Molecular Dynamics Simulations of Nucleic Acids with a Generalized Born Solvation Model

2000 ◽  
Vol 122 (11) ◽  
pp. 2489-2498 ◽  
Author(s):  
Vickie Tsui ◽  
David A. Case
Keyword(s):  
Molecular Dynamics ◽  
Nucleic Acids ◽  
Molecular Dynamics Simulations ◽  
Solvation Model ◽  
Generalized Born ◽  
Dynamics Simulations

Solvation chemical shifts of perylenic antenna molecules from molecular dynamics simulations

2014 ◽  
Vol 16 (40) ◽  
pp. 22309-22320 ◽  
Author(s):  
Nergiz Özcan ◽  
Jiří Mareš ◽  
Dage Sundholm ◽  
Juha Vaara
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Chemical Shifts ◽  
Solvation Model ◽  
Nmr Chemical Shifts ◽  
Dynamics Simulations ◽  
Distinct Features

Solvent-induced carbon-13 NMR chemical shifts of nine candidate antenna molecules were analysed using a dynamic solvation model, revealing the distinct features of perimeter and inside nuclear sites.

Recognition of RNA by Amide Modified Backbone Nucleic Acids:  Molecular Dynamics Simulations of DNA−RNA Hybrids in Aqueous Solution

2005 ◽  
Vol 127 (16) ◽  
pp. 6027-6038 ◽  
Author(s):  
Mafalda Nina ◽  
Raymonde Fonné-Pfister ◽  
Renaud Beaudegnies ◽  
Habiba Chekatt ◽  
Pierre M. J. Jung ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Nucleic Acids ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations

Design and characterization of symmetric nucleic acids via molecular dynamics simulations

Biopolymers ◽  
2017 ◽  
Vol 107 (4) ◽  
pp. e23002 ◽  
Author(s):  
Pradeep Pant ◽  
Saher Afshan Shaikh ◽  
B. Jayaram
Keyword(s):  
Molecular Dynamics ◽  
Nucleic Acids ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations
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