Publications
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2013. Interactive Molecular Dynamics: Scaling up to Large Systems.. Procedia Comput. Sci.. 18:20–29.
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2013. Moving through the gate in ATP-activated P2X receptors. Trends Biochem. Sci.. 38:20–29.
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2013. MANHaptic: A Haptic Adaptive Method for Precise Manipulation, Assembly \and Navigation. International Journal on Human Machine Interaction. 1:60–67.
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2013. Mechanisms of acceleration and retardation of water dynamics by ions. J. Am. Chem. Soc.. 135:11824–11831.
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2013. Modeling macromolecular complexes: a journey across scales. Modeling in Computational Biology and Biomedicine: A Multidisciplinary Endeavor.
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2013. Molecular Mechanism of the Inhibition of EGCG on the Alzheimer A beta(1-42) Dimer. J. Phys. Chem. B. 117:3993–4002.
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2013. Moving through the gate in ATP-activated P2X receptors. Trends Biochem. Sci.. 38:20–29.
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2013. A mutation causes MuSK reduced sensitivity to agrin and congenital myasthenia. Plos One. 8
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2013. Navigation guidée par le contenu pour l'exploration moléculaire.. Actes de l'AFRV.
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2013. Novel approaches to drug design for the treatment of schizophrenia. Expert Opin. Drug Discovery. 8:1285–1296.
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2013. Optical control of an ion channel gate. Proc. Natl. Acad. Sci. U.s.a.. 110:20813–20818.
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2013. On the origin of thermal untwisting of DNA. J. Phys. Chem. B. 117:1857–1861.
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2013. Protein-protein interactions in a crowded environment: an analysis via cross-docking simulations and evolutionary information. Plos Comput. Biol.. 9:e1003369.
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2013. Reassessing buried surface areas in protein-protein complexes.. Protein Sci.. 22:1453–57.
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2013. Replica-exchange molecular dynamics simulations of the amyloid-beta(16-22) fragments. European Biophysics Journal with Biophysics Letters. 42:S68.
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2013. Structural basis for ion permeation mechanism in pentameric ligand-gated ion channels. Embo J.. 32:728–741.
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2013. Towards Morse theory for point cloud data.. Inria Tech Reports.
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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.
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2013. Using collective variables to drive molecular dynamics simulations. Mol. Phys.. 111:3345–3362.
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2013. When Does Trimethylamine N-Oxide Fold a Polymer Chain and Urea Unfold It? J. Phys. Chem. B. 117:8723–8732.
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2012. $\alpha$7 nicotinic acetylcholine receptors: a therapeutic target in the structure era. Curr. Drug Targets. 13:695–706.
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2012. ATTRACT and PTOOLS: Open source programs for protein-protein docking. Methods Mol. Biol.. 819:221–232.