| Autor: |
Emad Tajkhorshid, Danielle E. Chandler, Christopher Maffeo, Christophe Chipot, Barry Isralewitz, Ulrich Kleinekathöfer, Klaus Schulten, Melih Sener, David J. K. Swainsbury, Aleksei Aksimentiev, P. Tieleman, Zaida Luthey-Schulten, Karelia H. Delgado-Magnero, Abhishek Singharoy, Taras V. Pogorelov, John E. Stone, M. I. Mallus, John Vant, C. N. Hunter, James C. Phillips, Ivan Teo |
| Rok vydání: |
2019 |
| Předmět: |
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| Zdroj: |
SSRN Electronic Journal. |
| ISSN: |
1556-5068 |
| Popis: |
We report the first 100-million atom-scale model of an entire cell organelle, a photosynthetic chromatophore vesicle from a purple bacterium, which reveals the cascade of energy-conversionsteps culminating into the generation of ATP from sunlight. Molecular dynamics simulations ofthis vesicle elucidate how the integral-membrane complexes influences local curvature as a ployto 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 rate-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 on the mechanism of cellular aging are inferred. Altogether, our integrative method and spectroscopic experiments pave the way to first-principles modeling of whole living cells. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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