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Items: 22


The effect of H3O+ on the membrane morphology and hydrogen bonding of a phospholipid bilayer.

Deplazes E, Poger D, Cornell B, Cranfield CG.

Biophys Rev. 2018 Sep 15. doi: 10.1007/s12551-018-0454-z. [Epub ahead of print] Review.


Characterisation of the Structure and Oligomerisation of Islet Amyloid Polypeptides (IAPP): A Review of Molecular Dynamics Simulation Studies.

Moore SJ, Sonar K, Bharadwaj P, Deplazes E, Mancera RL.

Molecules. 2018 Aug 25;23(9). pii: E2142. doi: 10.3390/molecules23092142. Review.


The Biological and Biophysical Properties of the Spider Peptide Gomesin.

Tanner JD, Deplazes E, Mancera RL.

Molecules. 2018 Jul 16;23(7). pii: E1733. doi: 10.3390/molecules23071733. Review.


Gomesin peptides prevent proliferation and lead to the cell death of devil facial tumour disease cells.

Fernandez-Rojo MA, Deplazes E, Pineda SS, Brust A, Marth T, Wilhelm P, Martel N, Ramm GA, Mancera RL, Alewood PF, Woods GM, Belov K, Miles JJ, King GF, Ikonomopoulou MP.

Cell Death Discov. 2018 Feb 14;4:19. doi: 10.1038/s41420-018-0030-0. eCollection 2018 Dec.


The effect of hydronium ions on the structure of phospholipid membranes.

Deplazes E, Poger D, Cornell B, Cranfield CG.

Phys Chem Chem Phys. 2017 Dec 20;20(1):357-366. doi: 10.1039/c7cp06776c.


Corrigendum to "Spider peptide toxin HwTx-IV engineered to bind to lipid membranes has an increased inhibitory potency at human voltage-gated sodium channel hNaV1.7" [Biochim. Biophys. Acta 1859(5) (2017) 835-844].

Agwa AJ, Lawrence N, Deplazes E, Cheneval O, Chen RM, Craik DJ, Schroeder CI, Henriques ST.

Biochim Biophys Acta Biomembr. 2017 Nov;1859(11):2277. doi: 10.1016/j.bbamem.2017.08.008. Epub 2017 Aug 25. No abstract available.


A potential new, stable state of the E-cadherin strand-swapped dimer in solution.

Schumann-Gillett A, Mark AE, Deplazes E, O'Mara ML.

Eur Biophys J. 2018 Jan;47(1):59-67. doi: 10.1007/s00249-017-1229-3. Epub 2017 Jun 15.


Molecular Simulations of Disulfide-Rich Venom Peptides with Ion Channels and Membranes.

Deplazes E.

Molecules. 2017 Feb 27;22(3). pii: E362. doi: 10.3390/molecules22030362. Review.


Spider peptide toxin HwTx-IV engineered to bind to lipid membranes has an increased inhibitory potency at human voltage-gated sodium channel hNaV1.7.

Agwa AJ, Lawrence N, Deplazes E, Cheneval O, Chen RM, Craik DJ, Schroeder CI, Henriques ST.

Biochim Biophys Acta Biomembr. 2017 May;1859(5):835-844. doi: 10.1016/j.bbamem.2017.01.020. Epub 2017 Jan 20. Erratum in: Biochim Biophys Acta. 2017 Nov;1859(11):2277.


Interaction of Tarantula Venom Peptide ProTx-II with Lipid Membranes Is a Prerequisite for Its Inhibition of Human Voltage-gated Sodium Channel NaV1.7.

Henriques ST, Deplazes E, Lawrence N, Cheneval O, Chaousis S, Inserra M, Thongyoo P, King GF, Mark AE, Vetter I, Craik DJ, Schroeder CI.

J Biol Chem. 2016 Aug 12;291(33):17049-65. doi: 10.1074/jbc.M116.729095. Epub 2016 Jun 16.


Membrane-binding properties of gating modifier and pore-blocking toxins: Membrane interaction is not a prerequisite for modification of channel gating.

Deplazes E, Henriques ST, Smith JJ, King GF, Craik DJ, Mark AE, Schroeder CI.

Biochim Biophys Acta. 2016 Apr;1858(4):872-82. doi: 10.1016/j.bbamem.2016.02.002. Epub 2016 Feb 2.


Combination of Ambiguous and Unambiguous Data in the Restraint-driven Docking of Flexible Peptides with HADDOCK: The Binding of the Spider Toxin PcTx1 to the Acid Sensing Ion Channel (ASIC) 1a.

Deplazes E, Davies J, Bonvin AM, King GF, Mark AE.

J Chem Inf Model. 2016 Jan 25;56(1):127-38. doi: 10.1021/acs.jcim.5b00529. Epub 2015 Dec 24.


Comparing the Ability of Enhanced Sampling Molecular Dynamics Methods To Reproduce the Behavior of Fluorescent Labels on Proteins.

Walczewska-Szewc K, Deplazes E, Corry B.

J Chem Theory Comput. 2015 Jul 14;11(7):3455-65. doi: 10.1021/acs.jctc.5b00205.


Characterizing the conformational dynamics of metal-free PsaA using molecular dynamics simulations and electron paramagnetic resonance spectroscopy.

Deplazes E, Begg SL, van Wonderen JH, Campbell R, Kobe B, Paton JC, MacMillan F, McDevitt CA, O'Mara ML.

Biophys Chem. 2015 Dec;207:51-60. doi: 10.1016/j.bpc.2015.08.004. Epub 2015 Sep 3.


Widespread convergence in toxin resistance by predictable molecular evolution.

Ujvari B, Casewell NR, Sunagar K, Arbuckle K, W├╝ster W, Lo N, O'Meally D, Beckmann C, King GF, Deplazes E, Madsen T.

Proc Natl Acad Sci U S A. 2015 Sep 22;112(38):11911-6. doi: 10.1073/pnas.1511706112. Epub 2015 Sep 8.


Molecular dynamics and functional studies define a hot spot of crystal contacts essential for PcTx1 inhibition of acid-sensing ion channel 1a.

Saez NJ, Deplazes E, Cristofori-Armstrong B, Chassagnon IR, Lin X, Mobli M, Mark AE, Rash LD, King GF.

Br J Pharmacol. 2015 Oct;172(20):4985-95. doi: 10.1111/bph.13267. Epub 2015 Sep 22.


Bacterial mechanosensitive channels: models for studying mechanosensory transduction.

Martinac B, Nomura T, Chi G, Petrov E, Rohde PR, Battle AR, Foo A, Constantine M, Rothnagel R, Carne S, Deplazes E, Cornell B, Cranfield CG, Hankamer B, Landsberg MJ.

Antioxid Redox Signal. 2014 Feb 20;20(6):952-69. doi: 10.1089/ars.2013.5471. Epub 2013 Aug 15. Review.


Structural investigation of MscL gating using experimental data and coarse grained MD simulations.

Deplazes E, Louhivuori M, Jayatilaka D, Marrink SJ, Corry B.

PLoS Comput Biol. 2012;8(9):e1002683. doi: 10.1371/journal.pcbi.1002683. Epub 2012 Sep 20.


Differential effects of lipids and lyso-lipids on the mechanosensitivity of the mechanosensitive channels MscL and MscS.

Nomura T, Cranfield CG, Deplazes E, Owen DM, Macmillan A, Battle AR, Constantine M, Sokabe M, Martinac B.

Proc Natl Acad Sci U S A. 2012 May 29;109(22):8770-5. doi: 10.1073/pnas.1200051109. Epub 2012 May 14.


ExiFRET: flexible tool for understanding FRET in complex geometries.

Deplazes E, Jayatilaka D, Corry B.

J Biomed Opt. 2012 Jan;17(1):011005. doi: 10.1117/1.JBO.17.1.011005.


Testing the use of molecular dynamics to simulate fluorophore motions and FRET.

Deplazes E, Jayatilaka D, Corry B.

Phys Chem Chem Phys. 2011 Jun 21;13(23):11045-54. doi: 10.1039/c1cp20447e. Epub 2011 May 9.


Resolutions of the Coulomb operator.

Varganov SA, Gilbert AT, Deplazes E, Gill PM.

J Chem Phys. 2008 May 28;128(20):201104. doi: 10.1063/1.2939239.


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