Coarse-Grained Molecular Dynamics Modeling of Associating Fluids:  Thermodynamics, Liquid Structure, and Dynamics in the Limit of Zero Association Strength

2007 ◽  
Vol 111 (9) ◽  
pp. 2274-2287 ◽  
Author(s):  
Ting Li ◽  
Erik Nies
Keyword(s):  
Molecular Dynamics ◽  
Liquid Structure ◽  
Coarse Grained ◽  
Association Strength ◽  
Dynamics Modeling ◽  
Associating Fluids ◽  
Structure And Dynamics ◽  
Molecular Dynamics Modeling ◽  
Coarse Grained Molecular Dynamics

Coarse-grained molecular dynamics modeling of the kinetics of lamellar block copolymer defect annealing

2016 ◽  
Vol 15 (1) ◽  
pp. 013508 ◽  
Author(s):  
Andrew J. Peters ◽  
Richard A. Lawson ◽  
Benjamin D. Nation ◽  
Peter J. Ludovice ◽  
Clifford L. Henderson
Keyword(s):  
Molecular Dynamics ◽  
Block Copolymer ◽  
Coarse Grained ◽  
Dynamics Modeling ◽  
Defect Annealing ◽  
Molecular Dynamics Modeling ◽  
Kinetics Of ◽  
Coarse Grained Molecular Dynamics

Coarse-grained molecular dynamics modeling of the kinetics of lamellar BCP defect annealing

2015 ◽  
Author(s):  
Andrew J. Peters ◽  
Richard A. Lawson ◽  
Benjamin D. Nation ◽  
Peter J. Ludovice ◽  
Clifford L. Henderson
Keyword(s):  
Molecular Dynamics ◽  
Coarse Grained ◽  
Dynamics Modeling ◽  
Defect Annealing ◽  
Molecular Dynamics Modeling ◽  
Kinetics Of ◽  
Coarse Grained Molecular Dynamics

scholarly journals Structure and dynamics of liposomes designed for drug delivery: coarse-grained molecular dynamics simulations to reveal the role of lipopolymer incorporation

RSC Advances ◽  
2020 ◽  
Vol 10 (7) ◽  
pp. 3745-3755 ◽  
Author(s):  
Mohammed Lemaalem ◽  
Nourddine Hadrioui ◽  
Abdelali Derouiche ◽  
Hamid Ridouane
Keyword(s):  
Drug Delivery ◽  
Molecular Dynamics ◽  
Polyethylene Glycol ◽  
Molecular Dynamics Simulations ◽  
Coarse Grained ◽  
Structure And Dynamics ◽  
Statistical Ensembles ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics

In this work, coarse-grained molecular dynamics simulations are carried out in NPTH and NVTE statistical ensembles in order to study the structure and dynamics properties of liposomes coated with polyethylene glycol (PEG).

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