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Statistical thermodynamics of biomembranes
An overview of the major issues involved in the statistical thermodynamic treatment of phospholipid membranes at the atomistic level is summarized: thermodynamic ensembles, initial configuration (or the physical system being modeled), force field representation as well as the representation of long-...
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| Published in: | Cryobiology 2010-02, Vol.60 (1), p.80-90 |
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| Format: | Article |
| Language: | English |
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| cited_by | cdi_FETCH-LOGICAL-c502t-216f5ba9e67363e7f2700619393fc0f8c8324e216bcabaecc548de64912398303 |
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| cites | cdi_FETCH-LOGICAL-c502t-216f5ba9e67363e7f2700619393fc0f8c8324e216bcabaecc548de64912398303 |
| container_end_page | 90 |
| container_issue | 1 |
| container_start_page | 80 |
| container_title | Cryobiology |
| container_volume | 60 |
| creator | Devireddy, Ram V. |
| description | An overview of the major issues involved in the statistical thermodynamic treatment of phospholipid membranes at the atomistic level is summarized: thermodynamic ensembles, initial configuration (or the physical system being modeled), force field representation as well as the representation of long-range interactions. This is followed by a description of the various ways that the simulated ensembles can be analyzed: area of the lipid, mass density profiles, radial distribution functions (RDFs), water orientation profile, deuterium order parameter, free energy profiles and void (pore) formation; with particular focus on the results obtained from our recent molecular dynamic (MD) simulations of phospholipids interacting with dimethylsulfoxide (Me
2SO), a commonly used cryoprotective agent (CPA). |
| doi_str_mv | 10.1016/j.cryobiol.2009.05.001 |
| format | article |
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| identifier | ISSN: 0011-2240 |
| ispartof | Cryobiology, 2010-02, Vol.60 (1), p.80-90 |
| issn | 0011-2240 1090-2392 |
| language | eng |
| recordid | cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_2854501 |
| source | ScienceDirect Freedom Collection |
| subjects | Animals Anisotropy Computer Simulation Cryopreservation Cryoprotective Agents - pharmacology Deuterium - chemistry Deuterium order parameter Dimethyl sulfoxide Dimethyl Sulfoxide - chemistry Dimethylsulfoxide GROMACS Humans Lipid bilayer structure Lipid Bilayers - chemistry Mass density profiles Models, Molecular Models, Statistical Phospholipids - chemistry Radial distribution function Thermodynamics Water - chemistry Water orientation profile |
| title | Statistical thermodynamics of biomembranes |
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