Publications

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Author Title Type [ Year(Asc)]
2014
Garret M., Boue-Grabot E., Taly A.  2014.  Long distance effect on ligand-gated ion channels extracellular domain may affect interactions with the intracellular machinery. Commun. Integr. Biol.. 7:e27984.
Beaugrand M\"ıwenn, Arnold AA, Hénin J, Warschawski DE, Williamson PTF, Marcotte I.  2014.  Lipid concentration and molar ratio boundaries for the use of isotropic bicelles.. Langmuir. 30:6162–6170.
Hirst J.D, Glowacki D.R, Baaden M..  2014.  Molecular simulations and visualization: introduction and overview. Faraday Discuss.. 169:9–22.
Oteri F, Baaden M, Lojou E, Sacquin-Mora S..  2014.  Multiscale Simulations Give Insight into the Hydrogen In and Out Pathways of [NiFe]-Hydrogenases from Aquifex aeolicus and Desulfovibrio fructosovorans. J. Phys. Chem. B. 118:13800–13811.
Sacquin-Mora S.  2014.  Motions and mechanics: investigating conformational transitions in multi-domain proteins with coarse-grain simulations. Mol. Simul.. 40:229–236.
Sterpone F., Melchionna S., Tuffery P., Pasquali S., Mousseau N., Cragnolini T., Chebaro Y., St-Pierre J.-F., Kalimeri M., Barducci A. et al..  2014.  The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems. Chem. Soc. Rev.. 43:4871–4893.
Lemoine D, Habermacher C, Martz A, Méry P-F\ccois, Bouquier N, Diverchy F, Taly A, Rassendren F\ccois, Specht A, Grutter T.  2014.  Optogating a powerful approach to control an ion-channel gate. PURINERGIC SIGNALLING. 10:762–762.
Hénin J, Salari R, Murlidaran S, Brannigan G.  2014.  A predicted binding site for cholesterol on the GABAA receptor.. Biophys. J.. 106:1938–1949.
Oteri F, Ciaccafava A, Poulpiquet A, Baaden M, Lojou E, Sacquin-Mora S..  2014.  The weak, fluctuating, dipole moment of membrane-bound hydrogenase from Aquifex aeolicus accounts for its adaptability to charged electrodes. Phys. Chem. Chem. Phys.. 16:11318–11322.
Derrar S.N, Sekkal-Rahal M., Derreumaux P., Springborg M..  2014.  Theoretical study of the NLO responses of some natural and unnatural amino acids used as probe molecules. J. Mol. Model.. 20:2388.
Brunet YR, Hénin J, Celia H, Cascales E.  2014.  Type VI secretion and bacteriophage tail tubes share a common assembly pathway.. Embo Rep.. 15:315–21.
Nguyent P, Derreumaux P.  2014.  Understanding Amyloid Fibril Nucleation and A beta Oligomer/Drug Interactions from Computer Simulations. Acc. Chem. Res.. 47:603–611.
Doutreligne S., Cragnolini T., Pasquali S., Derreumaux P., Baaden M..  2014.  UnityMol: Interactive scientific visualization for integrative biology. Large Data Analysis and Visualization (LDAV), 2014 IEEE 4th Symposium on. :109–110.
Cragnolini T, Sutherland-Cash KH, Wales D, Pasquali S, Derreumaux P.  2014.  Wide Exploration of OPEP Protein Energy Landscapes using Advanced Monte Carlo Methods. Biophys. J.. 106:256A.
2013
Chaumont S, André C, Perrais D, Boué-Grabot E, Taly A, Garret M.  2013.  Agonist-dependent endocytosis of $\gamma$-aminobutyric acid type A (GABAA) receptors revealed by a $\gamma$2 (R43Q) epilepsy mutation. J. Biol. Chem.. 288:28254–28265.
Zhu S, Stroebel D, C Yao A, Taly A, Paoletti P.  2013.  Allosteric signaling and dynamics of the clamshell-like NMDA receptor GluN1 N-terminal domain. Nature Structural \& Molecular Biology. 20:477–485.
Fogarty AC, Duboue-Dijon E, Sterpone F, Hynes JT, Laage D.  2013.  Biomolecular hydration dynamics: a jump model perspective. Chem. Soc. Rev.. 42:5672–5683.
Baaden M., Marrink S.J.  2013.  Coarse-grain modelling of protein-protein interactions. Curr. Opin. Struct. Biol.. 23:878–886.
P D.  2013.  coarse-grained models for protein folding ang aggregation. Methods Mol. Biol.. 924:585–600.
Cragnolini T, Derreumaux P, Pasquali S.  2013.  Coarse-Grained Simulations of RNA and DNA Duplexes. J. Phys. Chem. B. 117:8047–8060.
Mazur AK.  2013.  Comment on ’Length scale dependence of DNA mechanical properties’. Phys. Rev. Lett.. 111:179801.
Mazur AK.  2013.  Comment on ``Length Scale Dependence of DNA Mechanical Properties''. Phys. Rev. Lett.. 111
Nguyen PH, Okamoto Y, Derreumaux P.  2013.  Communication: Simulated tempering with fast on-the-fly weight determination. J. Chem. Phys.. 138:061102.
Nguyen PH, Derreumaux P.  2013.  Conformational Ensemble and Polymorphism of the All-Atom Alzheimer's A beta(37-42) Amyloid Peptide Oligomers. J. Phys. Chem. B. 117:5831–5840.
Bestaoui-Berrekhchi-Berrahma N, Derreumaux P, Sekkal-Rahal M, Springborg M, Sayede A, Yousfi N, Kadoun A-E-D.  2013.  Density functional conformational study of 2-O-sulfated 3,6 anhydro-alpha-D-galactose and of neo-kappa- and iota-carrabiose molecules in gas phase and water. J. Mol. Model.. 19:893–904.

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