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Items: 23


DaReUS-Loop: a web server to model multiple loops in homology models.

Karami Y, Rey J, Postic G, Murail S, Tufféry P, de Vries SJ.

Nucleic Acids Res. 2019 Jul 2;47(W1):W423-W428. doi: 10.1093/nar/gkz403.


Biomimetic water channels: general discussion.

Baaden M, Barboiu M, Bill RM, Chen CL, Davis J, Di Vincenzo M, Freger V, Fröba M, Gale PA, Gong B, Hélix-Nielsen C, Hickey R, Hinds B, Hou JL, Hummer G, Kumar M, Legrand YM, Lokesh M, Mi B, Murail S, Pohl P, Sansom M, Song Q, Song W, Törnroth-Horsefield S, Vashisth H, Vögele M.

Faraday Discuss. 2018 Sep 28;209(0):205-229. doi: 10.1039/c8fd90020e. No abstract available.


The modelling and enhancement of water hydrodynamics: general discussion.

Baaden M, Borthakur MP, Casanova S, Coalson R, Freger V, Gonzalez M, Góra A, Hinds B, Hirunpinyopas W, Hummer G, Kumar M, Lynch C, Murail S, Noy A, Sansom M, Song Q, Vashisth H, Vögele M.

Faraday Discuss. 2018 Sep 28;209(0):273-285. doi: 10.1039/c8fd90021c. No abstract available.


Applications to water transport systems: general discussion.

Baaden M, Barboiu M, Borthakur MP, Chen CL, Coalson R, Davis J, Freger V, Gong B, Hélix-Nielsen C, Hickey R, Hinds B, Hirunpinyopas W, Horner A, Hou JL, Hummer G, Iamprasertkun P, Kazushi K, Kumar M, Legrand YM, Lokesh M, Mi B, Mitra S, Murail S, Noy A, Nunes S, Pohl P, Song Q, Song W, Tornroth-Horsefield S, Vashisth H.

Faraday Discuss. 2018 Sep 28;209(0):389-414. doi: 10.1039/c8fd90022a. No abstract available.


Water permeation across artificial I-quartet membrane channels: from structure to disorder.

Murail S, Vasiliu T, Neamtu A, Barboiu M, Sterpone F, Baaden M.

Faraday Discuss. 2018 Sep 28;209(0):125-148. doi: 10.1039/c8fd00046h.


Oriented chiral water wires in artificial transmembrane channels.

Kocsis I, Sorci M, Vanselous H, Murail S, Sanders SE, Licsandru E, Legrand YM, van der Lee A, Baaden M, Petersen PB, Belfort G, Barboiu M.

Sci Adv. 2018 Mar 23;4(3):eaao5603. doi: 10.1126/sciadv.aao5603. eCollection 2018 Mar.


Simulation of Ligand Binding to Membrane Proteins.

Murail S.

Methods Mol Biol. 2017;1635:359-381. doi: 10.1007/978-1-4939-7151-0_20.


String method solution of the gating pathways for a pentameric ligand-gated ion channel.

Lev B, Murail S, Poitevin F, Cromer BA, Baaden M, Delarue M, Allen TW.

Proc Natl Acad Sci U S A. 2017 May 23;114(21):E4158-E4167. doi: 10.1073/pnas.1617567114. Epub 2017 May 9.


Salt-Excluding Artificial Water Channels Exhibiting Enhanced Dipolar Water and Proton Translocation.

Licsandru E, Kocsis I, Shen YX, Murail S, Legrand YM, van der Lee A, Tsai D, Baaden M, Kumar M, Barboiu M.

J Am Chem Soc. 2016 Apr 27;138(16):5403-9. doi: 10.1021/jacs.6b01811. Epub 2016 Apr 18.


Sites of Anesthetic Inhibitory Action on a Cationic Ligand-Gated Ion Channel.

Laurent B, Murail S, Shahsavar A, Sauguet L, Delarue M, Baaden M.

Structure. 2016 Apr 5;24(4):595-605. doi: 10.1016/j.str.2016.02.014. Epub 2016 Mar 24.


Allosteric and hyperekplexic mutant phenotypes investigated on an α1 glycine receptor transmembrane structure.

Moraga-Cid G, Sauguet L, Huon C, Malherbe L, Girard-Blanc C, Petres S, Murail S, Taly A, Baaden M, Delarue M, Corringer PJ.

Proc Natl Acad Sci U S A. 2015 Mar 3;112(9):2865-70. doi: 10.1073/pnas.1417864112. Epub 2015 Feb 17.


Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels.

Sauguet L, Poitevin F, Murail S, Van Renterghem C, Moraga-Cid G, Malherbe L, Thompson AW, Koehl P, Corringer PJ, Baaden M, Delarue M.

EMBO J. 2013 Mar 6;32(5):728-41. doi: 10.1038/emboj.2013.17. Epub 2013 Feb 12.


Molecular mechanism for the dual alcohol modulation of Cys-loop receptors.

Murail S, Howard RJ, Broemstrup T, Bertaccini EJ, Harris RA, Trudell JR, Lindahl E.

PLoS Comput Biol. 2012;8(10):e1002710. doi: 10.1371/journal.pcbi.1002710. Epub 2012 Oct 4.


Spatial proximity between the VPAC1 receptor and the amino terminus of agonist and antagonist peptides reveals distinct sites of interaction.

Ceraudo E, Hierso R, Tan YV, Murail S, Rouyer-Fessard C, Nicole P, Robert JC, Jamin N, Neumann JM, Robberecht P, Laburthe M, Couvineau A.

FASEB J. 2012 May;26(5):2060-71. doi: 10.1096/fj.11-196444. Epub 2012 Jan 30.


Structural basis for alcohol modulation of a pentameric ligand-gated ion channel.

Howard RJ, Murail S, Ondricek KE, Corringer PJ, Lindahl E, Trudell JR, Harris RA.

Proc Natl Acad Sci U S A. 2011 Jul 19;108(29):12149-54. doi: 10.1073/pnas.1104480108. Epub 2011 Jul 5.


Microsecond simulations indicate that ethanol binds between subunits and could stabilize an open-state model of a glycine receptor.

Murail S, Wallner B, Trudell JR, Bertaccini E, Lindahl E.

Biophys J. 2011 Apr 6;100(7):1642-50. doi: 10.1016/j.bpj.2011.02.032.


Class-B GPCR activation: is ligand helix-capping the key?

Neumann JM, Couvineau A, Murail S, Lacapère JJ, Jamin N, Laburthe M.

Trends Biochem Sci. 2008 Jul;33(7):314-9. doi: 10.1016/j.tibs.2008.05.001. Epub 2008 Jun 12.


Secondary and tertiary structures of the transmembrane domains of the translocator protein TSPO determined by NMR. Stabilization of the TSPO tertiary fold upon ligand binding.

Murail S, Robert JC, Coïc YM, Neumann JM, Ostuni MA, Yao ZX, Papadopoulos V, Jamin N, Lacapère JJ.

Biochim Biophys Acta. 2008 Jun;1778(6):1375-81. doi: 10.1016/j.bbamem.2008.03.012. Epub 2008 Mar 27.


The human VPAC1 receptor: identification of the N-terminal ectodomain as a major VIP-binding site by photoaffinity labeling and 3D modeling.

Couvineau A, Tan YV, Ceraudo E, Lacapère JJ, Murail S, Neumann JM, Laburthe M.

Ann N Y Acad Sci. 2006 Jul;1070:205-9.


Peptide agonist docking in the N-terminal ectodomain of a class II G protein-coupled receptor, the VPAC1 receptor. Photoaffinity, NMR, and molecular modeling.

Tan YV, Couvineau A, Murail S, Ceraudo E, Neumann JM, Lacapère JJ, Laburthe M.

J Biol Chem. 2006 May 5;281(18):12792-8. Epub 2006 Mar 6.


Characterization of the cholesterol recognition amino acid consensus sequence of the peripheral-type benzodiazepine receptor.

Jamin N, Neumann JM, Ostuni MA, Vu TK, Yao ZX, Murail S, Robert JC, Giatzakis C, Papadopoulos V, Lacapère JJ.

Mol Endocrinol. 2005 Mar;19(3):588-94. Epub 2004 Nov 4.


Disentangling ligand migration and heme pocket relaxation in cytochrome P450cam.

Tetreau C, Mouawad L, Murail S, Duchambon P, Blouquit Y, Lavalette D.

Biophys J. 2005 Feb;88(2):1250-63. Epub 2004 Oct 15.

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