How the Stabilization of INK4 Tumor Suppressor 3D Structure Evaluated by Quantum Chemical and Molecular Mechanics Calculations Corresponds Well with Experimental Results:  Interplay of Association Enthalpy, Entropy, and Solvation Effects

2006 ◽  
Vol 110 (9) ◽  
pp. 4423-4429 ◽  
Author(s):  
Michal Otyepka ◽  
Petr Sklenovský ◽  
Dominik Horinek ◽  
Tomáš Kubař ◽  
Pavel Hobza
Keyword(s):  
Tumor Suppressor ◽  
Molecular Mechanics ◽  
Quantum Chemical ◽  
3D Structure ◽  
Experimental Results ◽  
Molecular Mechanics Calculations ◽  
Solvation Effects

The conformational properties of calix[4]arenes 1h NMR and molecular mechanics calculations

1989 ◽  
Vol 86 ◽  
pp. 945-954 ◽  
Author(s):  
F. Bayard ◽  
D. Decoret ◽  
D. Pattou ◽  
J. Royer ◽  
A. Satrallah ◽  
...  
Keyword(s):  
Molecular Mechanics ◽  
1H Nmr ◽  
Molecular Mechanics Calculations ◽  
Conformational Properties

Molecular Mechanics Calculations and the Metal Ion Selective Extraction of Lanthanoids

1998 ◽  
Vol 37 (13) ◽  
pp. 3310-3315 ◽  
Author(s):  
Peter Comba ◽  
Karsten Gloe ◽  
Katsutoshi Inoue ◽  
Torsten Krüger ◽  
Holger Stephan ◽  
...  
Keyword(s):  
Molecular Mechanics ◽  
Metal Ion ◽  
Selective Extraction ◽  
Molecular Mechanics Calculations
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