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MARTINI models for the inner membrane of Acinetobacter baumannii and associated RND transporters

Membrane

Based on MS dataset of Jiang et al:

Jiang, J. H., Hassan, K. A., Begg, S. L., Rupasinghe, T. W. T., Naidu, V., Pederick, V. G., … Eijkelkamp, B. A. (2019). Identification of Novel Acinetobacter baumannii Host Fatty Acid Stress Adaptation Strategies. MBio, 10(1). https://doi.org/10.1128/mBio.02056-18

Three conditions examined

  1. No treatment (untreated)
  2. Treatment with arachidonic acid (AA)
  3. Treatment with docosahexanoic acid (DHA)

Membrane published as part of:

Citation

@article{MacDermott-Opeskin2022,
author = {MacDermott-Opeskin, Hugo I and Panizza, Alessandra and Eijkelkamp, Bart A and O'Mara, Megan L},
doi = {https://doi.org/10.1016/j.bbamem.2022.183908},
issn = {0005-2736},
journal = {Biochimica et Biophysica Acta (BBA) - Biomembranes},
keywords = {Bacterial membranes,Coarse-graining,Membrane biophysical properties,Molecular dynamics,Polyunsaturated fatty acids},
pages = {183908},
title = {{Dynamics of the Acinetobacter baumannii inner membrane under exogenous polyunsaturated fatty acid stress}},
url = {https://www.sciencedirect.com/science/article/pii/S0005273622000487},
year = {2022}
}

RND transporters

RND transporter work published as part of:

M. Zang, H. MacDermott-Opeskin, F.G. Adams, V. Naidu, J.K. Waters, A.B. Carey, A. Ashenden, K.T. McLean, E.B. Brazel, J.-H. Jiang, A. Panizza, C. Trappetti, J.C. Paton, A.Y. Peleg, I. Köper, I.T. Paulsen, K.A. Hassan, M.L. O’Mara, B.A. Eijkelkamp, The Membrane Composition Defines the Spatial Organization and Function of a Major Acinetobacter baumannii Drug Efflux System, MBio. (2021). https://doi.org/10.1128/MBIO.01070-21.

Citation

@article{Zang2021,
doi = {10.1128/mbio.01070-21},
editor = {Bonomo, Robert A.},
issn = {2150-7511},
journal = {mBio},
month = {jun},
number = {3},
publisher = {American Society for Microbiology},
title = {{The membrane composition defines the spatial organization and function of a major Acinetobacter baumannii drug efflux system}},
url = {https://journals.asm.org/doi/10.1128/mBio.01070-21},
volume = {12},
year = {2021}
}

All material is provided under an MIT license. Please cite both of the references above if you use this work.

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  • Python 98.0%
  • Shell 2.0%