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Items: 34


Determining the molecular basis of voltage sensitivity in membrane proteins.

Kasimova MA, Lindahl E, Delemotte L.

J Gen Physiol. 2018 Oct 1;150(10):1444-1458. doi: 10.1085/jgp.201812086. Epub 2018 Aug 27.


Opening leads to closing: Allosteric crosstalk between the activation and inactivation gates in KcsA.

Delemotte L.

J Gen Physiol. 2018 Oct 1;150(10):1356-1359. doi: 10.1085/jgp.201812161. Epub 2018 Aug 24. No abstract available.


Effect of Ca2+ on the promiscuous target-protein binding of calmodulin.

Westerlund AM, Delemotte L.

PLoS Comput Biol. 2018 Apr 3;14(4):e1006072. doi: 10.1371/journal.pcbi.1006072. eCollection 2018 Apr.


Gating interaction maps reveal a noncanonical electromechanical coupling mode in the Shaker K+ channel.

Fernández-Mariño AI, Harpole TJ, Oelstrom K, Delemotte L, Chanda B.

Nat Struct Mol Biol. 2018 Apr;25(4):320-326. doi: 10.1038/s41594-018-0047-3. Epub 2018 Mar 26.


Exploring the Viral Channel KcvPBCV-1 Function via Computation.

Andersson AEV, Kasimova MA, Delemotte L.

J Membr Biol. 2018 Jun;251(3):419-430. doi: 10.1007/s00232-018-0022-2. Epub 2018 Feb 23.


Permeating disciplines: Overcoming barriers between molecular simulations and classical structure-function approaches in biological ion transport.

Howard RJ, Carnevale V, Delemotte L, Hellmich UA, Rothberg BS.

Biochim Biophys Acta Biomembr. 2018 Apr;1860(4):927-942. doi: 10.1016/j.bbamem.2017.12.013. Epub 2017 Dec 16. Review.


Inference of Calmodulin's Ca2+-Dependent Free Energy Landscapes via Gaussian Mixture Model Validation.

Westerlund AM, Harpole TJ, Blau C, Delemotte L.

J Chem Theory Comput. 2018 Jan 9;14(1):63-71. doi: 10.1021/acs.jctc.7b00346. Epub 2017 Dec 6.


Conformational landscapes of membrane proteins delineated by enhanced sampling molecular dynamics simulations.

Harpole TJ, Delemotte L.

Biochim Biophys Acta Biomembr. 2018 Apr;1860(4):909-926. doi: 10.1016/j.bbamem.2017.10.033. Epub 2017 Nov 4. Review.


Studying Kv Channels Function using Computational Methods.

Deyawe A, Kasimova MA, Delemotte L, Loussouarn G, Tarek M.

Methods Mol Biol. 2018;1684:321-341. doi: 10.1007/978-1-4939-7362-0_24.


Gating Pore Currents in Sodium Channels.

Groome JR, Moreau A, Delemotte L.

Handb Exp Pharmacol. 2018;246:371-399. doi: 10.1007/164_2017_54. Review.


Molecular simulations and free-energy calculations suggest conformation-dependent anion binding to a cytoplasmic site as a mechanism for Na+/K+-ATPase ion selectivity.

Razavi AM, Delemotte L, Berlin JR, Carnevale V, Voelz VA.

J Biol Chem. 2017 Jul 28;292(30):12412-12423. doi: 10.1074/jbc.M117.779090. Epub 2017 Jun 6.


On the role of water density fluctuations in the inhibition of a proton channel.

Gianti E, Delemotte L, Klein ML, Carnevale V.

Proc Natl Acad Sci U S A. 2016 Dec 27;113(52):E8359-E8368. doi: 10.1073/pnas.1609964114. Epub 2016 Dec 12.


Does Proton Conduction in the Voltage-Gated H+ Channel hHv1 Involve Grotthuss-Like Hopping via Acidic Residues?

van Keulen SC, Gianti E, Carnevale V, Klein ML, Rothlisberger U, Delemotte L.

J Phys Chem B. 2017 Apr 20;121(15):3340-3351. doi: 10.1021/acs.jpcb.6b08339. Epub 2016 Nov 18.


Understanding TRPV1 activation by ligands: Insights from the binding modes of capsaicin and resiniferatoxin.

Elokely K, Velisetty P, Delemotte L, Palovcak E, Klein ML, Rohacs T, Carnevale V.

Proc Natl Acad Sci U S A. 2016 Jan 12;113(2):E137-45. doi: 10.1073/pnas.1517288113. Epub 2015 Dec 30.


Canine CNGA3 Gene Mutations Provide Novel Insights into Human Achromatopsia-Associated Channelopathies and Treatment.

Tanaka N, Dutrow EV, Miyadera K, Delemotte L, MacDermaid CM, Reinstein SL, Crumley WR, Dixon CJ, Casal ML, Klein ML, Aguirre GD, Tanaka JC, Guziewicz KE.

PLoS One. 2015 Sep 25;10(9):e0138943. doi: 10.1371/journal.pone.0138943. eCollection 2015.


Characterization of the honeybee AmNaV1 channel and tools to assess the toxicity of insecticides.

Gosselin-Badaroudine P, Moreau A, Delemotte L, Cens T, Collet C, Rousset M, Charnet P, Klein ML, Chahine M.

Sci Rep. 2015 Jul 23;5:12475. doi: 10.1038/srep12475.


Comparative sequence analysis suggests a conserved gating mechanism for TRP channels.

Palovcak E, Delemotte L, Klein ML, Carnevale V.

J Gen Physiol. 2015 Jul;146(1):37-50. doi: 10.1085/jgp.201411329. Epub 2015 Jun 15.


Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory.

Cournia Z, Allen TW, Andricioaei I, Antonny B, Baum D, Brannigan G, Buchete NV, Deckman JT, Delemotte L, Del Val C, Friedman R, Gkeka P, Hege HC, Hénin J, Kasimova MA, Kolocouris A, Klein ML, Khalid S, Lemieux MJ, Lindow N, Roy M, Selent J, Tarek M, Tofoleanu F, Vanni S, Urban S, Wales DJ, Smith JC, Bondar AN.

J Membr Biol. 2015 Aug;248(4):611-40. doi: 10.1007/s00232-015-9802-0. Epub 2015 Jun 11. Review.


Gating pore currents are defects in common with two Nav1.5 mutations in patients with mixed arrhythmias and dilated cardiomyopathy.

Moreau A, Gosselin-Badaroudine P, Delemotte L, Klein ML, Chahine M.

J Gen Physiol. 2015 Feb;145(2):93-106. doi: 10.1085/jgp.201411304.


Free-energy landscape of ion-channel voltage-sensor-domain activation.

Delemotte L, Kasimova MA, Klein ML, Tarek M, Carnevale V.

Proc Natl Acad Sci U S A. 2015 Jan 6;112(1):124-9. doi: 10.1073/pnas.1416959112. Epub 2014 Dec 22.


A cyclic nucleotide-gated channel mutation associated with canine daylight blindness provides insight into a role for the S2 segment tri-Asp motif in channel biogenesis.

Tanaka N, Delemotte L, Klein ML, Komáromy AM, Tanaka JC.

PLoS One. 2014 Feb 21;9(2):e88768. doi: 10.1371/journal.pone.0088768. eCollection 2014.


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.


Evolutionary imprint of activation: the design principles of VSDs.

Palovcak E, Delemotte L, Klein ML, Carnevale V.

J Gen Physiol. 2014 Feb;143(2):145-56. doi: 10.1085/jgp.201311103.


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.


Conduction in a biological sodium selective channel.

Stock L, Delemotte L, Carnevale V, Treptow W, Klein ML.

J Phys Chem B. 2013 Apr 11;117(14):3782-9. doi: 10.1021/jp401403b. Epub 2013 Mar 27.


Gating pore currents and the resting state of Nav1.4 voltage sensor domains.

Gosselin-Badaroudine P, Delemotte L, Moreau A, Klein ML, Chahine M.

Proc Natl Acad Sci U S A. 2012 Nov 20;109(47):19250-5. doi: 10.1073/pnas.1217990109. Epub 2012 Nov 7.


Dual effect of phosphatidylinositol (4,5)-bisphosphate PIP(2) on Shaker K(+) [corrected] channels.

Abderemane-Ali F, Es-Salah-Lamoureux Z, Delemotte L, Kasimova MA, Labro AJ, Snyders DJ, Fedida D, Tarek M, Baró I, Loussouarn G.

J Biol Chem. 2012 Oct 19;287(43):36158-67. doi: 10.1074/jbc.M112.382085. Epub 2012 Aug 29. Erratum in: J Biol Chem. 2013 Apr 12;288(15):10951.


Molecular-level characterization of lipid membrane electroporation using linearly rising current.

Kramar P, Delemotte L, Maček Lebar A, Kotulska M, Tarek M, Miklavčič D.

J Membr Biol. 2012 Oct;245(10):651-9. doi: 10.1007/s00232-012-9487-6. Epub 2012 Aug 11.


Transport of siRNA through lipid membranes driven by nanosecond electric pulses: an experimental and computational study.

Breton M, Delemotte L, Silve A, Mir LM, Tarek M.

J Am Chem Soc. 2012 Aug 29;134(34):13938-41. doi: 10.1021/ja3052365. Epub 2012 Aug 16.


Molecular dynamics simulations of voltage-gated cation channels: insights on voltage-sensor domain function and modulation.

Delemotte L, Klein ML, Tarek M.

Front Pharmacol. 2012 May 25;3:97. doi: 10.3389/fphar.2012.00097. eCollection 2012.


Molecular dynamics simulations of lipid membrane electroporation.

Delemotte L, Tarek M.

J Membr Biol. 2012 Sep;245(9):531-43. doi: 10.1007/s00232-012-9434-6. Epub 2012 May 30.


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.


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.


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.


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