Publications

Export 238 results:
Author Title Type [ Year(Desc)]
Filters: First Letter Of Last Name is L  [Clear All Filters]
2012
Laage D, Stirnemann G, Hynes JT.  2012.  Water jump reorientation and ultrafast vibrational spectroscopy. J. Photochem. Photobiol. A. 234:75–82.
Laage D, Stirnemann G, Sterpone F, Hynes JT.  2012.  Water Jump Reorientation: From Theoretical Prediction to Experimental Observation. Acc. Chem. Res.. 45:53–62.
2013
Fogarty AC, Duboué-Dijon E, Sterpone F, Hynes JT, Laage D.  2013.  Biomolecular hydration dynamics: a jump model perspective. Chem. Soc. Rev.. 42:5672–5683.
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 PHoang, 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.
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.
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.
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.
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.
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.
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.
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.
2014
Nguyen PHoang, Li MSuan, Derreumaux P.  2014.  Amyloid oligomer structure characterization from simulations: A general method. J. Chem. Phys.. 140:094105.
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.
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.
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.
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.
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.
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.
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.
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.
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.

Pages