Evidence map›Paper›PMID 31730852›Full record

ArticleCell2019

Atoms to Phenotypes: Molecular Design Principles of Cellular Energy Metabolism.

Abhishek Singharoy, Christopher Maffeo, Karelia H Delgado-Magnero, David J K Swainsbury, Melih Sener, Ulrich Kleinekathöfer, John W Vant, Jonathan Nguyen, Andrew Hitchcock, Barry Isralewitz and 13 more

Open access · bronzeAbstract read
In one paragraph

Article in Cell, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 86 papers.

0numbers the graph read from it
0cells of the map it votes in
86citing papers in PubMed
8.6field-weighted citation impact, top 2% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

86 citing papers in PubMed, 187 citations in OpenAlex.

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  15. Trehalose Interferes with the Photosynthetic Electron Transfer Chain ofInternational journal of molecular sciences · 2024
    Article
  16. BaNDyT: Bayesian Network modeling of molecular Dynamics Trajectories.bioRxiv : the preprint server for biology · 2024
    Article
  17. Article
  18. Article
  19. Tuning by Hydrogen Bonding in Photosynthesis.The journal of physical chemistry. B · 2024
    Article
  20. Article

26 more citing papers are in PubMed but not listed here.

4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

23 authors at 6 institutions in 5 countries.

Abhishek SingharoySchool of Molecular Sciences, Center for Applied Structural Discovery, Arizona State University at Tempe, Tempe, AZ 85282, USA. Electronic address: asinghar@asu.edu.
Christopher MaffeoDepartment of Physics, NSF Center for the Physics of Living Cells, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA; Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA.
Karelia H Delgado-MagneroCentre for Molecular Simulation and Department of Biological Sciences, University of Calgary, Calgary, AB T2N 1N4, Canada.
David J K SwainsburyDepartment of Molecular Biology and Biotechnology, University of Sheffield, Sheffield S10 2TN, UK.
Melih SenerBeckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA.
Ulrich KleinekathöferDepartment of Physics and Earth Sciences, Jacobs University Bremen, 28759 Bremen, Germany.
John W VantSchool of Molecular Sciences, Center for Applied Structural Discovery, Arizona State University at Tempe, Tempe, AZ 85282, USA.
Jonathan NguyenSchool of Molecular Sciences, Center for Applied Structural Discovery, Arizona State University at Tempe, Tempe, AZ 85282, USA.
Andrew HitchcockDepartment of Molecular Biology and Biotechnology, University of Sheffield, Sheffield S10 2TN, UK.
Barry IsralewitzBeckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA.
Ivan TeoBeckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA.
Danielle E ChandlerBeckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA.
John E StoneBeckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA.
James C PhillipsBeckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA.
Taras V PogorelovBeckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA; Department of Chemistry, School of Chemical Sciences, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA; Center for Biophysics and Quantitative Biology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA; National Center for Supercomputing Applications, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA.
M Ilaria MallusDepartment of Physics and Earth Sciences, Jacobs University Bremen, 28759 Bremen, Germany.
Christophe ChipotDepartment of Physics, NSF Center for the Physics of Living Cells, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA; Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA; Laboratoire International Associé CNRS-UIUC, UMR 7019, Université de Lorraine, 54506 Vandœuvre-lès-Nancy, France.
Zaida Luthey-SchultenDepartment of Physics, NSF Center for the Physics of Living Cells, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA; Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA; Department of Chemistry, School of Chemical Sciences, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA; Center for Biophysics and Quantitative Biology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA.
D Peter TielemanCentre for Molecular Simulation and Department of Biological Sciences, University of Calgary, Calgary, AB T2N 1N4, Canada.
C Neil HunterDepartment of Molecular Biology and Biotechnology, University of Sheffield, Sheffield S10 2TN, UK. Electronic address: c.n.hunter@sheffield.ac.uk.
Emad TajkhorshidBeckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA; Center for Biophysics and Quantitative Biology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA; Departments of Biochemistry, Chemistry, Bioengineering, and Pharmacology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA. Electronic address: emad@life.illinois.edu.
Aleksei AksimentievDepartment of Physics, NSF Center for the Physics of Living Cells, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA; Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA; Center for Biophysics and Quantitative Biology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA. Electronic address: aksiment@illinois.edu.
Klaus SchultenDepartment of Physics, NSF Center for the Physics of Living Cells, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA; Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL 61801, USA.
University of Illinois Urbana-Champaign · USArizona State University · USUniversity of Sheffield · GBConstructor University · DEUniversity of Calgary · CACentre National de la Recherche Scientifique · FR

Funding

WHOLE CELL SIMULATIONP41GM104601 · NIGMS · UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN · PI TAJKHORSHID, EMAD · 2012 to 2021
$19.0M
Resource for Macromolecular Modeling and VisualizationR24GM145965 · NIGMS · UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN · PI Emad Tajkhorshid · 2022 to 2026
$6.2M
System-Level Simulation of a Bioenergetic MembraneR01GM067887 · NIGMS · UNIVERSITY OF ILLINOIS URBANA-CHAMPAIGN · PI TAJKHORSHID, EMAD · 2003 to 2018
$4.0M
Biotechnology and Biological Sciences Research Council BB/M000265/1European Research CouncilNIGMS NIH HHS P41 GM104601NIGMS NIH HHS R01 GM067887NIGMS NIH HHS R24 GM145965
6 · The paper itself

Abstract

We report a 100-million atom-scale model of an entire cell organelle, a photosynthetic chromatophore vesicle from a purple bacterium, that reveals the cascade of energy conversion steps culminating in the generation of ATP from sunlight. Molecular dynamics simulations of this vesicle elucidate how the integral membrane complexes influence local curvature to tune photoexcitation of pigments. Brownian dynamics of small molecules within the chromatophore probe the mechanisms of directional charge transport under various pH and salinity conditions. Reproducing phenotypic properties from atomistic details, a kinetic model evinces that low-light adaptations of the bacterium emerge as a spontaneous outcome of optimizing the balance between the chromatophore's structural integrity and robust energy conversion. Parallels are drawn with the more universal mitochondrial bioenergetic machinery, from whence molecular-scale insights into the mechanism of cellular aging are inferred. Together, our integrative method and spectroscopic experiments pave the way to first-principles modeling of whole living cells.

Indexed as

Energy MetabolismAdaptation, PhysiologicalAdenosine TriphosphateBenzoquinonesCell MembraneCellsChromatophoresCytochromes c2DiffusionElectron TransportEnvironmentHydrogen BondingKineticsLightMolecular Dynamics SimulationPhenotypeAdenosine TriphosphateBenzoquinonesCytochromes c2Proteinsquinonebioenergeticsbiological membranescharge transportchromatophoreintegrative modelMDmitochondriamolecular dynamics simulationoptical spectroscopyphotosynthesis

Identifiers

PMID31730852
PMCPMC7075482
OpenAlexW2927778654

What OpenQuestion holds

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.