Abstract
Metabolic states that precede diseases such as the Metabolic Syndrome are associated with abnormal conditions, such as dyslipidemia, reflected in circulation as elevated levels of triglycerides and low levels of high-density lipoproteins. Yet, the underlying molecular phenomena associated with these conditions are not understood. This is quite unfortunate, since understanding the interplay of lipids and proteins in the context of normal and abnormal metabolite profiles would promote development of novel ways to guide dysfunctional metabolic profiles towards normal ones. Here we discuss how molecular simulations can be used to shed light on these issues by modelling the structure, dynamics, and function of biological systems comprised of lipids and proteins. By considering recent simulation studies of lipid membranes, membrane proteins, and lipoproteins we highlight the added value brought out by simulations in unravelling how nano-scale phenomena take place in complex lipid-protein systems. The examples shown here also demonstrate the significant added value of bridging molecular simulations with experiments, and in a biomedical context with clinical studies.
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Acknowledgments
The Academy of Finland, the European Research Council (Advanced Grant CROWDED-PRO-LIPIDS), and the EU FP7 project ETHERPATHS are thanked for funding.
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Koivuniemi, A., Vattulainen, I. (2014). Modeling of Lipid Membranes and Lipoproteins. In: Orešič, M., Vidal-Puig, A. (eds) A Systems Biology Approach to Study Metabolic Syndrome. Springer, Cham. https://doi.org/10.1007/978-3-319-01008-3_15
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DOI: https://doi.org/10.1007/978-3-319-01008-3_15
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