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GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation.

Hess B, Kutzner C, van der Spoel D, Lindahl E.

J Chem Theory Comput. 2008 Mar;4(3):435-47. doi: 10.1021/ct700301q.


In search of a consensus model of the resting state of a voltage-sensing domain.

Vargas E, Bezanilla F, Roux B.

Neuron. 2011 Dec 8;72(5):713-20. doi: 10.1016/j.neuron.2011.09.024.


Contributions of counter-charge in a potassium channel voltage-sensor domain.

Pless SA, Galpin JD, Niciforovic AP, Ahern CA.

Nat Chem Biol. 2011 Jul 24;7(9):617-23. doi: 10.1038/nchembio.622.


Mutations within the S4-S5 linker alter voltage sensor constraints in hERG K+ channels.

Van Slyke AC, Rezazadeh S, Snopkowski M, Shi P, Allard CR, Claydon TW.

Biophys J. 2010 Nov 3;99(9):2841-52. doi: 10.1016/j.bpj.2010.08.030. Erratum in: Biophys J. 2011 Dec 21;101(12):3008.


Effect of sensor domain mutations on the properties of voltage-gated ion channels: molecular dynamics studies of the potassium channel Kv1.2.

Delemotte L, Treptow W, Klein ML, Tarek M.

Biophys J. 2010 Nov 3;99(9):L72-4. doi: 10.1016/j.bpj.2010.08.069. Erratum in: Biophys J. 2011 Jan 5;100(1):269. Biophys J. 2010 Dec 1;99(11):3859.


KCNQ1 channels voltage dependence through a voltage-dependent binding of the S4-S5 linker to the pore domain.

Choveau FS, Rodriguez N, Abderemane Ali F, Labro AJ, Rose T, Dahimène S, Boudin H, Le Hénaff C, Escande D, Snyders DJ, Charpentier F, Mérot J, Baró I, Loussouarn G.

J Biol Chem. 2011 Jan 7;286(1):707-16. doi: 10.1074/jbc.M110.146324. Epub 2010 Oct 12.


Ion channel voltage sensors: structure, function, and pathophysiology.

Catterall WA.

Neuron. 2010 Sep 23;67(6):915-28. doi: 10.1016/j.neuron.2010.08.021. Review.


Calculation of the gating charge for the Kv1.2 voltage-activated potassium channel.

Khalili-Araghi F, Jogini V, Yarov-Yarovoy V, Tajkhorshid E, Roux B, Schulten K.

Biophys J. 2010 May 19;98(10):2189-98. doi: 10.1016/j.bpj.2010.02.056.


State-dependent electrostatic interactions of S4 arginines with E1 in S2 during Kv7.1 activation.

Wu D, Delaloye K, Zaydman MA, Nekouzadeh A, Rudy Y, Cui J.

J Gen Physiol. 2010 Jun;135(6):595-606. doi: 10.1085/jgp.201010408. Epub 2010 May 17.


An iris-like mechanism of pore dilation in the CorA magnesium transport system.

Chakrabarti N, Neale C, Payandeh J, Pai EF, Pomès R.

Biophys J. 2010 Mar 3;98(5):784-92. doi: 10.1016/j.bpj.2009.11.009.


Two separate interfaces between the voltage sensor and pore are required for the function of voltage-dependent K(+) channels.

Lee SY, Banerjee A, MacKinnon R.

PLoS Biol. 2009 Mar 3;7(3):e47. doi: 10.1371/journal.pbio.1000047.


The membrane potential and its representation by a constant electric field in computer simulations.

Roux B.

Biophys J. 2008 Nov 1;95(9):4205-16. doi: 10.1529/biophysj.108.136499. Epub 2008 Jul 18.


Extent of voltage sensor movement during gating of shaker K+ channels.

Posson DJ, Selvin PR.

Neuron. 2008 Jul 10;59(1):98-109. doi: 10.1016/j.neuron.2008.05.006.


Modeling membranes under a transmembrane potential.

Delemotte L, Dehez F, Treptow W, Tarek M.

J Phys Chem B. 2008 May 8;112(18):5547-50. doi: 10.1021/jp710846y. Epub 2008 Apr 16.


Closing in on the resting state of the Shaker K(+) channel.

Pathak MM, Yarov-Yarovoy V, Agarwal G, Roux B, Barth P, Kohout S, Tombola F, Isacoff EY.

Neuron. 2007 Oct 4;56(1):124-40.


The glycosylation state of Kv1.2 potassium channels affects trafficking, gating, and simulated action potentials.

Watanabe I, Zhu J, Sutachan JJ, Gottschalk A, Recio-Pinto E, Thornhill WB.

Brain Res. 2007 May 4;1144:1-18. Epub 2007 Jan 31.


Canonical sampling through velocity rescaling.

Bussi G, Donadio D, Parrinello M.

J Chem Phys. 2007 Jan 7;126(1):014101.


Voltage sensor conformations in the open and closed states in ROSETTA structural models of K(+) channels.

Yarov-Yarovoy V, Baker D, Catterall WA.

Proc Natl Acad Sci U S A. 2006 May 9;103(19):7292-7. Epub 2006 Apr 28.


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