Coarse grained protein-lipid model with application to lipoprotein particles

Article Abstract:

High-density lipoproteins (HDL), sometimes called good cholesterol, are protein-lipid particles responsible for carrying cholesterol, lipids, and fatty acids from arteries to the liver for degradation. Low levels of HDL are implicated in increasing the risk of atherosclerosis and coronary heart disease and the major protein component of HDL particles is apolipoprotein A-1.

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When light falls in LOV: A quantum mechanical/molecular mechanical study of photoexcitation in Phot of Chlamydomonas reinhardtii

Article Abstract:

A combined quantum mechanical/molecular mechanical simulations of the photocycle of a complete Phot-light, oxygen, and voltage (LOV)1 domain from Chlamydomonas reinhardtii is reported. The calculations provide structures, energies, and electronic properties of important states traversed during the photocycle of Phot-LOV1.

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Assembly of lipids and proteins into lipoprotein particles

Article Abstract:

Self-assembly and transition states of double-belt discoidal human high-density (HDL) lipoprotein particles are demonstrated. The HDL particles plays significant role in cholesterol transports in the blood and facilitate the elimination of excess cholesterol from the body.

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