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A Thermodynamic Funnel Drives Bacterial Lipopolysaccharide Transfer in the TLR4 Pathway

Authors:	Roland G Huber Nils A Berglund Vasileios Kargas Jan K Marzinek Daniel A Holdbrook Syma Khalid Thomas J Piggot Artur Schmidtchen Peter J Bond

Institution:	2. School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, UK;3. Faculty of Biology, Medicine and Health, Oxford Road, Manchester M13 9PT, UK;4. CBR Sciences, Defence Science and Technology Laboratory, Porton Down, Salisbury, Wiltshire, UK;5. Division of Dermatology and Venereology, Department of Clinical Sciences, Lund University, Lund, Sweden;6. Dermatology, LKCMedicine, Nanyang Technological University, Singapore, Singapore;7. Dermatology, Skane University Hospital, Lund, Sweden;8. Department of Biological Sciences, National University of Singapore, 14 Science Drive 4, Singapore 117543, Singapore

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Keywords:	lipopolysaccharide (LPS) toll-like receptor 4 (TLR4) myeloid differentiation factor 2 (MD-2) cluster of differentiation 14 (CD14) OmpF porin molecular dynamics (MD) simulations coarse-grained (CG) models free-energy calculations oligomerization
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