Intermolecular electrostatic interactions

This packing of the tropocollagen molecules with a displacement of 67 nm is caused by repeating clusters of charged and uncharged residues along the polypeptide chains with a periodicity of 67 nm. Hence the maximum number of intermolecular interactions (electrostatic and hydrophobic) is formed when the tropocollagen molecules are displaced by multiples of 67 nm. 

The various properties of molecules that can be used in a QSAR are often designed to quantitate the tendency of the molecules to participate in one of the fundamental types of intermolecular interactions electrostatic, hydrogen bonding, dispersion forces, and hydrophobic interactions. In addition, the possibility of steric interference with an interaction is considered. Other methods capitalize on the fact that the 2D structure of a molecule indirectly encodes its properties, instead generate descriptors without an explicit relationship to some physical property. 

A second interfacially active component may also induce the surface activity of weakly surface-active proteins due to strong intermolecular interactions. Electrostatic interactions from anionic bile salts enhance the adsorption of cationic chitosan on emulsion droplets emulsified by using a mixture of phospholipids, cholesterol and such bile salts. Carrageenan interacts strongly with milk proteins, which is of importance in relation to the association to emulsions and to its application in stabilizing neutral dairy products. 

Halgren T A 1996b. Merck Molecular Force Field II MMEF94 van der Waals and Electrostatic Parameters for Intermolecular Interactions. Journal of Computational Chemistry 17 520-552. 

In a solution of a solute in a solvent there can exist noncovalent intermolecular interactions of solvent-solvent, solvent-solute, and solute—solute pairs. The noncovalent attractive forces are of three types, namely, electrostatic, induction, and dispersion forces. We speak of forces, but physical theories make use of intermolecular energies. Let V(r) be the potential energy of interaction of two particles and F(r) be the force of interaction, where r is the interparticle distance of separation. Then these quantities are related by... 

Halgren TA. Merck molecular force field. II. MMFF94 van der Waals and electrostatic parameters for intermolecular interactions. J Comput Chem... 

The thermodynamic approach followed by Raevsky considers the property P to be based on contributions from three main intermolecular interactions steric, electrostatic and H-bonding [38] ... 

Piquemal J-P, Gresh N, Giessner-Prettre C (2003) Improved formulas for the calculation of the electrostatic contribution to intermolecular interaction energy from multipolar expansion of the electronic distribution. J Phys Chem A 107 10353... 

Gresh N, Piquemal J-P, Krauss M (2005) Representation of Zn(II) complexes in polarizable molecular mechanics. Further refinements of the electrostatic and short-range contribution of the intermolecular interaction energy. Comparisons with parallel ab initio computations. J Comput Chem 26 1113... 

Ferenczy GG, Winn PJ, Reynolds CA, Richter G (1997) Effective distributed multipoles for the quantitative description of electrostatics and polarisation in intermolecular interactions. Abs Papers Am Chem Soc 214 38-COMP... 

A virtue of the potential distribution theorem approach is that it enables precise assessment of the differing consequences of intermolecular interactions of differing types. Here we use that feature to inquire into the role of electrostatic interactions in biomolecular hydration. 

Brinck, T., J. S. Murray, and P. Politzer. 1992b. Surface Electrostatic Potentials of Halogenated Methanes as Indicators of Directional Intermolecular Interactions. Int. J. Quant. Chem., Quant. Biol. Symp. 19, 57. 

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