United atom force field for phospholipid membranes: Constant pressure molecular dynamics simulation of dipalmitoylphosphatidicholine/water system
- 15 April 1999
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 20 (5) , 531-545
- https://doi.org/10.1002/(sici)1096-987x(19990415)20:5<531::aid-jcc5>3.0.co;2-3
Abstract
No abstract availableKeywords
This publication has 39 references indexed in Scilit:
- Hydrogen Bonding of Water to Phosphatidylcholine in the Membrane As Studied by a Molecular Dynamics Simulation: Location, Geometry, and Lipid−Lipid Bridging via Hydrogen-Bonded WaterThe Journal of Physical Chemistry A, 1997
- Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperatureBiophysical Journal, 1997
- Molecular dynamics study of a lipid bilayer: Convergence, structure, and long-time dynamicsThe Journal of Chemical Physics, 1997
- Atomic-scale molecular dynamics simulations of lipid membranesCurrent Opinion in Colloid & Interface Science, 1997
- Molecular dynamics simulations of a fully hydrated dipalmitoylphosphatidylcholine bilayer with different macroscopic boundary conditions and parametersThe Journal of Chemical Physics, 1996
- Constant pressure and temperature molecular dynamics simulation of a fully hydrated liquid crystal phase dipalmitoylphosphatidylcholine bilayerBiophysical Journal, 1995
- Molecular Dynamics Study of a Membrane-Water InterfaceThe Journal of Physical Chemistry, 1995
- Head group and chain behavior in biological membranes: a molecular dynamics computer simulationBiophysical Journal, 1994
- Head group-water interactions in lipid bilayers: a comparison between DMPC- and DLPE-based lipid bilayersLangmuir, 1993
- Preferred conformation and molecular packing of phosphatidylethanolamine and phosphatidylcholineBiochimica et Biophysica Acta (BBA) - Reviews on Biomembranes, 1981