ArticleJournal of molecular modeling2007
Ion conductance vs. pore gating and selectivity in KcsA channel: modeling achievements and perspectives.
Article in Journal of molecular modeling, 2007. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed, 25 citations in OpenAlex.
- Modeling Electronic Polarizability Changes in the Course of a Magnesium Ion Water Ligand Exchange Process.The journal of physical chemistry. B · 2015Article
- The open gate of the K(V)1.2 channel: quantum calculations show the key role of hydration.Biophysical journal · 2014Article
- Molecular modeling in structural nano-toxicology: interactions of nano-particles with nano-machinery of cells.Advanced drug delivery reviews · 2013Review
- Modeling and simulation of ion channels.Chemical reviews · 2012Review
- Voltage gated ion channel function: gating, conduction, and the role of water and protons.International journal of molecular sciences · 2012Review
- Charge density distributions derived from smoothed electrostatic potential functions: design of protein reduced point charge models.Journal of computer-aided molecular design · 2011Article
- Dynamics may significantly influence the estimation of interatomic distances in biomolecular X-ray structures.Journal of molecular biology · 2011Article
- A permeation theory for single-file ion channels: one- and two-step models.The Journal of chemical physics · 2011Article
- Conformational changes in the selectivity filter of the open-state KcsA channel: an energy minimization study.Biophysical journal · 2008Article
Corrections and comments
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Authors and funding
4 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
KcsA potassium channel belongs to a wide family of allosteric proteins that switch between closed and open states conformations in response to a stimulus, and act as a regulator of cation activity in living cells. The gating mechanism and cation selectivity of such channels have been extensively studied in the literature, with a revival emphasis these latter years, due to the publication of the crystallized structure of KcsA. Despite the increasing number of research and review papers on these topics, quantitative interpretation of these processes at the atomic scale is far from achieved. On the basis of available experimental and theoretical data, and by including our recent results, we review the progresses in this field of activity and discuss the weaknesses that should be corrected. In this spirit, we partition the channel into the filter, cavity, extra and intracellular media, in order to analyze separately the specificity of each region. Special emphasis is brought to the study of an open state for the channel and to the different properties generated by the opening. The influence of water as a structural and dynamical component of the channel properties in closed and open states, as well as in the sequential motions of the cations, is analyzed using molecular dynamics simulations and ab initio calculations. The polarization and charge transfer effects on the ions' dynamics and kinetics are discussed in terms of partial charge models.
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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.