Noncovalent interactions, use

Torres, E., and DiLabio, G. A. [2012]. A [neariy] universaiiy applicable method for modeling noncovalent interactions using B3LYP, J. Phys. Chem. Lett 3, pp. 1738-1744, doi 10.1021/jz300554y. 

Rule 9 For week noncovalent interactions, using nonpolar, nonhydrogen-bonding... 

Self-sorting under kinetic control has also been reported [75]. However, due to the dynamic nature of the noncovalent interactions used in polymer self-assembly, the products of self-sorting usually cannot be isolated when they form in solution. 

Examples from other groups include gas-phase thermal dissociation experiments, implemented with blackbody infrared radiative dissociation (BIRD) and FT-ICR MS on a series of protein-carbohydrate complexes, and the detection of fusion peptide-phospholipid noncovalent interactions using nano-ESI FTICR-MS. An interesting example of protein-DNA interaction smdied by ESI-MS is the trp repressor-DNA operator complex. Escherichia coli trp apo-repressor (TrpR), a homodimer, is a DNA-binding protein that binds to two molecules of co-repressor L-tryptophan to form a holorepressor complex at higher salt concentrations. The mass spectrum of noncovalent... 

The term arene - arene interaction is used to denote the noncovalent interactions between two aromatic systems, without specifying their nature. 

For example, a polypeptide is synthesized as a linear polymer derived from the 20 natural amino acids by translation of a nucleotide sequence present in a messenger RNA (mRNA). The mature protein exists as a weU-defined three-dimensional stmcture. The information necessary to specify the final (tertiary) stmcture of the protein is present in the molecule itself, in the form of the specific sequence of amino acids that form the protein (57). This information is used in the form of myriad noncovalent interactions (such as those in Table 1) that first form relatively simple local stmctural motifs (helix... 

In most cases the initial interactions between the enzyme and the substrate molecule (i.e., the initial binding event) are noncovalent, making use of hydrogen bonding, electrostatic, hydrophobic interactions, and van der Waals forces to effect binding. 

The gel properties will also be influenced by many other parameters including the nature of the cross-links, synthesis conditions, type and concentration of initiator used, phase separation, and the presence of noncovalent interactions such as hydrogen bonding and hydrophobic interactions. Nonetheless, the gel properties depend primarily upon the monomers used. 

Noncovalent interactions, both inter- and intramolecular, are of considerable importance in determining the physical properties of molecules. Such interactions can be classified as hydrogen-bonding or non-hydrogen-bonding. In this section we will explore some recent uses of the electrostatic potential in the analysis of both types. 

The use of the electrostatic potential in analyzing and predicting molecular interactive behavior and properties has increased remarkably over the past 25 years. In 1980, it was still reasonable to hope to at least mention, in one lengthy review chapter (Politzer and Daiker 1981), all of the papers that had been published in this area. In 1996, such an objective would be ridiculous. This popularity can be attributed to (a) the insight that V(r) can provide, especially into noncovalent interactions, and (b) the widespread availability of computational software packages of which it has become a standard feature. 

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