Publications

Export 809 results:
Author Title Type [ Year(Desc)]
2013
Baaden M, Delarue M..  2013.  Structural basis for ion permeation in a pentameric ligand-gated ion channel revealed by x-ray crystallograph.
Cazals F., Mueller C., Robert C., Roth A..  2013.  Towards Morse theory for point cloud data.. Inria Tech Reports.
Costa D., Garrain P.A, Baaden M.  2013.  Understanding small biomolecule-biomaterial interactions: a review of fundamental theoretical and experimental approaches for biomolecule interactions with inorganic surfaces. J. Biomed. Mater. Res. A. 101:1210–1222.
Fiorin G, Klein ML, Hénin J.  2013.  Using collective variables to drive molecular dynamics simulations. Mol. Phys.. 111:3345–3362.
Mondal J, Stirnemann G, Berne BJ.  2013.  When Does Trimethylamine N-Oxide Fold a Polymer Chain and Urea Unfold It? J. Phys. Chem. B. 117:8723–8732.
2014
Taly A, Hénin J, Changeux J-P, Cecchini M.  2014.  Allosteric regulation of pentameric ligand-gated ion channels: An emerging mechanistic perspective. Channels. 8:350–360.
Nguyen PHoang, Li MSuan, Derreumaux P.  2014.  Amyloid oligomer structure characterization from simulations: A general method. J. Chem. Phys.. 140:094105.
Chintapalli SV, Illingworth CJR, Upton GJG, Sacquin-Mora S, Reeves PJ, Mohammedali HS, Reynolds CA.  2014.  Assessing the effect of dynamics on the closed-loop protein-folding hypothesis. Journal of the Royal Society Interface. 11:20130935.
Zhang T, Xu W, Mu Y, Derreumaux P.  2014.  Atomic and Dynamic Insights into the Beneficial Effect of the 1,4-Naphthoquinon-2-yl-L-tryptophan Inhibitor on Alzheimer's A beta 1-42 Dimer in Terms of Aggregation and Toxicity. Acs Chem. Neurosci.. 5:148–159.
Mazur AK, Maaloum M.  2014.  Atomic force microscopy study of DNA flexibility on short length scales: Smooth bending versus kinking. Nucleic. Acids. Res.. 42:14006–14012.
[Anonymous].  2014.  BIOIMAGING 2014 - Proceedings of the International Conference on Bioimaging, ESEO, Angers, Loire Valley, France, 3-6 March, 2014.
Lee S, Tran A, Allsopp M, Lim JB, Hénin J, Klauda JB.  2014.  CHARMM36 united atom chain model for lipids and surfactants.. J. Phys. Chem. B. 118:547–556.
Cragnolini T, Laurin Y, Derreumaux P, Pasquali S.  2014.  Coarse-Grain RNA Folding: Towards More Complex Structures. Biophys. J.. 106:283A.
Trellet M., Férey N, Baaden M, Bourdot P..  2014.  Content-guided Navigation in Multimeric Molecular Complexes. {BIOIMAGING} 2014 - Proceedings of the International Conference on Bioimaging, ESEO, Angers, Loire Valley, France, 3-6 March, 2014. :76–81.
Wang M., Baaden M, Wang J., Liang Z..  2014.  A cooperative mechanism of clotrimazoles in P450 revealed by the dissociation picture of clotrimazole from P450. J. Chem. Inf. Model.. 54:1218–1225.
Mazur AK, Maaloum M.  2014.  DNA flexibility on short length scales probed by atomic force microscopy. Phys. Rev. Lett.. 112:068104.
Dreher M, Prevoteau-Jonquet J, Trellet M, Piuzzi M, Baaden M, Raffin B, Férey N, Robert S, Limet S..  2014.  ExaViz: a flexible framework to analyse, steer and interact with molecular dynamics simulations. Faraday Discuss.. 169:119–142.
Viet MHoang, Nguyen PHoang, Derreumaux P, Li MSuan.  2014.  Effect of the English Familial Disease Mutation (H6R) on the Monomers and Dimers of A beta 40 and A beta 42. Acs Chem. Neurosci.. 5:646–657.
Nguyen PHoang, Tarus B, Derreumaux P.  2014.  Familial Alzheimer A2 V Mutation Reduces the Intrinsic Disorder and Completely Changes the Free Energy Landscape of the A beta 1-28 Monomer. J. Phys. Chem. B. 118:501–510.
Hénin J, Baaden M, Taly A.  2014.  Foundations of Biomolecular Simulations: A Critical Introduction to Homology Modeling, Molecular Dynamics Simulations, and Free Energy Calculations of Membrane Proteins. Membrane Proteins Production for Structural Analysis. :347–392.
Stirnemann G, Kang S-gu, Zhou R, Berne BJ.  2014.  How force unfolding differs from chemical denaturation.. Proc. Natl. Acad. Sci. U.s.a. 111:3413–8.
Molza A.E, Férey N, Czjzek M, Le Rumeur E, Hubert J.F, Tek A, Laurent B, Baaden M, Delalande O..  2014.  Innovative interactive flexible docking method for multi-scale reconstruction elucidates dystrophin molecular assembly. Faraday Discuss.. 169:45–62.
Shen Y, Maupetit J, Derreumaux P, Tuffery P.  2014.  Improved PEP-FOLD Approach for Peptide and Miniprotein Structure Prediction. J. Chem. Theory Comput.. 10:4745–4758.
Cazals F, Dreyfus T., Mazauric D., Roth A., Robert CH.  2014.  INRIA Tech Report: Conformational ensembles and sampled landscapes: analysis and comparison..
Kalimeri M, Girard E, Madern D, Sterpone F.  2014.  Interface Matters: The Stiffness Route to Stability of a Thermophilic Tetrameric Malate Dehydrogenase. Plos One. 9:e113895.

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