Modeling the Self-Assembly of Peptide Amphiphiles into Fibers Using Coarse-Grained Molecular Dynamics

Nano Letters ◽  
2012 ◽  
Vol 12 (9) ◽  
pp. 4907-4913 ◽  
Author(s):  
One-Sun Lee ◽  
Vince Cho ◽  
George C. Schatz
Keyword(s):  
Molecular Dynamics ◽  
Self Assembly ◽  
The Self ◽  
Peptide Amphiphiles ◽  
Coarse Grained ◽  
Coarse Grained Molecular Dynamics

Coarse-grained simulation of the self-assembly of lipid vesicles concomitantly with novel block copolymers with multiple tails

Soft Matter ◽  
2021 ◽  
Author(s):  
Alexander Kantardjiev
Keyword(s):  
Molecular Dynamics ◽  
Block Copolymers ◽  
Self Assembly ◽  
Lipid Vesicles ◽  
The Self ◽  
Coarse Grained ◽  
Copolymer Concentration ◽  
Copolymer Structure ◽  
Coarse Grained Molecular Dynamics

We carried out a series of coarse-grained molecular dynamics liposome-copolymer simulations with varying extent of copolymer concentration in an attempt to understand the effect of copolymer structure and concentration on vesicle self-assembly and stability.

Modeling the Self-Assembly of Bolaamphiphiles under Nanoconfinement by Coarse-Grained Molecular Dynamics

2017 ◽  
Vol 121 (38) ◽  
pp. 8984-8990 ◽  
Author(s):  
Qing-Yan Wu ◽  
Wen-de Tian ◽  
Yu-qiang Ma
Keyword(s):  
Molecular Dynamics ◽  
Self Assembly ◽  
The Self ◽  
Coarse Grained ◽  
Coarse Grained Molecular Dynamics

Coarse-grained molecular dynamics study on the self-assembly of Gemini surfactants: the effect of spacer length

2017 ◽  
Vol 19 (6) ◽  
pp. 4462-4468 ◽  
Author(s):  
Pan Wang ◽  
Shuai Pei ◽  
Muhan Wang ◽  
Youguo Yan ◽  
Xiaoli Sun ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Self Assembly ◽  
Gemini Surfactants ◽  
Molecular Level ◽  
Underlying Mechanism ◽  
The Self ◽  
Coarse Grained ◽  
Spacer Length ◽  
Coarse Grained Molecular Dynamics

This work provides a molecular-level understanding of the underlying mechanism of the self-assembly of Gemini surfactants.

scholarly journals Coarse-Grained Molecular Dynamics Simulations of the Self-Assembly of Amphiphilic Dendrimers as Gene Carriers

2015 ◽  
Vol 108 (2) ◽  
pp. 172a
Author(s):  
Valeria Marquez-Miranda ◽  
Iingrid Araya ◽  
Maria Belen Camarada ◽  
Lars Ratjen ◽  
Maria Carolina Otero ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
The Self ◽  
Coarse Grained ◽  
Gene Carriers ◽  
Amphiphilic Dendrimers ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics

Block-copolymer-like self-assembly behavior of mobile-ligand grafted ultra-small nanoparticles

Soft Matter ◽  
2021 ◽  
Author(s):  
Feng-Rui Xu ◽  
Rui Shi ◽  
XiangMeng Jia ◽  
Shengchao Chai ◽  
Haolong Li ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Block Copolymer ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
The Self ◽  
Coarse Grained ◽  
Assembly Behavior ◽  
Dynamics Simulations ◽  
Small Nanoparticles ◽  
Coarse Grained Molecular Dynamics

We use coarse-grained molecular dynamics simulations to study the self-assembly behavior of polyoxometalate (POM) nanoparticles (NPs) decorated with mobile polymer ligands in a melt condition. We demonstrate that due to...

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