Structural effects of small molecules on phospholipid bilayers investigated by molecular simulations (original) (raw)
Computer Simulation of a DPPC Phospholipid Bilayer: Structural Changes as a Function of Molecular Surface Area
Richard Pastor
Langmuir, 1997
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Molecular Dynamics Simulations of Phospholipid Bilayers
Scott Feller
Journal of Biomolecular Structure and Dynamics, 1994
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Molecular simulation study of phospholipid bilayers and insights of the interactions with …
juan pablo
Biophysical journal, 2003
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On the Validation of Molecular Dynamics Simulations of Saturated and cis -Monounsaturated Phosphatidylcholine Lipid Bilayers: A Comparison with Experiment
Alan Mark
Journal of Chemical Theory and Computation, 2010
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Cholesterol effects on the phospholipid condensation and packing in the bilayer: a molecular simulation study
Marta Pasenkiewicz-Gierula
FEBS Letters, 2001
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Molecular dynamics simulation of the fully hydrated dipalmitoylphosphatidylcholine (DPPC) bilayer
Nalantha Wanasundara
2003
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Molecular dynamics study of the dipalmitoyl phosphatidylcholine bilayer in the liquid crystal phase: an effect of the potential force fields on the membrane structure
Wataru Shinoda
Journal of Molecular Liquids, 2001
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Structure of Docosahexaenoic Acid-Containing Phospholipid Bilayers as Studied by 2 H NMR and Molecular Dynamics Simulations
Kannan Rajamoorthi
Journal of the American Chemical Society, 2002
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Effects of phospholipid unsaturation on the bilayer nonpolar region: a molecular simulation study
Marta Pasenkiewicz-Gierula
The Journal of Lipid Research, 2003
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Molecular dynamics simulation studies of lipid bilayer systems
Marta Pasenkiewicz-Gierula
Acta biochimica Polonica, 2000
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Molecular Dynamics Simulations of Phospholipid Bilayers with Cholesterol
Herman Berendsen, Olle Edholm
Biophysical Journal, 2003
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Molecular dynamics simulations of ether- and ester-linked phospholipids
Yicheng Tu
Biochimica et Biophysica Acta (BBA) - Biomembranes, 2017
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Interactions of Liquid Crystal-Forming Molecules with Phospholipid Bilayers Studied by Molecular Dynamics Simulations
juan pablo
Biophysical Journal, 2005
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Reparameterization of All-Atom Dipalmitoylphosphatidylcholine Lipid Parameters Enables Simulation of Fluid Bilayers at Zero Tension
Günther Peters
Biophysical Journal, 2007
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The dynamics of water at the phospholipid bilayer surface: a molecular dynamics simulation study
Marta Pasenkiewicz-Gierula
Chemical Physics Letters, 2002
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Effect of Cholesterol Versus Ergosterol on DPPC Bilayer Properties: Insights from Atomistic Simulations
Azadeh Alavi
Journal of Physical Chemistry B, 2021
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Effect of cholesterol on the structure of a phospholipid bilayer
Frédérick J.-m. Meyer, Berend Smit
Proceedings of the National Academy of Sciences of the United States of America, 2009
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Structure and dynamic properties of diunsaturated 1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphatidylcholine lipid bilayer from molecular dynamics simulation
Tapio T Rantala
Biophysical Journal, 1997
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Self-consistent-field modeling of hydrated unsaturated lipid bilayers in the liquid-crystal phase and comparison to molecular dynamics simulations
Nikolay Balabaev
Physical Review E, 2003
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Dynamical motions of lipids and a finite size effect in simulations of bilayers
Jeffery Klauda
The Journal of Chemical Physics, 2006
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The Effect of Cholesterol on Short-and Long-Chain Monounsaturated Lipid Bilayers as Determined by Molecular Dynamics Simulations and X-Ray Scattering
Lidwina Faraline
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Disturb or Stabilize? A Molecular Dynamics Study of the Effects of Resorcinolic Lipids on Phospholipid Bilayers
Arkadiusz Kozubek
Biophysical Journal, 2009
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Atomic-scale lateral heterogeneity and dynamics of two-component lipid bilayers composed of saturated and unsaturated phosphatidylcholines
Roman Efremov
Soft Matter, 2011
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Combined Monte Carlo and Molecular Dynamics Simulation of Hydrated Lipid-Cholesterol Lipid Bilayers at Low Cholesterol Concentration
Eric Jakobsson
Biophysical Journal, 2001
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Effects of two double bonds on the hydrocarbon interior of a phospholipid bilayer
Tapio T Rantala
Chemical Physics Letters, 1995
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Atomistic molecular dynamics simulations of the interactions of oleic and 2-hydroxyoleic acids with phosphatidylcholine bilayers
Alberto Requena
The journal of physical chemistry. B, 2011
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Effect of cholesterol vs. ergosterol on DPPC bilayer properties: insights from atomistic simulations
Azadeh Alavi
2020
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Non-polar interactions between cholesterol and phospholipids: a molecular dynamics simulation study
Marta Pasenkiewicz-Gierula
Biophysical Chemistry, 2004
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Effects of Phospholipid Unsaturation on the Membrane/Water Interface: A Molecular Simulation Study
Marta Pasenkiewicz-Gierula
Biophysical Journal, 2001
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Molecular dynamic simulation study of cholesterol and conjugated double bonds in lipid bilayers
Evan Mintzer
Chemistry and Physics of Lipids, 2011
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Dynamic heterogeneity of phospholipid bilayer and diffusion of molecules at the interface
Nikolay Balabaev
Biophysics
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