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Items: 1 to 20 of 110

1.

Conformational changes and slow dynamics through microsecond polarized atomistic molecular simulation of an integral Kv1.2 ion channel.

Bjelkmar P, Niemelä PS, Vattulainen I, Lindahl E.

PLoS Comput Biol. 2009 Feb;5(2):e1000289. doi: 10.1371/journal.pcbi.1000289. Epub 2009 Feb 20.

2.

Atomic constraints between the voltage sensor and the pore domain in a voltage-gated K+ channel of known structure.

Lewis A, Jogini V, Blachowicz L, Lainé M, Roux B.

J Gen Physiol. 2008 Jun;131(6):549-61. doi: 10.1085/jgp.200809962.

3.

Environment of the gating charges in the Kv1.2 Shaker potassium channel.

Treptow W, Tarek M.

Biophys J. 2006 May 1;90(9):L64-6. Epub 2006 Mar 13.

4.

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.

5.

Molecular dynamic simulation of the Kv1.2 voltage-gated potassium channel in open and closed state conformations.

Han M, Zhang JZ.

J Phys Chem B. 2008 Dec 25;112(51):16966-74. doi: 10.1021/jp807905p.

PMID:
19093881
6.

Initial response of the potassium channel voltage sensor to a transmembrane potential.

Treptow W, Tarek M, Klein ML.

J Am Chem Soc. 2009 Feb 18;131(6):2107-9. doi: 10.1021/ja807330g.

7.

Intermediate states of the Kv1.2 voltage sensor from atomistic molecular dynamics simulations.

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

Proc Natl Acad Sci U S A. 2011 Apr 12;108(15):6109-14. doi: 10.1073/pnas.1102724108. Epub 2011 Mar 28.

8.

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.

9.

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.

10.

Brownian dynamics simulations of the recognition of the scorpion toxin maurotoxin with the voltage-gated potassium ion channels.

Fu W, Cui M, Briggs JM, Huang X, Xiong B, Zhang Y, Luo X, Shen J, Ji R, Jiang H, Chen K.

Biophys J. 2002 Nov;83(5):2370-85.

11.

Mechanism of voltage gating in potassium channels.

Jensen MØ, Jogini V, Borhani DW, Leffler AE, Dror RO, Shaw DE.

Science. 2012 Apr 13;336(6078):229-33. doi: 10.1126/science.1216533.

12.

Coupling of S4 helix translocation and S6 gating analyzed by molecular-dynamics simulations of mutated Kv channels.

Nishizawa M, Nishizawa K.

Biophys J. 2009 Jul 8;97(1):90-100. doi: 10.1016/j.bpj.2009.02.074.

13.

Voltage-dependent gating and gating charge measurements in the Kv1.2 potassium channel.

Ishida IG, Rangel-Yescas GE, Carrasco-Zanini J, Islas LD.

J Gen Physiol. 2015 Apr;145(4):345-58. doi: 10.1085/jgp.201411300. Epub 2015 Mar 16.

14.

Voltage-gated ion channel modulation by lipids: insights from molecular dynamics simulations.

Kasimova MA, Tarek M, Shaytan AK, Shaitan KV, Delemotte L.

Biochim Biophys Acta. 2014 May;1838(5):1322-31. doi: 10.1016/j.bbamem.2014.01.024. Epub 2014 Feb 8.

15.

Omega currents in voltage-gated ion channels: what can we learn from uncovering the voltage-sensing mechanism using MD simulations?

Tarek M, Delemotte L.

Acc Chem Res. 2013 Dec 17;46(12):2755-62. doi: 10.1021/ar300290u. Epub 2013 May 22. Review.

PMID:
23697886
16.

Conformational dynamics of the inner pore helix of voltage-gated potassium channels.

Choe S, Grabe M.

J Chem Phys. 2009 Jun 7;130(21):215103. doi: 10.1063/1.3138906.

PMID:
19508102
17.

Fast and slow voltage sensor rearrangements during activation gating in Kv1.2 channels detected using tetramethylrhodamine fluorescence.

Horne AJ, Peters CJ, Claydon TW, Fedida D.

J Gen Physiol. 2010 Jul;136(1):83-99. doi: 10.1085/jgp.201010413.

18.

Molecular dynamics investigation of the ω-current in the Kv1.2 voltage sensor domains.

Khalili-Araghi F, Tajkhorshid E, Roux B, Schulten K.

Biophys J. 2012 Jan 18;102(2):258-67. doi: 10.1016/j.bpj.2011.10.057.

19.

Atomic structure of a voltage-dependent K+ channel in a lipid membrane-like environment.

Long SB, Tao X, Campbell EB, MacKinnon R.

Nature. 2007 Nov 15;450(7168):376-82.

PMID:
18004376
20.

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