Structure, dynamics, and elasticity of free 16s rRNA helix 44 studied by molecular dynamics simulations

Biopolymers ◽  
2006 ◽  
Vol 82 (5) ◽  
pp. 504-520 ◽  
Author(s):  
Kamila Réblová ◽  
Filip Lankas̆ ◽  
Filip Rázga ◽  
Maryna V. Krasovska ◽  
Jaroslav Koc̆a ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
16S Rrna ◽  
Molecular Dynamics Simulations ◽  
Structure Dynamics ◽  
Dynamics Simulations

Protic ammonium carboxylate ionic liquids: insight into structure, dynamics and thermophysical properties by alkyl group functionalization

2017 ◽  
Vol 19 (16) ◽  
pp. 10358-10370 ◽  
Author(s):  
Th. Dhileep N. Reddy ◽  
Bhabani S. Mallik
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulations ◽  
Thermophysical Properties ◽  
Alkyl Group ◽  
Structure Dynamics ◽  
Classical Molecular Dynamics ◽  
Dynamics Simulations ◽  
Insight Into

This study is aimed at characterising the structure, dynamics and thermophysical properties of five alkylammonium carboxylate ionic liquids (ILs) from classical molecular dynamics simulations.

Interaction of fullerene chains and a lipid membrane via computer simulations

RSC Advances ◽  
2014 ◽  
Vol 4 (57) ◽  
pp. 30215-30220 ◽  
Author(s):  
Wen-de Tian ◽  
Kang Chen ◽  
Yu-qiang Ma
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Computer Simulations ◽  
Membrane Structure ◽  
Lipid Membrane ◽  
Coarse Grained ◽  
Structure Dynamics ◽  
Dynamics Simulations ◽  
Fullerene Polymers ◽  
Coarse Grained Molecular Dynamics

Coarse-grained molecular dynamics simulations were employed to study the fullerene polymers with various functionalization degrees interacting with the DPPC membrane. Structure, dynamics, and thermodynamics of systems were analyzed.

Deconstructing the behavior of donor–acceptor copolymers in solution & the melt: the case of PTB7

2019 ◽  
Vol 21 (15) ◽  
pp. 7802-7813 ◽  
Author(s):  
Sean M. Ryno ◽  
Chad Risko
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Condensed Phase ◽  
Structure Dynamics ◽  
Donor Acceptor ◽  
Dynamics Simulations

Molecular dynamics simulations of the donor–acceptor copolymer PTB7 at near experimental scale reveal structure–dynamics correlations in the condensed phase.

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