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

doi:10.1016/j.cell.2019.10.021

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Article

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

Cell - 14 Nov 2019

Singharoy Abhishek, Maffeo Christopher, Delgado-Magnero Karelia H, Swainsbury David J K, Sener Melih, Kleinekathöfer Ulrich, Vant John W, Nguyen Jonathan, Hitchcock Andrew, Isralewitz Barry, Teo Ivan, Chandler Danielle E, Stone John E, Phillips James C, Pogorelov Taras V, Mallus M Ilaria, Chipot Christophe, Luthey-Schulten Zaida, Tieleman D Peter, Hunter C Neil, Tajkhorshid Emad, Aksimentiev Aleksei, Schulten Klaus

Abstract excerpt

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...

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PMID: 31730852
DOI: 10.1016/j.cell.2019.10.021
PMCID: PMC7075482

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