Recent development in computer simulations of lipid bilayers
نویسندگان
چکیده
منابع مشابه
Atomistic computer simulations of lipid bilayers
Computer simulation has become an important tool for the study of biomolecular systems. This thesis deals with molecular dynamics simulations of one-component lipid bilayers, which may serve as models for biological membranes. The main scientific contributions are: • It is possible to analyze the electrostatic contribution to the surface tension at a lipid-water interface in terms of dipole-dip...
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Statistical thermodynamics simulations in recent years have considerably altered the view of biological and model membranes. Fluctuations in concentration and state, as well as in area and volume, have led to the prediction of a domain structure and anomalies in the elastic constants. New experiments support the predictions made from these models. Domains have been found and elasticities have b...
متن کاملMolecular dynamics simulations of lipid bilayers.
During the past decade, computer simulations of bilayers have moved from the realm of model systems to realistic systems containing tens of phospholipids along with the requisite number of water molecules hydrating the entire molecular assembly. Concomitant with the ability to model larger and larger systems, simulators have also begun to utilize more accurate numerical tools to ensure that the...
متن کاملDistribution of Hydrophobic Probe Molecules in Lipid Bilayers. 1. Monte Carlo Dynamics Computer Simulations
Lattice dynamics techniques are used to simulate the orientational dynamics of the hydrophobic probe molecules 1,6-diphenyl-1,3,5-hexatriene DPH and perylene in lipid bilayer systems. It is shown that these molecules are essentially found in two distinct environments: in the middle of the bilayer and in the two regions near the bilayer interfaces. This partition arises from the competition betw...
متن کاملComputer Simulations of Lipid Nanoparticles
Lipid nanoparticles (LNP) are promising soft matter nanomaterials for drug delivery applications. In spite of their interest, little is known about the supramolecular organization of the components of these self-assembled nanoparticles. Here, we present a molecular dynamics simulation study, employing the Martini coarse-grain forcefield, of self-assembled LNPs made by tripalmitin lipid in water...
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ژورنال
عنوان ژورنال: Soft Matter
سال: 2011
ISSN: 1744-683X,1744-6848
DOI: 10.1039/c0sm00457j