, Champaign, IL, United StatesTroy A. BrierDepartment of Chemistry, University of Illinois at Urbana-Champaign, Urbana, Champaign, IL, United StatesZane R. ThornburgDepartment of Chemistry, University of Illinois at Urbana-Champaign, Urbana, Champaign, IL, United StatesZaida Luthey‐SchultenDepartment of Chemistry, University of Illinois at Urbana-Champaign, Urbana, Champaign, IL, United StatesSiewert J. MarrinkMolecular Dynamics Group, Groningen Biomolecular Sciences and Biotechnology Institute, University of Groningen, Groningen, Netherlands
2023en
ABI
Аннотация
The ultimate microscope, directed at a cell, would reveal the dynamics of all the cell's components with atomic resolution. In contrast to their real-world counterparts, computational microscopes are currently on the brink of meeting this challenge. In this perspective, we show how an integrative approach can be employed to model an entire cell, the minimal cell, JCVI-syn3A, at full complexity. This step opens the way to interrogate the cell's spatio-temporal evolution with molecular dynamics simulations, an approach that can be extended to other cell types in the near future.
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Цитирования и источники
Цитирований: 2Использованных источников: 0