Molecular dynamics simulations informed by membrane lipidomics reveal the structure-interaction relationship of polymyxins with the lipid A-based outer membrane of Acinetobacter baumannii

Jiang, Xukai, Yang, Kai, Yuan, Bing, Han, Meiling, Zhu, Yan, Roberts, Kade D., Patil, Nitin A., Li, Jingliang, Gong, Bin, Hancock, Robert E. W., Velkov, Tony, Schreiber, Falk, Wang, Lushan and Li, Jian 2020, Molecular dynamics simulations informed by membrane lipidomics reveal the structure-interaction relationship of polymyxins with the lipid A-based outer membrane of Acinetobacter baumannii, Journal of antimicrobial chemotherapy, vol. 75, no. 12, pp. 3534-3543, doi: 10.1093/jac/dkaa376.

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Title Molecular dynamics simulations informed by membrane lipidomics reveal the structure-interaction relationship of polymyxins with the lipid A-based outer membrane of Acinetobacter baumannii
Author(s) Jiang, Xukai
Yang, Kai
Yuan, Bing
Han, Meiling
Zhu, Yan
Roberts, Kade D.
Patil, Nitin A.
Li, JingliangORCID iD for Li, Jingliang orcid.org/0000-0003-0709-2246
Gong, Bin
Hancock, Robert E. W.
Velkov, Tony
Schreiber, Falk
Wang, Lushan
Li, Jian
Journal name Journal of antimicrobial chemotherapy
Volume number 75
Issue number 12
Start page 3534
End page 3543
Total pages 10
Publisher Oxford University Press
Place of publication Oxford, Eng.
Publication date 2020-12
ISSN 0305-7453
1460-2091
Keyword(s) Science & Technology
Life Sciences & Biomedicine
Infectious Diseases
Microbiology
Pharmacology & Pharmacy
CELL-PENETRATING PEPTIDES
FORCE-FIELD
PORE FORMATION
FREE-ENERGY
LIPOPOLYSACCHARIDE
THERMODYNAMICS
ANTIBIOTICS
MECHANISMS
RESISTANCE
INSERTION
Language eng
DOI 10.1093/jac/dkaa376
Indigenous content off
Field of Research 0605 Microbiology
1108 Medical Microbiology
1115 Pharmacology and Pharmaceutical Sciences
HERDC Research category C1 Refereed article in a scholarly journal
ERA Research output type C Journal article
Grant ID NationalInstitute of Allergy and Infectious Diseases of the National Institutes ofHealth (R01 AI132154).
2019 Faculty BridgingFellowship, Biomedicine Discovery Institute, Monash University.
N.A.P. isan Australia National Health and Medical Research Council (NHMRC) ECR Research Fellow
R.E.W.H. is funded by the Canadian Institutes for Health Research FDN-154287
Australia NHMRC Principal Research Fellow
Persistent URL http://hdl.handle.net/10536/DRO/DU:30143168

Document type: Journal Article
Collections: Institute for Frontier Materials
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