ArticleBiophysical journal2009
On the utilization of energy minimization to the study of ion selectivity.
Article in Biophysical journal, 2009. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
9 citing papers in PubMed.
- The Effects of Conformational Sampling and QM Region Size in QM/MM Simulations: An Adaptive QM/MM Study With Model Systems.Journal of computational chemistry · 2025Article
- Ion binding sites and their representations by reduced models.The journal of physical chemistry. B · 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
- Ion selectivity in channels and transporters.The Journal of general physiology · 2011Review
- Selective complexation of K+ and Na+ in simple polarizable ion-ligating systems.Journal of the American Chemical Society · 2010Article
- Assessing the accuracy of approximate treatments of ion hydration based on primitive quasichemical theory.The Journal of chemical physics · 2010Article
- Exploring the ion selectivity properties of a large number of simplified binding site models.Biophysical journal · 2010Article
- Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field.Journal of chemical theory and computation · 2010Article
Corrections and comments
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Authors and funding
2 authors.
Funding
Abstract
The major pitfalls in studying ion selectivity in binding site models using energy minimization based methods are examined and discussed. It is shown that the properties derived from energy minimization are strongly configuration-dependent and that the results should be interpreted with caution. It is concluded that computational studies of ion selectivity must include thermal fluctuations and entropic effects.
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What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.