Ontology highlight
ABSTRACT:
SUBMITTER: Warnau J
PROVIDER: S-EPMC6130342 | biostudies-literature | 2018 Sep
REPOSITORIES: biostudies-literature
Warnau Judith J Sharma Vivek V Gamiz-Hernandez Ana P AP Di Luca Andrea A Haapanen Outi O Vattulainen Ilpo I Wikström Mårten M Hummer Gerhard G Kaila Ville R I VRI
Proceedings of the National Academy of Sciences of the United States of America 20180817 36
Complex I couples the free energy released from quinone (Q) reduction to pump protons across the biological membrane in the respiratory chains of mitochondria and many bacteria. The Q reduction site is separated by a large distance from the proton-pumping membrane domain. To address the molecular mechanism of this long-range proton-electron coupling, we perform here full atomistic molecular dynamics simulations, free energy calculations, and continuum electrostatics calculations on complex I fro ...[more]