A simple computer model for liquid lipid bilayers
نویسندگان
چکیده
منابع مشابه
A Simple Computer Model for Liquid Lipid Bilayers
We present a simple coarse-grained bead-and-spring model for lipid bilayers. The system has been developed to reproduce the main (gel–liquid) transition of biological membranes on intermediate length scales of a couple of nanometres and is very efficient from a computational point of view. For the solvent environment, two different models are proposed. The first model forces the lipids to form ...
متن کاملAtomistic 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...
متن کاملA simple atomistic model for the simulation of the gel phase of lipid bilayers
In this paper we present the results of a large-scale numerical investigation of structural properties of a model of cell membrane, simulated as a bilayer of flexible molecules in vacuum. The study was performed by carrying out extensive Molecular Dynamics simulations, in the (NV E) micro-canonical ensemble, of two systems of different sizes (2 × 32 and 2 × 256 molecules), over a fairly large s...
متن کاملA continuum model of lipid bilayers
We study a one-dimensional continuum model for lipid bilayers. The system consists of water and lipid molecules; lipid molecules are represented by two ‘beads’, a head bead and a tail bead, connected by a rigid rod. We derive a simplified model for such a system, in which we only take into account the effects of entropy and hydrophilic/hydrophobic interactions. We show that for this simple mode...
متن کاملA quantitative coarse-grain model for lipid bilayers.
A simplified particle-based computer model for hydrated phospholipid bilayers has been developed and applied to quantitatively predict the major physical features of fluid-phase biomembranes. Compared with available coarse-grain methods, three novel aspects are introduced. First, the main electrostatic features of the system are incorporated explicitly via charges and dipoles. Second, water is ...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Molecular Liquids
سال: 2005
ISSN: 0167-7322
DOI: 10.1016/j.molliq.2004.08.008