Effect of oligonucleic acid (ONA) backbone features on assembly of ONA–star polymer conjugates: a coarse-grained molecular simulation study

Soft Matter ◽  
2017 ◽  
Vol 13 (38) ◽  
pp. 6770-6783 ◽  
Author(s):  
Joshua E. Condon ◽  
Arthi Jayaraman
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Coarse Grained ◽  
Star Polymer ◽  
Backbone Flexibility ◽  
Polymer Architecture ◽  
Polymer Conjugates ◽  
Coarse Grained Simulations

Using coarse-grained simulations, we study the effect of varying oligonucleic acid (ONA) backbone flexibility, ONA charge and star polymer architecture on structure and thermodynamics of ONA–star polymer conjugates assembly.

Coarse-Grained Simulations of Three-Armed Star Polymer Melts and Comparison with Linear Chains

2018 ◽  
Vol 122 (44) ◽  
pp. 10210-10218 ◽  
Author(s):  
Li Liu ◽  
Wouter K. den Otter ◽  
Wim J. Briels
Keyword(s):  
Polymer Melts ◽  
Coarse Grained ◽  
Star Polymer ◽  
Linear Chains ◽  
Coarse Grained Simulations

Molecular simulation of the shape deformation of a polymersome

Soft Matter ◽  
2020 ◽  
Vol 16 (13) ◽  
pp. 3234-3244 ◽  
Author(s):  
Kaushik Chakraborty ◽  
Wataru Shinoda ◽  
Sharon M. Loverde
Keyword(s):  
Molecular Simulation ◽  
Molecular Level ◽  
Coarse Grained ◽  
Shape Deformation ◽  
Coarse Grained Simulations

Coarse-grained simulations characterizing the molecular level response during contraction of a polymer vesicle.

scholarly journals Self-assembly behaviours of primitive and modern lipid membrane solutions: a coarse-grained molecular simulation study

2016 ◽  
Vol 18 (28) ◽  
pp. 19426-19432 ◽  
Author(s):  
Noriyoshi Arai ◽  
Yuki Yoshimoto ◽  
Kenji Yasuoka ◽  
Toshikazu Ebisuzaki
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Self Assembly ◽  
Lipid Membrane ◽  
Water Systems ◽  
Coarse Grained ◽  
Early Earth

This paper presents a method to systematically model the behaviour of prebiotic lipid–water systems over a range of plausible early Earth conditions.

Xenon NMR of liquid crystals confined to cylindrical nanocavities: a simulation study

2015 ◽  
Vol 17 (11) ◽  
pp. 7158-7171 ◽  
Author(s):  
Jouni Karjalainen ◽  
Juha Vaara ◽  
Michal Straka ◽  
Perttu Lantto
Keyword(s):  
Liquid Crystals ◽  
Simulation Study ◽  
Orientational Order ◽  
Coarse Grained ◽  
Coarse Grained Simulations ◽  
Xenon Nmr

Coarse-grained simulations show that the 129Xe NMR shielding reflects the smooth changes of orientational order in liquid crystals confined to nanocavities.

scholarly journals pH-dependent response of coiled coils: a coarse-grained molecular simulation study

2013 ◽  
Vol 111 (22-23) ◽  
pp. 3363-3371 ◽  
Author(s):  
Marta Enciso ◽  
Christof Schütte ◽  
Luigi Delle Site
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Coiled Coils ◽  
Coarse Grained ◽  
Ph Dependent
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