Ontology highlight
ABSTRACT:
SUBMITTER: Singharoy A
PROVIDER: S-EPMC7075482 | biostudies-literature | 2019 Nov
REPOSITORIES: biostudies-literature
Singharoy Abhishek A Maffeo Christopher C Delgado-Magnero Karelia H KH Swainsbury David J K DJK Sener Melih M Kleinekathöfer Ulrich U Vant John W JW Nguyen Jonathan J Hitchcock Andrew A Isralewitz Barry B Teo Ivan I Chandler Danielle E DE Stone John E JE Phillips James C JC Pogorelov Taras V TV Mallus M Ilaria MI Chipot Christophe C Luthey-Schulten Zaida Z Tieleman D Peter DP Hunter C Neil CN Tajkhorshid Emad E Aksimentiev Aleksei A Schulten Klaus K
Cell 20191101 5
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 t ...[more]