Molecular dynamics simulation of a bilayer membrane
نویسندگان
چکیده
منابع مشابه
Molecular dynamics simulation of melittin in a dimyristoylphosphatidylcholine bilayer membrane.
Molecular dynamics trajectories of melittin in an explicit dimyristoyl phosphatidylcholine (DMPC) bilayer are generated to study the details of lipid-protein interactions at the microscopic level. Melittin, a small amphipathic peptide found in bee venom, is known to have a pronounced effect on the lysis of membranes. The peptide is initially set parallel to the membrane-solution interfacial reg...
متن کاملMolecular dynamics simulation of interaction of Melittin and DMPC bilayer: Temperature dependence
The interaction between proteins and membranes has an important role in biological pro-cesses.We have calculated energies of interaction between Melittin and DMPC bilayer in differenttemperatures. We have used the CHARMM software for MD simulation under the canonical (N,V, E) ensemble at different temperatures. The computations have shown that water moleculeshave more penetration into the bilay...
متن کاملmolecular dynamics simulation of interaction of melittin and dmpc bilayer: temperature dependence
the interaction between proteins and membranes has an important role in biological pro-cesses.we have calculated energies of interaction between melittin and dmpc bilayer in differenttemperatures. we have used the charmm software for md simulation under the canonical (n,v, e) ensemble at different temperatures. the computations have shown that water moleculeshave more penetration into the bilay...
متن کاملDynamics of Bilayer Membrane
The theory combines the Rouse model for a single chain with the liquid crystal theory for bilayer membrane developed by Marcelja. Thus the forces acting on a bead within a chain are spring forces, Brownian force and dissipative or viscous force which appear in Rousetheory plus the liquid crystal and lateral pressure forces. The dynamic viscosity of the system is calculated. 1 . Introduction. Ex...
متن کاملInvestigation of Melting by Molecular Dynamics Simulation
The melting of a 64 ion microcrystal of KCI was studied by means of a molecular dynamics computer simulation. We used a central pair interaction with an inverse power law repulsion. The thermodynamics, kinetic and structural properties such as melting temperature, latent heat, mean square displacement, diffusion constant, radial distribution function and bond angle distribution are calculated. ...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1982
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.443321