A continuum model of lipid bilayers
نویسندگان
چکیده
منابع مشابه
A 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 کاملInterfacing continuum and molecular dynamics: An application to lipid bilayers
A new methodology is presented for interfacing atomistic molecular dynamics simulations with continuum dynamics, and the approach is then applied to a model lipid bilayer system. The technique relies on a closed feedback loop in which atomistic level simulations are coupled with continuum level modeling. This approach allows for the examination of the trans-temporal and trans-spatial phenomena ...
متن کاملPhase behavior of model lipid bilayers.
We investigated the phase behavior of double-tail lipids, as a function of temperature, headgroup interaction and tail length. At low values of the head-head repulsion parameter a(hh), the bilayer undergoes with increasing temperature the transitions from the subgel phase L(c) via the flat gel phase L(beta) to the fluid phase L(alpha). For higher values of a(hh), the transition from the L(c) to...
متن کاملApplication of a Continuum Mean Field Approximation to Fullerenes in Lipid Bilayers
Biological applications of fullerenes are severely impeded by our incomplete understanding of their toxicity. Here we extend a recently developed computational method to gain insight into the behavior of fullerenes in lipid bilayer systems. The physical behavior of fullerenes is captured through a continuum model incorporating both their hollow geometry and surface chemistry. By using this 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: European Journal of Applied Mathematics
سال: 2004
ISSN: 0956-7925,1469-4425
DOI: 10.1017/s0956792504005613