ArticleBiophysical journal2009
Statistical determinants of selective ionic complexation: ions in solvent, transport proteins, and other "hosts".
Article in Biophysical journal, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed.
- The Role of Architectural Forces in Ion Selectivity.Advances in experimental medicine and biology · 2026Article
- Fluoride Transport and Inhibition Across CLC Transporters.Handbook of experimental pharmacology · 2024Article
- Role of metagenomics in prospecting novel endoglucanases, accentuating functional metagenomics approach in second-generation biofuel production: a review.Biomass conversion and biorefinery · 2023Review
- Article
- Membrane Exporters of Fluoride Ion.Annual review of biochemistry · 2021Review
- An entropic mechanism of generating selective ion binding in macromolecules.PLoS computational biology · 2013Article
- Ion binding sites and their representations by reduced models.The journal of physical chemistry. B · 2012Article
- Ionizable side chains at catalytic active sites of enzymes.European biophysics journal : EBJ · 2012Article
- Probing the thermodynamics of competitive ion binding using minimum energy structures.The journal of physical chemistry. B · 2011Article
- Perspectives on: ion selectivity: design principles for K+ selectivity in membrane transport.The Journal of general physiology · 2011Article
- Thermodynamics of ion selectivity in the KcsA K+ channel.The Journal of general physiology · 2011Review
- Ion selectivity in channels and transporters.The Journal of general physiology · 2011Review
- Dehydration and ionic conductance quantization in nanopores.Journal of physics. Condensed matter : an Institute of Physics journal · 2010Article
- Multiple Scales in the Simulation of Ion Channels and Proteins.The journal of physical chemistry. C, Nanomaterials and interfaces · 2010Article
- Selective complexation of K+ and Na+ in simple polarizable ion-ligating systems.Journal of the American Chemical Society · 2010Article
- Exploring the ion selectivity properties of a large number of simplified binding site models.Biophysical journal · 2010Article
- Ion selectivity from local configurations of ligands in solutions and ion channels.Chemical physics letters · 2010Article
- K+/Na+ selectivity in toy cation binding site models is determined by the 'host'.Biophysical journal · 2009Article
Corrections and comments
- Erratum issued
Authors and funding
2 authors.
Funding
Abstract
To provide utility in understanding the molecular evolution of ion-selective biomembrane channels/transporters, globular proteins, and ionophoric compounds, as well as in guiding their modification and design, we present a statistical mechanical basis for deconstructing the impact of the coordination structure and chemistry of selective multidentate ionic complexes. The deconstruction augments familiar ideas in liquid structure theory to realize the ionic complex as an open ion-ligated system acting under the influence of an "external field" provided by the host (or surrounding medium). Using considerations derived from this basis, we show that selective complexation arises from exploitation of a particular ion's coordination preferences. These preferences derive from a balance of interactions much like that which dictates the Hofmeister effect. By analyzing the coordination-state space of small family IA and VIIA ions in simulated fluid media, we derive domains of coordinated states that confer selectivity for a given ion upon isolating and constraining particular attributes (order parameters) of a complex comprised of a given type of ligand. We demonstrate that such domains may be used to rationalize the ion-coordinated environments provided by selective ionophores and biological ion channels/transporters of known structure, and that they can serve as a means toward deriving rational design principles for ion-selective hosts.
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