Towards a fuller understanding of protein lipid interactions
Recently we used neutron scattering data acquired on D4C to reveal significant shortcomings in the molecular dynamics forcefields for ions. Here we will extend this study to include an ion of critical importance in biological systems- tetramethylammonium. The tetramethylammonium occurs in almost all biological systems, however arguably its most important role is in the head groups of phosphatidylcholines bilayers. Its interaction with membrane proteins is currently a topic of great scientific data. We will use neutron scattering data acquired on D4C alongside molecular dynamic modelling to examine aqueous interactions of the tetramethylammonium ion with water and other solutes of biological relevance. Specifically this data will be acquired using the technique of neutron scattering with isotopic substitution (NDIS) on the non-exchaneable hydrogens on the tetramethylammonium ion. This data will then be combined with the technique of internal coordination number concentration invariance (ICNCI) to yield information about the solute-solute interactions of this ion.
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MASON Philip; Henry E. Fischer; JUNGWIRTH Pavel and TIMR Stepan. (2015). Towards a fuller understanding of protein lipid interactions. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.8-03-844
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