<div><p>Electrical forces are the background of all the interactions occurring in biochemical systems. From here and by using a combination of <i>ab-initio</i> and <i>ad-hoc</i> models, we introduce the first description of electric field profiles with intrabond resolution to support a characterization of single bond forces attending to its electrical origin. This fundamental issue has eluded a physical description so far. Our method is applied to describe hydrogen bonds (HB) in DNA base pairs. Numerical results reveal that base pairs in DNA could be equivalent considering HB strength contributions, which challenges previous interpretations of thermodynamic properties of DNA based on the assumption that Adenine/Thymine pairs are weaker than...
The Roothaan equations have been recently modified for computing molecular interactions between weak...
Up till now, there has been a significant disagreement between theory and experiment regarding hydro...
The Roothaan equations have been recently modified for computing molecular interactions between weak...
Electrical forces are the background of all the interactions occurring in biochemical systems. From ...
Electrical forces are the background of all the interactions occurring in biochemical systems. From ...
The hydrogen bonds in DNA Watson–Crick base pairs have long been considered predominantly electrosta...
The characterization of hydrogen bonds (H bonds) present in various canonical and noncanonical base ...
In this Chapter, we discuss how the hydrogen bonds in Watson-Crick base pairs can be tuned both stru...
The main idea of the current review is to present methods useful to characterize the strength of ind...
The hydrogen bonding patterns in the adenine-thymine (A-T) and guanine-cytosine (G-C) base pairs for...
<p>Hydrogen bonds of C and T with bulk water are listed, too. G and A are the corresponding bases on...
We have theoretically analyzed a complete series of Watson–Crick and mismatched DNA base pairs, both...
A first principles model for calculating hydrogen bonding interactions, previously applied to water,...
The two strands of a helical molecule of DNA are held together by hydrogen-bonding between complemen...
A new local information entropy View the MathML source(S(r⃗)→HB) has been defined based ...
The Roothaan equations have been recently modified for computing molecular interactions between weak...
Up till now, there has been a significant disagreement between theory and experiment regarding hydro...
The Roothaan equations have been recently modified for computing molecular interactions between weak...
Electrical forces are the background of all the interactions occurring in biochemical systems. From ...
Electrical forces are the background of all the interactions occurring in biochemical systems. From ...
The hydrogen bonds in DNA Watson–Crick base pairs have long been considered predominantly electrosta...
The characterization of hydrogen bonds (H bonds) present in various canonical and noncanonical base ...
In this Chapter, we discuss how the hydrogen bonds in Watson-Crick base pairs can be tuned both stru...
The main idea of the current review is to present methods useful to characterize the strength of ind...
The hydrogen bonding patterns in the adenine-thymine (A-T) and guanine-cytosine (G-C) base pairs for...
<p>Hydrogen bonds of C and T with bulk water are listed, too. G and A are the corresponding bases on...
We have theoretically analyzed a complete series of Watson–Crick and mismatched DNA base pairs, both...
A first principles model for calculating hydrogen bonding interactions, previously applied to water,...
The two strands of a helical molecule of DNA are held together by hydrogen-bonding between complemen...
A new local information entropy View the MathML source(S(r⃗)→HB) has been defined based ...
The Roothaan equations have been recently modified for computing molecular interactions between weak...
Up till now, there has been a significant disagreement between theory and experiment regarding hydro...
The Roothaan equations have been recently modified for computing molecular interactions between weak...