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Hydrophobic Interactions HINT

The HINT method [49-51] refers to the idea of Abraham and Leo [52] that hydro-phobic fragment constants, reduced to atomic values, could be used to evaluate interactions between small and large molecules. The interaction energy term by scores atom-atom interactions ij) within or between the molecules using the following equation  [Pg.391]

Ion exchange chromatography, hydrophobic interaction chromatography (HlC), and affinity chromatography (AC) show some similarities concerning practical realization therefore, most of the hints given for lEC are applicable for HlC and AC. Examples for AC are given in Protocols 3.6.2.4 (biospecific desorption) and 3.6.2.5 (elution by partial denaturation). [Pg.102]

Kellogg and Abraham interaction field, also called Hydropathic Interactions (HINT), is a hydrophobic field calculated by Leo-Hansch hydrophobic fragmental constants scaled by surface area and a distance-dependent function [Kellogg, Semus et al, 1991 Kellogg and Abraham, 1992 Abraham and Kellogg, 1993]. Hydropathy is a term used in structural molecular biology to represent the hydrophobidty of amino acid side chains. [Pg.535]

One of the earliest efforts directed toward including hydrophobic effects in drug-receptor interactions is the hydropathic interaction (HINT) technique of Kellogg et al. > The HINT formalism is strongly rooted in the CLOGP... [Pg.147]

Two groups have developed hydrophobic fields for CoMFA 3D-QSAR applications. The HINT (hydrophobic interaction) program calculates the hydrophobic field of a molecule using Hansch-Leo hydrophobic constants scaled by surface area and a distance-dependent function. The MLP program... [Pg.207]

Thus the pairwise energy, equation (12), sums a hydrophobic/hydropathic component [equation (13)] and a Lennard-Jones type dispersion component [equation (14)]. Peculiar to HINT is the sign-flip function T jj of equation (13) which examines each atom-atom interaction and corrects the sign (T jj = 1) for polar interactions, e.g. those involved between acid and base functions and in hydrogen bonds. [Pg.61]

HINT = Hydropatic INTeractions molecular interaction fields ( hydrophobic fields)... [Pg.378]

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Hydrophobic interactions

Hydrophobic/hydrophobicity interactions

Hydrophobized interaction

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