Publications

Export 673 results:
Author Title Type [ Year(Asc)]
2013
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.
Rahaman O., Melchionna S., Laage D., Sterpone F..  2013.  The effect of protein composition on hydration dynamics. Phys. Chem. Chem. Phys.. 15:3570–3576.
Viet MHoang, Nguyen PH, Ngo STung, Li MSuan, Derreumaux P.  2013.  Effect of the Tottori Familial Disease Mutation (D7N) on the Monomers and Dimers of A beta(40) and A beta(42). Acs Chem. Neurosci.. 4:1446–1457.
Stirnemann G, Giganti D, Fernandez JM, Berne BJ.  2013.  Elasticity, structure, and relaxation of extended proteins under force.. Proc. Natl. Acad. Sci. U.s.a. 110:3847–52.
Parton D.L, Tek A., Baaden M., Sansom M.S.  2013.  Formation of raft-like assemblies within clusters of influenza hemagglutinin observed by MD simulations. Plos Comput. Biol.. 9:e1003034.
Lv Z., Tek A., Da Silva F., Empereur-mot C., Chavent M., Baaden M..  2013.  Game on, science - how video game technology may help biologists tackle visualization challenges. Plos One. 8:e57990.
Calimet N., Simoes M., Changeux J.P, Karplus M., Taly A., Cecchini M..  2013.  A gating mechanism of pentameric ligand-gated ion channels. Proc. Natl. Acad. Sci. U.s.a.. 110:E3987–3996.
Bocahut A., Derrien V., Bernad S., Sebban P., Sacquin-Mora S., Guittet E., Lescop E..  2013.  Heme orientation modulates histidine dissociation and ligand binding kinetics in the hexacoordinated human neuroglobin. J. Biol. Inorg. Chem.. 18:111–122.
Kalimeri M, Rahaman O, Melchionna S, Sterpone F.  2013.  How Conformational Flexibility Stabilizes the Hyperthermophilic Elongation Factor G-Domain. J. Phys. Chem. B. 117:13775–13785.
Sterpone F, Nguyen PH, Kalimeri M, Derreumaux P.  2013.  Importance of the Ion-Pair Interactions in the OPEP Coarse-Grained Force Field: Parametrization and Validation. J. Chem. Theory Comput.. 9:4574–4584.
Kalimeri M, Melchionna S, Sterpone F.  2013.  Inquiring Protein Thermostability: Is Resistance to Temperature Stress a Rigidity/Flexibility Trade-off? Proceedings of the European Conference on Complex Systems 2012.
Dreher M., Piuzzi M., Turki A., Chavent M., Baaden M., Férey N., Limet S., Raffin B., Robert S..  2013.  Interactive Molecular Dynamics: Scaling up to Large Systems.. Procedia Comput. Sci.. 18:20–29.
Jiang R., Taly A., Grutter T..  2013.  Moving through the gate in ATP-activated P2X receptors. Trends Biochem. Sci.. 38:20–29.
Tek A., Baaden M., Férey N., Bourdot P..  2013.  MANHaptic: A Haptic Adaptive Method for Precise Manipulation, Assembly \and Navigation. International Journal on Human Machine Interaction. 1:60–67.
Stirnemann G, Wernersson E, Jungwirth P, Laage D.  2013.  Mechanisms of acceleration and retardation of water dynamics by ions. J. Am. Chem. Soc.. 135:11824–11831.
Cazals F, Dreyfus T, Robert CH.  2013.  Modeling macromolecular complexes: a journey across scales. Modeling in Computational Biology and Biomedicine: A Multidisciplinary Endeavor.
Zhang T, Zhang J, Derreumaux P, Mu Y.  2013.  Molecular Mechanism of the Inhibition of EGCG on the Alzheimer A beta(1-42) Dimer. J. Phys. Chem. B. 117:3993–4002.
Jiang R, Taly A, Grutter T.  2013.  Moving through the gate in ATP-activated P2X receptors. Trends Biochem. Sci.. 38:20–29.
Ben Ammar A, Soltanzadeh P, Bauché S, Richard P, Goillot E, Herbst R, Gaudon K, Huzé C, Schaeffer L, Yamanashi Y et al..  2013.  A mutation causes MuSK reduced sensitivity to agrin and congenital myasthenia. Plos One. 8
Trellet M., Férey N., Baaden M., Bourdot P..  2013.  Navigation guidée par le contenu pour l'exploration moléculaire.. Actes de l'AFRV.
Taly A.  2013.  Novel approaches to drug design for the treatment of schizophrenia. Expert Opin. Drug Discovery. 8:1285–1296.
Lemoine D., Habermacher C., Martz A., Mery P.F, Bouquier N., Diverchy F., Taly A., Rassendren F., Specht A., Grutter T..  2013.  Optical control of an ion channel gate. Proc. Natl. Acad. Sci. U.s.a.. 110:20813–20818.
Mazur AK.  2013.  On the origin of thermal untwisting of DNA. J. Phys. Chem. B. 117:1857–1861.
Lopes A, Sacquin-Mora S, Dimitrova V, Laine E, Ponty Y, Carbone A.  2013.  Protein-protein interactions in a crowded environment: an analysis via cross-docking simulations and evolutionary information. Plos Comput. Biol.. 9:e1003369.
Chakravarty D, Guharoy M, Robert CH, Chakrabarti P, Janin J.  2013.  Reassessing buried surface areas in protein-protein complexes.. Protein Sci.. 22:1453–57.

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