Theoretical Study of Binding of Hydrated Zn(II) and Mg(II) Cations to 5‘-Guanosine Monophosphate. Toward Polarizable Molecular Mechanics for DNA and RNA

2003 ◽  
Vol 107 (33) ◽  
pp. 8669-8681 ◽  
Author(s):  
Nohad Gresh ◽  
Judit E. Šponer ◽  
Nad'a Špačková ◽  
Jerzy Leszczynski ◽  
Jiři Šponer
Keyword(s):  
Molecular Mechanics ◽  
Theoretical Study ◽  
Guanosine Monophosphate ◽  
Dna And Rna

On the interaction of rubidium and cesium mono-, strontium and barium bi-cations with DNA and RNA bases. A theoretical study

2009 ◽  
Vol 110 (1) ◽  
pp. 138-147 ◽  
Author(s):  
Tiziana Marino ◽  
Donatella Mazzuca ◽  
Nino Russo ◽  
Marirosa Toscano ◽  
Andre Grand
Keyword(s):  
Theoretical Study ◽  
Dna And Rna ◽  
Rna Bases

scholarly journals Molecular Mechanics Study of the Cyclic and Unsymmetric Diborane(4) Compounds

2003 ◽  
Vol 3 ◽  
pp. 636-639
Author(s):  
N. Rendtorff ◽  
E. A. Castro
Keyword(s):  
Experimental Data ◽  
Molecular Mechanics ◽  
Satisfactory Agreement ◽  
Theoretical Study ◽  
Relative Stabilities ◽  
Molecular Mechanics Method ◽  
Energy Components

The results of a theoretical study on the structure of some diborane(4) compounds are presented in order to analyze the issue related to the relative stabilities of the 1,1- vs. 1,2-isomers. Through the employment of the molecular mechanics method, characteristic distances and angles are given and they are compared with available experimental data. In order to rationalize the results, the different energy components are discussed in a comparative fashion. We find a rather satisfactory agreement between theoretical and experimental data. Some possible future extensions are pointed out to complement this sort of analysis.

Sign in / Sign up

Export Citation Format

Share Document