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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 102, 2004 - Issue 9-10: Special Issue: In Honour of Ruth Lynden-Bell
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Original Articles

Coarse-grain molecular dynamics simulations of diblock copolymer surfactants interacting with a lipid bilayer

Goundla Srinivas *
&
Michael L. Klein
Pages 883-889 | Received 15 Jan 2004, Published online: 20 Feb 2007

Citations (30)

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Giulia Rossi & Luca Monticelli. (2016) Simulating the interaction of lipid membranes with polymer and ligand-coated nanoparticles. Advances in Physics: X 1:2, pages 276-296.
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D. R. Heine, A. R. Rammohan & J. Balakrishnan. (2007) Atomistic simulations of the interaction between lipid bilayers and substrates. Molecular Simulation 33:4-5, pages 391-397.
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Articles from other publishers (28)

Jan Steinkühler, Miranda L. Jacobs, Margrethe A. Boyd, Citlayi G. Villaseñor, Sharon M. Loverde & Neha P. Kamat. (2022) PEO- b -PBD Diblock Copolymers Induce Packing Defects in Lipid/Hybrid Membranes and Improve Insertion Rates of Natively Folded Peptides . Biomacromolecules 23:11, pages 4756-4765.
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Hwankyu Lee. (2020) Molecular Simulations of PEGylated Biomolecules, Liposomes, and Nanoparticles for Drug Delivery Applications. Pharmaceutics 12:6, pages 533.
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Sérgio F. Sousa, Joana Peres, Manuel Coelho & Tatiana F. Vieira. (2018) Analyzing PEGylation through Molecular Dynamics Simulations. ChemistrySelect 3:29, pages 8415-8427.
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Afroditi Maria Zaki & Paola Carbone. (2017) How the Incorporation of Pluronic Block Copolymers Modulates the Response of Lipid Membranes to Mechanical Stress. Langmuir 33:46, pages 13284-13294.
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Emanuele Panizon, Davide Bochicchio, Luca Monticelli & Giulia Rossi. (2015) MARTINI Coarse-Grained Models of Polyethylene and Polypropylene. The Journal of Physical Chemistry B 119:25, pages 8209-8216.
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Giulia Rossi & Luca Monticelli. (2014) Modeling the effect of nano-sized polymer particles on the properties of lipid membranes. Journal of Physics: Condensed Matter 26:50, pages 503101.
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Jianguo Zhang & Hongxia Guo. (2014) Transferability of Coarse-Grained Force Field for n CB Liquid Crystal Systems . The Journal of Physical Chemistry B 118:17, pages 4647-4660.
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Hwankyu Lee. (2014) Molecular Modeling of PEGylated Peptides, Dendrimers, and Single-Walled Carbon Nanotubes for Biomedical Applications. Polymers 6:3, pages 776-798.
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Eol Han & Hwankyu Lee. (2013) Effects of PEGylation on the Binding Interaction of Magainin 2 and Tachyplesin I with Lipid Bilayer Surface. Langmuir 29:46, pages 14214-14221.
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Goundla Srinivas, Ram V. Mohan & Ajit D. Kelkar. (2013) Polymer Micelle Assisted Transport and Delivery of Model Hydrophilic Components inside a Biological Lipid Vesicle: A Coarse-Grain Simulation Study. The Journal of Physical Chemistry B 117:40, pages 12095-12104.
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Jonathan B. Burkhardt, Adam A. Skelton & J. R. Fried. (2013) The water-channel forming ability of heptapeptide-based anion channels: insights from molecular dynamics simulations. Soft Matter 9:17, pages 4444.
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Susruta Samanta, Samira Hezaveh, Giuseppe Milano & Danilo Roccatano. (2012) Diffusion of 1,2-Dimethoxyethane and 1,2-Dimethoxypropane through Phosphatidycholine Bilayers: A Molecular Dynamics Study. The Journal of Physical Chemistry B 116:17, pages 5141-5151.
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Michael D. Tomasini & M. Silvina Tomassone. (2012) Dissipative particle dynamics simulation of poly(ethylene oxide)–poly(ethyl ethylene) block copolymer properties for enhancement of cell membrane rupture under stress. Chemical Engineering Science 71, pages 400-408.
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Jianguo Zhang, Jiaye Su, Yanping Ma & Hongxia Guo. (2012) Coarse-Grained Molecular Dynamics Simulations of the Phase Behavior of the 4-Cyano-4′-pentylbiphenyl Liquid Crystal System. The Journal of Physical Chemistry B 116:7, pages 2075-2089.
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Selina Nawaz, Martin Redhead, Giuseppe Mantovani, Cameron Alexander, Cynthia Bosquillon & Paola Carbone. (2012) Interactions of PEO–PPO–PEO block copolymers with lipid membranes: a computational and experimental study linking membrane lysis with polymer structure. Soft Matter 8:25, pages 6744.
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Hwankyu Lee & Richard W. Pastor. (2011) Coarse-Grained Model for PEGylated Lipids: Effect of PEGylation on the Size and Shape of Self-Assembled Structures. The Journal of Physical Chemistry B 115:24, pages 7830-7837.
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Bonnie A. Merchant & Jeffry D. Madura. 2011. 67 87 .
Arnab Chakrabarty & Tahir Cagin. (2010) Coarse grain modeling of polyimide copolymers. Polymer 51:12, pages 2786-2794.
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Guangming Liu, Li Fu & Guangzhao Zhang. (2009) Role of Hydrophobic Interactions in the Adsorption of Poly(ethylene glycol) Chains on Phospholipid Membranes Investigated with a Quartz Crystal Microbalance. The Journal of Physical Chemistry B 113:11, pages 3365-3369.
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Violeta Malinova, Serena Belegrinou, Dirk de Bruyn Ouboter & Wolfgang Peter Meier. 2010. Polymer Membranes/Biomembranes. Polymer Membranes/Biomembranes 87 111 .
J. S. Kłos & J.-U. Sommer. (2008) Adsorption of random copolymers by a selective layer: Monte Carlo studies. The Journal of Chemical Physics 128:16.
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Loan Huynh, Justin Grant, Jean-Christophe Leroux, Pascal Delmas & Christine Allen. (2007) Predicting the Solubility of the Anti-Cancer Agent Docetaxel in Small Molecule Excipients using Computational Methods. Pharmaceutical Research 25:1, pages 147-157.
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Dennis E. Discher, Vanessa Ortiz, Goundla Srinivas, Michael L. Klein, Younghoon Kim, David Christian, Shenshen Cai, Peter Photos & Fariyal Ahmed. (2007) Emerging applications of polymersomes in delivery: From molecular dynamics to shrinkage of tumors. Progress in Polymer Science 32:8-9, pages 838-857.
Crossref
Alessandro Napoli, Diana Sebök, Alex Senti & Wolfgang Meier. 2006. Block Copolymers in Nanoscience. Block Copolymers in Nanoscience 39 71 .
Vanessa Ortiz, Steven O. Nielsen, Michael L. Klein & Dennis E. Discher. (2006) Computer simulation of aqueous block copolymer assemblies: Length scales and methods. Journal of Polymer Science Part B: Polymer Physics 44:14, pages 1907-1918.
Crossref
Y.M. Li, G.Y. Xu, Y.J. Chen, Y.X. Luan & S.L. Yuan. (2006) Computer simulations of surfactants and surfactant/polymer assemblies. Computational Materials Science 36:4, pages 386-396.
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Semen A. Trygubenko & David J. Wales. (2006) Graph transformation method for calculating waiting times in Markov chains. The Journal of Chemical Physics 124:23.
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Joanne M. Carr, Semen A. Trygubenko & David J. Wales. (2005) Finding pathways between distant local minima. The Journal of Chemical Physics 122:23.
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