scholarly journals Role of stacking interactions in the binding sequence preferences of DNA bis-intercalators: insight from thermodynamic integration free energy simulations

2005 ◽  
Vol 33 (19) ◽  
pp. 6214-6224 ◽  
Author(s):  
E. Marco
Keyword(s):  
Free Energy ◽  
Thermodynamic Integration ◽  
Stacking Interactions ◽  
Energy Simulations ◽  
Binding Sequence

scholarly journals Role of the Active Site Guanine in theglmSRibozyme Self-Cleavage Mechanism: Quantum Mechanical/Molecular Mechanical Free Energy Simulations

2015 ◽  
Vol 137 (2) ◽  
pp. 784-798 ◽  
Author(s):  
Sixue Zhang ◽  
Abir Ganguly ◽  
Puja Goyal ◽  
Jamie L. Bingaman ◽  
Philip C. Bevilacqua ◽  
...  
Keyword(s):  
Free Energy ◽  
Active Site ◽  
Quantum Mechanical ◽  
Energy Simulations
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