The interaction between NaCl and 1,2-dimethoxyethylene is used to model ion binding to a neutral polymer. The relative binding energies involving different ion-polymer structures were calculated using minimal basis STO-3G ...

Experimental values of the free energies of cation binding to the cyclic depsipeptide molecule, valinomycin, obtained from Pedersen-type salt extraction measurements, provide data against which it is possible to test the ...

Aqueous sorption processes play an important role in, for example, pollutant binding to natural nanoparticles, colloid stability, separation and enrichment of components and remediation processes. In this article, which ...

As a step to increasing the reliability of the calculation of free energies underlying ion binding and transport in protein channels, free energy perturbation simulations have been performed for the binding of alkali-metal ...

Neurotransmitter receptors from the Cys-loop superfamily couple the binding of agonist to the opening of an intrinsic ion pore in the final step in rapid synaptic transmission. Although atomic resolution structural data ...

Previous studies have established the presence of overlapping binding sites for the noncompetitive antagonists (NCAs) amobarbital, tetracaine, and 3-trifluoromethyl-3-(m-[ 125 I]iodophenyl) diazirine ([ 125 I]TID) within ...

1. 1. The inhibition of matrix-induced alkaline phosphatase by zinc ions is due to the displacement of magnesium ions from its binding site. 2. 2. Binding of magnesium ions to alkaline phosphatase induces conformational ...

GABAA receptor (GABAAR) constitutes the main inhibitory receptor of the central nervous system. Due to the wide distribution and activity of its main neurotransmitter agonist, the γ-aminobutyric acid (GABA), its pharmacology ...