Effects of Electrostatic Interactions on the Translocation of Polymers Through a Narrow Pore Under Different Solvent Conditions: A Dissipative Particle Dynamics Simulation Study

2011 ◽  
Vol 21 (2) ◽  
pp. 120-129 ◽  
Author(s):  
Xuejin Li ◽  
Xiaolong Li ◽  
Mingge Deng ◽  
Haojun Liang
Keyword(s):  
Simulation Study ◽  
Electrostatic Interactions ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Dynamics Simulation ◽  
Dissipative Particle Dynamics Simulation

A dissipative particle dynamics simulation study on phase diagrams for the self-assembly of amphiphilic hyperbranched multiarm copolymers in various solvents

Soft Matter ◽  
2017 ◽  
Vol 13 (36) ◽  
pp. 6178-6188 ◽  
Author(s):  
Haina Tan ◽  
Chunyang Yu ◽  
Zhongyuan Lu ◽  
Yongfeng Zhou ◽  
Deyue Yan
Keyword(s):  
Phase Diagrams ◽  
Simulation Study ◽  
Self Assembly ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
The Self ◽  
Dynamics Simulation ◽  
Dynamics Simulations ◽  
First Time ◽  
Dissipative Particle Dynamics Simulation

This work discloses for the first time the self-assembly phase diagrams of amphiphilic hyperbranched multiarm copolymers in various solvents by dissipative particle dynamics simulations.

Kinetic step-growth polymerization: A dissipative particle dynamics simulation study

2018 ◽  
Vol 148 (2) ◽  
pp. 024901 ◽  
Author(s):  
Dan Xu ◽  
Chun-Yan Ni ◽  
You-Liang Zhu ◽  
Zhong-Yuan Lu ◽  
Yao-Hong Xue ◽  
...  
Keyword(s):  
Simulation Study ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Dynamics Simulation ◽  
Step Growth ◽  
Step Growth Polymerization ◽  
Dissipative Particle Dynamics Simulation

Temperature-Responsive Morphology Formation of PS-b-PI copolymer: A Dissipative Particle Dynamics Simulation Study

Soft Matter ◽  
2021 ◽  
Author(s):  
Natthiti Chiangraeng ◽  
Ukrit Keyen ◽  
Norio Yoshida ◽  
Piyarat Nimmanpipug
Keyword(s):  
Molecular Dynamics ◽  
Simulation Study ◽  
Diblock Copolymer ◽  
Self Assembly ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Dynamics Simulation ◽  
Temperature Responsive ◽  
Classical Molecular Dynamics ◽  
Dissipative Particle Dynamics Simulation

Self-assembly responsiveness to stimuli of polystyrene-block-polyisoprene (PS-b-PI) diblock copolymer materials are explored by means of classical molecular dynamics (MD) and dissipative particle dynamics (DPD) simulations. A concerted relationship between the...

scholarly journals Dissipative particle dynamics simulation study of poly(2-oxazoline)-based multicompartment micelle nanoreactor

2016 ◽  
Vol 18 (8) ◽  
pp. 6284-6290 ◽  
Author(s):  
Byeong Jae Chun ◽  
Christina Clare Fisher ◽  
Seung Soon Jang
Keyword(s):  
Internal Structure ◽  
Simulation Study ◽  
Dissipative Particle Dynamics ◽  
Simulation Method ◽  
Particle Dynamics ◽  
Dynamics Simulation ◽  
Multicompartment Micelles ◽  
Dissipative Particle Dynamics Simulation ◽  
Dpd Simulation

We investigate multicompartment micelles for nanoreactor applications, using the DPD simulation method to characterize the internal structure and the distribution of the reactant.

Dissipative particle dynamics simulation study on self-assembly of amphiphilic hyperbranched multiarm copolymers with different degrees of branching

Soft Matter ◽  
2015 ◽  
Vol 11 (43) ◽  
pp. 8460-8470 ◽  
Author(s):  
Haina Tan ◽  
Wei Wang ◽  
Chunyang Yu ◽  
Yongfeng Zhou ◽  
Zhongyuan Lu ◽  
...  
Keyword(s):  
Simulation Study ◽  
Self Assembly ◽  
Dissipative Particle Dynamics ◽  
Hyperbranched Polymers ◽  
Particle Dynamics ◽  
The Self ◽  
Dynamics Simulation ◽  
Degree Of Branching ◽  
Dynamics Simulations ◽  
Dissipative Particle Dynamics Simulation

This work demonstrates the effect of degree of branching on the self-assembly of amphiphilic hyperbranched polymers by dissipative particle dynamics simulations.

How the Antimicrobial Peptides Kill Bacteria: Computational Physics Insights

2012 ◽  
Vol 11 (3) ◽  
pp. 709-725 ◽  
Author(s):  
Licui Chen ◽  
Lianghui Gao ◽  
Weihai Fang ◽  
Leonardo Golubovic
Keyword(s):  
Electrostatic Interactions ◽  
Constant Pressure ◽  
Membrane Lipids ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Hydrophobic Domain ◽  
Vital Functions ◽  
Dissipative Particle Dynamics Simulation

AbstractIn the present article, coarse grained Dissipative Particle Dynamics simulation with implementation of electrostatic interactions is developed in constant pressure and surface tension ensemble to elucidate how the antimicrobial peptide molecules affect bilayer cell membrane structure and kill bacteria. We find that peptides with different chemical-physical properties exhibit different membrane obstructing mechanisms. Peptide molecules can destroy vital functions of the affected bacteria by translocating across their membranes via worm-holes, or by associating with membrane lipids to form hydrophilic cores trapped inside the hydrophobic domain of the membranes. In the latter model, the affected membranes are strongly buckled, in accord with very recent experimental observations [G. E. Fantner et al., Nat. Nanotech., 5 (2010), pp. 280-285].

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