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Diffusion and spectroscopy of water and lipids in fully hydrated dimyristoylphosphatidylcholine bilayer membranes

Author
Yang, J.; Calero, C.; Marti, J.
Type of activity
Journal article
Journal
Journal of chemical physics
Date of publication
2014-03-10
Volume
140
Number
10
First page
104901-1
Last page
104901-13
DOI
https://doi.org/10.1063/1.4867385 Open in new window
Project funding
Grup de Simulació per Ordinador en Matèria Condensada - 2009SGR1003
SIMULACION A NANOESCALA DE FASES CONDENSADAS: SALES FUNDIDAS, DISOLUCIONES IONICAS Y LÍQUIDOS MOLECULARES
Repository
http://hdl.handle.net/2117/21998 Open in new window
URL
http://scitation.aip.org/content/aip/journal/jcp/140/10/10.1063/1.4867385 Open in new window
Abstract
Microscopic structure and dynamics of water and lipids in a fully hydrated dimyristoylphosphatidylcholine phospholipid lipid bilayer membrane in the liquid-crystalline phase have been analyzed with all-atom molecular dynamics simulations based on the recently parameterized CHARMM36 force field. The diffusive dynamics of the membrane lipids and of its hydration water, their reorientational motions as well as their corresponding spectral densities, related to the absorption of radiation, have been...
Citation
Yang, J.; Calero, C.; Marti, J. Diffusion and spectroscopy of water and lipids in fully hydrated dimyristoylphosphatidylcholine bilayer membranes. "Journal of chemical physics", 10 Març 2014, vol. 140, núm. 10, p. 104901-1-104901-13.
Keywords
dynamics (diffusion, lipid bilayer membrane, molecular dynamics, spectroscopy)
Group of research
CIEFMA - Structural Integrity, Micromechanics and Materials Reliability Centre
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

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