Systematic design and application of unimolecular star-like block copolymer micelles: a coarse-grained simulation study

2016 ◽  
Vol 18 (38) ◽  
pp. 26519-26529 ◽  
Author(s):  
Xiaofang Zhang ◽  
Wenjing Lin ◽  
Liyang Wen ◽  
Na Yao ◽  
Shuyu Nie ◽  
...  
Keyword(s):  
Block Copolymer ◽  
Polymeric Micelles ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Coarse Grained ◽  
Systematic Design ◽  
Block Copolymer Micelles ◽  
Copolymer Micelles ◽  
Dynamics Simulations ◽  
Insight Into

We provide a mesoscopic insight into the micellar behavior of unimolecular polymeric micelles via dissipative particle dynamics simulations.

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...

Microhydrodynamics with Dissipative Particle Dynamics

1995 ◽  
Vol 407 ◽  
Author(s):  
Pep Español ◽  
Ignacio Zúñiga
Keyword(s):  
Simple Model ◽  
Molecular Dynamic Simulation ◽  
Dynamic Simulation ◽  
Theoretical Foundation ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
Coarse Grained ◽  
Model Parameters ◽  
Hydrodynamic Properties ◽  
Insight Into

ABSTRACTDissipative particle dynamics is essentially a coarse-grained molecular dynamic simulation technique that captures the essential physics with considerably less computer effort. We have given a sound theoretical foundation to the technique with respect to the equilibrium and hydrodynamic properties. In this paper we further explore the connection of the model parameters of DPD with the underlying microscopic dynamics for the case of a simple model of a solid. This provides some insight into the difficulties of interpretation of DPD simulations.

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