Strontium and barium in aqueous solution and a potassium channel binding site
- Authors:
-
- Center for Biological and Engineering Sciences, Sandia National Laboratories, Albuquerque, New Mexico 87185, USA
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1433743
- Grant/Contract Number:
- NA0003525
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Journal of Chemical Physics
- Additional Journal Information:
- Journal Name: Journal of Chemical Physics Journal Volume: 148 Journal Issue: 22; Journal ID: ISSN 0021-9606
- Publisher:
- American Institute of Physics
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Chaudhari, Mangesh I., and Rempe, Susan B. Strontium and barium in aqueous solution and a potassium channel binding site. United States: N. p., 2018.
Web. doi:10.1063/1.5023130.
Chaudhari, Mangesh I., & Rempe, Susan B. Strontium and barium in aqueous solution and a potassium channel binding site. United States. https://doi.org/10.1063/1.5023130
Chaudhari, Mangesh I., and Rempe, Susan B. Thu .
"Strontium and barium in aqueous solution and a potassium channel binding site". United States. https://doi.org/10.1063/1.5023130.
@article{osti_1433743,
title = {Strontium and barium in aqueous solution and a potassium channel binding site},
author = {Chaudhari, Mangesh I. and Rempe, Susan B.},
abstractNote = {},
doi = {10.1063/1.5023130},
journal = {Journal of Chemical Physics},
number = 22,
volume = 148,
place = {United States},
year = {Thu Jun 14 00:00:00 EDT 2018},
month = {Thu Jun 14 00:00:00 EDT 2018}
}
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https://doi.org/10.1063/1.5023130
https://doi.org/10.1063/1.5023130
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Cited by: 15 works
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Works referenced in this record:
K + Channel Modulators for the Treatment of Neurological Disorders and Autoimmune Diseases
journal, May 2008
- Wulff, Heike; Zhorov, Boris S.
- Chemical Reviews, Vol. 108, Issue 5
Toxins Targeting the KV1.3 Channel: Potential Immunomodulators for Autoimmune Diseases
journal, May 2015
- Zhao, Yipeng; Huang, Jie; Yuan, Xiaolu
- Toxins, Vol. 7, Issue 5
The Hydration Number of Li + in Liquid Water
journal, February 2000
- Rempe, Susan B.; Pratt, Lawrence R.; Hummer, Gerhard
- Journal of the American Chemical Society, Vol. 122, Issue 5
Role of methyl-induced polarization in ion binding
journal, July 2013
- Rossi, M.; Tkatchenko, A.; Rempe, S. B.
- Proceedings of the National Academy of Sciences, Vol. 110, Issue 32
Ionic interactions of Ba 2+ blockades in the MthK K + channel
journal, July 2014
- Guo, Rui; Zeng, Weizhong; Cui, Hengjun
- The Journal of General Physiology, Vol. 144, Issue 2
The roles of K+ channels in cancer
journal, December 2013
- Pardo, Luis A.; Stühmer, Walter
- Nature Reviews Cancer, Vol. 14, Issue 1
The conserved potassium channel filter can have distinct ion binding profiles: Structural analysis of rubidium, cesium, and barium binding in NaK2K
journal, July 2014
- Lam, Yee Ling; Zeng, Weizhong; Sauer, David Bryant
- The Journal of General Physiology, Vol. 144, Issue 2
Activation and Two Modes of Blockade by Strontium of Ca 2+ -activated K + Channels in Goldfish Saccular Hair Cells
journal, February 1998
- Sugihara, Izumi
- The Journal of General Physiology, Vol. 111, Issue 2
Chemistry of ion coordination and hydration revealed by a K+ channel–Fab complex at 2.0 Å resolution
journal, November 2001
- Zhou, Yufeng; Morais-Cabral, João H.; Kaufman, Amelia
- Nature, Vol. 414, Issue 6859
Design principles for K + selectivity in membrane transport
journal, May 2011
- Varma, Sameer; Rogers, David M.; Pratt, Lawrence R.
- The Journal of General Physiology, Vol. 137, Issue 6
K+/Na+ Selectivity in K Channels and Valinomycin: Over-coordination Versus Cavity-size constraints
journal, February 2008
- Varma, Sameer; Sabo, Dubravko; Rempe, Susan B.
- Journal of Molecular Biology, Vol. 376, Issue 1
Coordination numbers of alkali metal ions in aqueous solutions
journal, December 2006
- Varma, Sameer; Rempe, Susan B.
- Biophysical Chemistry, Vol. 124, Issue 3
Structure of the Solvated Strontium and Barium Ions in Aqueous, Dimethyl Sulfoxide and Pyridine Solution, and Crystal Structure of Strontium and Barium Hydroxide Octahydrate
journal, January 1995
- Persson, Ingmar; Sandström, Magnus; Yokoyama, Haruhiko
- Zeitschrift für Naturforschung A, Vol. 50, Issue 1
Block of squid axon K channels by internally and externally applied barium ions
journal, November 1982
- Armstrong, C. M.
- The Journal of General Physiology, Vol. 80, Issue 5
Structure and dynamics of hydrated ions
journal, May 1993
- Ohtaki, Hitoshi.; Radnai, Tamas.
- Chemical Reviews, Vol. 93, Issue 3
Dispersion- and Exchange-Corrected Density Functional Theory for Sodium Ion Hydration
journal, June 2015
- Soniat, Marielle; Rogers, David M.; Rempe, Susan B.
- Journal of Chemical Theory and Computation, Vol. 11, Issue 7
Quasi-chemical theory of F − (aq): The “no split occupancies rule” revisited
journal, October 2017
- Chaudhari, Mangesh I.; Rempe, Susan B.; Pratt, Lawrence R.
- The Journal of Chemical Physics, Vol. 147, Issue 16
An XAFS Study of Strontium Ions and Krypton in Supercritical Water
journal, December 1994
- Pfund, David M.; Darab, John G.; Fulton, John L.
- The Journal of Physical Chemistry, Vol. 98, Issue 50
Ion selectivity from local configurations of ligands in solutions and ion channels
journal, January 2010
- Asthagiri, D.; Dixit, P. D.; Merchant, S.
- Chemical Physics Letters, Vol. 485, Issue 1-3
The Potential Distribution Theorem and Models of Molecular Solutions
book, January 2006
- Beck, Tom L.; Paulaitis, Michael E.; Pratt, Lawrence R.
- Cambridge University Press
Chemical accuracy for the van der Waals density functional
journal, December 2009
- Klimeš, Jiří; Bowler, David R.; Michaelides, Angelos
- Journal of Physics: Condensed Matter, Vol. 22, Issue 2
Ion-Specific Effects in Carboxylate Binding Sites
journal, November 2016
- Stevens, Mark J.; Rempe, Susan L. B.
- The Journal of Physical Chemistry B, Vol. 120, Issue 49
Octa-Coordination and the Aqueous Ba 2+ Ion
journal, July 2015
- Chaudhari, Mangesh I.; Soniat, Marielle; Rempe, Susan B.
- The Journal of Physical Chemistry B, Vol. 119, Issue 28
Structure of a pore-blocking toxin in complex with a eukaryotic voltage-dependent K+ channel
journal, May 2013
- Banerjee, Anirban; Lee, Alice; Campbell, Ernest
- eLife, Vol. 2
Ion solvation and water structure in potassium halide aqueous solutions
journal, December 2006
- Soper, Alan K.; Weckström, Kristian
- Biophysical Chemistry, Vol. 124, Issue 3
Anomalous x-ray diffraction studies of Sr2+ hydration in aqueous solution
journal, March 2003
- Ramos, S.; Neilson, G. W.; Barnes, A. C.
- The Journal of Chemical Physics, Vol. 118, Issue 12
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
journal, September 1992
- Perdew, John P.; Chevary, J. A.; Vosko, S. H.
- Physical Review B, Vol. 46, Issue 11
Utility of chemical computations in predicting solution free energies of metal ions
journal, June 2017
- Chaudhari, Mangesh I.; Pratt, Lawrence R.; Rempe, Susan B.
- Molecular Simulation, Vol. 44, Issue 2
A Computational Exercise Illustrating Molecular Vibrations and Normal Modes
journal, August 1998
- Rempe, Susan B.; J�Nsson, Hannes
- The Chemical Educator, Vol. 3, Issue 4
Probing the Thermodynamics of Competitive Ion Binding Using Minimum Energy Structures
journal, July 2011
- Rogers, David M.; Rempe, Susan B.
- The Journal of Physical Chemistry B, Vol. 115, Issue 29
Tuning Ion Coordination Architectures to Enable Selective Partitioning
journal, August 2007
- Varma, Sameer; Rempe, Susan B.
- Biophysical Journal, Vol. 93, Issue 4
Structural and Thermodynamic Properties of Selective Ion Binding in a K+ Channel
journal, May 2007
- Lockless, Steve W.; Zhou, Ming; MacKinnon, Roderick
- PLoS Biology, Vol. 5, Issue 5
A simple empirical model describing the thermodynamics of hydration of ions of widely varying charges, sizes, and shapes
journal, August 1994
- Marcus, Yizhak
- Biophysical Chemistry, Vol. 51, Issue 2-3
Organic Toxins as Tools to Understand Ion Channel Mechanisms and Structure
journal, March 2015
- Morales-Lazaro, Sara; Hernandez-Garcia, Enrique; Serrano-Flores, Barbara
- Current Topics in Medicinal Chemistry, Vol. 15, Issue 7
Novel insights into K+ selectivity from high-resolution structures of an open K+ channel pore
journal, August 2010
- Ye, Sheng; Li, Yang; Jiang, Youxing
- Nature Structural & Molecular Biology, Vol. 17, Issue 8
Quantum Mechanical Continuum Solvation Models
journal, August 2005
- Tomasi, Jacopo; Mennucci, Benedetta; Cammi, Roberto
- Chemical Reviews, Vol. 105, Issue 8
Localization of Divalent Cation-Binding Site in the Pore of a Small Conductance Ca2+-Activated K+ Channel and Its Role in Determining Current-Voltage Relationship
journal, November 2002
- Soh, Heun; Park, Chul-Seung
- Biophysical Journal, Vol. 83, Issue 5
The Barium Site in a Potassium Channel by X-Ray Crystallography: Figure 1
journal, February 2000
- Jiang, Youxing; MacKinnon, Roderick
- The Journal of General Physiology, Vol. 115, Issue 3
Neutron Scattering Studies of the Hydration Structure of Li +
journal, January 2015
- Mason, P. E.; Ansell, S.; Neilson, G. W.
- The Journal of Physical Chemistry B, Vol. 119, Issue 5
Computing the 7Li NMR chemical shielding of hydrated Li+ using cluster calculations and time-averaged configurations from ab initio molecular dynamics simulations
journal, January 2011
- Alam, Todd M.; Hart, David; Rempe, Susan L. B.
- Physical Chemistry Chemical Physics, Vol. 13, Issue 30
Case study of Rb+(aq), quasi-chemical theory of ion hydration, and the no split occupancies rule
journal, January 2013
- Sabo, D.; Jiao, D.; Varma, S.
- Annual Reports Section "C" (Physical Chemistry), Vol. 109
Hydration of Sr 2 + in Hydrothermal Solutions from ab Initio Molecular Dynamics
journal, August 2003
- Harris, D. J.; Brodholt, J. P.; Sherman, D. M.
- The Journal of Physical Chemistry B, Vol. 107, Issue 34
Potassium-selective block of barium permeation through single KcsA channels
journal, September 2011
- Piasta, Kene N.; Theobald, Douglas L.; Miller, Christopher
- The Journal of General Physiology, Vol. 138, Issue 4