Works (4)

Updated: July 5th, 2023 15:44

2015 journal article

Modeling nanoparticle wrapping or translocation in bilayer membranes

NANOSCALE, 7(34), 14505–14514.

By: E. Curtis n, A. Bahrami n, T. Weikl* & C. Hall n

MeSH headings : 1,2-Dipalmitoylphosphatidylcholine / chemistry; Hydrophobic and Hydrophilic Interactions; Lipid Bilayers / chemistry; Molecular Dynamics Simulation; Nanoparticles / chemistry
TL;DR: By combining LIME, an intermediate resolution, implicit solvent model for phospholipids, with discontinuous molecular dynamics (DMD), this work is able to simulate the wrapping or embedding of nanoparticles by 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) bilayer membranes. (via Semantic Scholar)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2015 journal article

Phase Separation Behavior of Mixed Lipid Systems at Neutral and Low pH: Coarse-Grained Simulations with DMD/LIME

LANGMUIR, 31(3), 1086–1094.

By: E. Curtis n, X. Xiao n, S. Sofou* & C. Hall n

MeSH headings : Hydrogen-Ion Concentration; Kinetics; Lipid Bilayers / chemistry; Molecular Dynamics Simulation; Phosphatidylcholines / chemistry; Phosphoserine / chemistry; Temperature; Thermodynamics
TL;DR: These are the first molecular-level simulations of the phase separation in mixed lipid bilayers induced by a change in pH, and consistent with experimental findings of Sofou and co-workers. (via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2014 journal article

Wrapping of nanoparticles by membranes

ADVANCES IN COLLOID AND INTERFACE SCIENCE, 208, 214–224.

author keywords: Nanoparticles; Membranes; Bending energy
MeSH headings : Adhesiveness; Algorithms; Animals; Biophysical Phenomena; Biophysics / methods; Biophysics / trends; Cell Membrane / chemistry; Elasticity; Energy Transfer; Humans; Lipid Bilayers / chemistry; Models, Biological; Nanoparticles / chemistry; Surface Properties
TL;DR: Recent results from theory and simulations indicate that the interplay of bending and adhesion during wrapping is strongly affected by the interaction range of the particle-membrane adhesion potential, by the shape of the nanoparticles, and by shape changes of membrane vesicles during wrapping. (via Semantic Scholar)
UN Sustainable Development Goal Categories
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2013 journal article

Molecular Dynamics Simulations of DPPC Bilayers Using "LIME", a New Coarse-Grained Model

JOURNAL OF PHYSICAL CHEMISTRY B, 117(17), 5019–5030.

By: E. Curtis n & C. Hall n

MeSH headings : 1,2-Dipalmitoylphosphatidylcholine / chemistry; Lipid Bilayers / chemistry; Molecular Dynamics Simulation; Monte Carlo Method; Temperature; Thermodynamics; Water / chemistry
TL;DR: A new intermediate resolution model for phospholipids, LIME, designed for use with discontinuous molecular dynamics (DMD) simulations is presented, which quantitatively reproduces the main structural properties that are observed experimentally. (via Semantic Scholar)
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

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