pH-sensitive drug loading/releasing in amphiphilic copolymer PAE–PEG: Integrating molecular dynamics and dissipative particle dynamics simulations

2012 ◽  
Vol 162 (1) ◽  
pp. 185-193 ◽  
Author(s):  
Zhonglin Luo ◽  
Jianwen Jiang
Keyword(s):  
Molecular Dynamics ◽  
Drug Loading ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Ph Sensitive ◽  
Amphiphilic Copolymer ◽  
Dynamics Simulations

scholarly journals Correction: Dissipative particle dynamics and molecular dynamics simulations on mesoscale structure and proton conduction in a SPEEK/PVDF-g-PSSA membrane

RSC Advances ◽  
2017 ◽  
Vol 7 (66) ◽  
pp. 41787-41787
Author(s):  
Yue Ma ◽  
Yuxiang Wang ◽  
Xuejian Deng ◽  
Guanggang Zhou ◽  
Shah Khalid ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Proton Conduction ◽  
Mesoscale Structure ◽  
Dynamics Simulations

Correction for ‘Dissipative particle dynamics and molecular dynamics simulations on mesoscale structure and proton conduction in a SPEEK/PVDF-g-PSSA membrane’ by Yue Ma et al., RSC Adv., 2017, 7, 39676–39684.

scholarly journals Dissipative particle dynamics and molecular dynamics simulations on mesoscale structure and proton conduction in a SPEEK/PVDF-g-PSSA membrane

RSC Advances ◽  
2017 ◽  
Vol 7 (63) ◽  
pp. 39676-39684 ◽  
Author(s):  
Yue Ma ◽  
Yuxiang Wang ◽  
Xuejian Deng ◽  
Guanggang Zhou ◽  
Sha Khalid ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Proton Conduction ◽  
Small Particles ◽  
Cluster Network ◽  
Mesoscale Structure ◽  
Dynamics Simulations

The blend morphologies evolve from disordered small particles to a regular PVDF cluster network, which were connected by SPEEK cylindrical channels.

scholarly journals A Generic Force Field for Simulating Native Protein Structures Using Dissipative Particle Dynamics

Soft Matter ◽  
2021 ◽  
Author(s):  
Rakesh K Vaiwala ◽  
Ganapathy Ayappa
Keyword(s):  
Molecular Dynamics ◽  
Force Field ◽  
Molecular Dynamics Simulations ◽  
Dissipative Particle Dynamics ◽  
Protein Structures ◽  
Particle Dynamics ◽  
Coarse Grained ◽  
Native Protein ◽  
Dynamics Simulations

A coarse-grained force field for molecular dynamics simulations of native structures of proteins in a dissipative particle dynamics (DPD) framework is developed. The parameters for bonded interactions are derived by...

Compatibility studies between an amphiphilic pH-sensitive polymer and hydrophobic drug using multiscale simulations

RSC Advances ◽  
2016 ◽  
Vol 6 (103) ◽  
pp. 101323-101333 ◽  
Author(s):  
Yan Wang ◽  
Jia Wei Ren ◽  
Can Yang Zhang ◽  
Meng Chan He ◽  
Zhi Min Wu ◽  
...  
Keyword(s):  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Ph Sensitive ◽  
Multiscale Simulations ◽  
Hydrophobic Drug ◽  
Compatibility Studies ◽  
Ph Conditions ◽  
Ph Sensitive Polymer ◽  
Dynamics Simulations

Dissipative particle dynamics simulations are integrated to investigate the morphologies of drug-loaded micelles and the drug distributions inside the micelles at different pH conditions.

Molecular dynamics and dissipative particle dynamics simulations of the miscibility and mechanical properties of GAP/DIANP blending systems

RSC Advances ◽  
2014 ◽  
Vol 4 (79) ◽  
pp. 41934-41941 ◽  
Author(s):  
Junqing Yang ◽  
Xueli Zhang ◽  
Pin Gao ◽  
Xuedong Gong ◽  
Guixiang Wang
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Dynamics Simulations

Prediction of miscibility and mechanical properties of GAP/DIANP blends.

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