Publications

Export 799 results:
Author Title Type [ Year(Asc)]
2008
St-Pierre J-F, Mousseau N, Derreumaux P.  2008.  The complex folding pathways of protein A suggest a multiple-funnelled energy landscape. J. Chem. Phys.. 128:045101.
Altis A, Otten M, Nguyen PH, Hegger R, Stock G.  2008.  Construction of the free energy landscape of biomolecules via dihedral angle principal component analysis. J. Chem. Phys.. 128
Hénin J, Tajkhorshid E, Schulten K, Chipot C.  2008.  Diffusion of glycerol through Escherichia coli aquaglyceroporin GlpF. Biophys. J.. 94:832–839.
Sterpone F, Spanu L, Ferraro L, Sorella S, Guidoni L.  2008.  Dissecting the Hydrogen Bond: A Quantum Monte Carlo Approach. J Chem Theo Comp. 4:1428–1434.
Cailliez F, Stirnemann G, Boutin A, Demachy I, Fuchs AH.  2008.  Does water condense in hydrophobic cavities? A molecular simulation study of hydration in heterogeneous nanopores J. Phys. Chem. C. 112:10435–10445.
Mazur AK.  2008.  The electrostatic origin of low-hydration polymorphism in DNA. Chemphyschem in Press. 9:2691–2694.
Brannigan G, Hénin J, Law R, Eckenhoff RG, Klein ML.  2008.  Embedded cholesterol in the nicotinic acetylcholine receptor. Proc. Natl. Acad. Sci. U.s.a.. 105:14418–14423.
Dong X, Chen W, Mousseau N, Derreumaux P.  2008.  Energy landscapes of the monomer and dimer of the Alzheimer's peptide A beta(1-28). J. Chem. Phys.. 128:125108.
Backus EHG, Nguyen PH, Botan V, Pfister R, Moretto A, Crisma M, Toniolo C, Stock G, Hamm P.  2008.  Energy transport in peptide helices: A comparison between high- and low-energy excitations. J. Phys. Chem. B. 112:9091–9099.
Mousseau N, Derreumaux P.  2008.  Exploring energy landscapes of protein folding and aggregation. Front. Biosci.. 13:4495–4516.
Taly A, Changeux J-P.  2008.  Functional organization and conformational dynamics of the nicotinic receptor: a plausible structural interpretation of myasthenic mutations. Ann. N. Y. Acad. Sci.. 1132:42–52.
Pasquali S., Maggs A.C..  2008.  Fluctuation-induced interactions between dielectrics. J. Chem. Phys.. 129:014703.
Chebaro Y, Derreumaux P..  2008.  Free energy surface of Abeta(16-22) complexed by N-methylated Abeta16-22 inhibitors. Publication Series of the John von Neumann Institute for Computing NIC Series. 40:177–179.
Férey N., Delalande O., Grasseau G., Baaden M.  2008.  From Interactive to Immersive Molecular Dynamics. Workshop on Virtual Reality Interaction and Physical Simulation (VRIPHYS 08 - Eurographics). :89–96.
Kamashev D, Balandina A, Mazur AK, Arimondo PB, Rouviere-Yan, iv J.  2008.  HU binds and folds single-stranded DNA. Nucl. Acids Res.. 36:1026–1036.
Sacquin-Mora S, Carbone A., Lavery R.  2008.  Identification of Protein Interaction Partners and Protein-Protein Interaction Sites. J. Mol. Biol.. 382:1276–1289.
Heddi B, Foloppe N, Oguey C, Hartmann B.  2008.  Importance of accurate DNA structures in solution: the Jun-Fos model.. J. Mol. Biol.. 382:956–70.
Poulain P, Saladin A, Hartmann B, Prévost C.  2008.  Insights on protein-DNA recognition by coarse grain modelling. J. Comput. Chem.. 29:2582–92.
Durrieu M-P, Lavery R, Baaden M.  2008.  Interactions between neuronal fusion proteins explored by molecular dynamics. Biophys. J.. 94:3436–3446.
Brovchenko I, Krukau A, Oleinikova A, Mazur AK.  2008.  Ion dynamics and water percolation effects in DNA polymorphism. J. Am. Chem. Soc.. 130:121–131.
Gracy J, Le-Nguyen D, Gelly J-C, Kaas Q, Heitz A, Chiche L.  2008.  KNOTTIN: the knottin or inhibitor cystine knot scaffold in 2007. Nucleic Acids Res.. 36:D314-D319.
Chavent M, Levy B, Maigret B.  2008.  MetaMol: High quality visualization of Molecular Skin Surface. J. Mol. Graphics Modell.. 27:209–213.
Neri M, Baaden M, Carnevale V, Anselmi C, Maritan A, Carloni P.  2008.  Microseconds dynamics simulations of the outer-membrane protease T. Biophys. J.. 94:71–78.
Sterpone F, Rossky PJ.  2008.  Molecular modeling and simulation of conjugated polymer oligomers: ground and excited state chain dynamics of PPV in the gas phase. J. Phys. Chem. B. 112:4983–93.
Beautrait A, Leroux V, Chavent M, Ghemtio L, Devignes M.-D, Smail-Tabbone M, Cai W, Shao X, Moreau G, Bladon P et al..  2008.  Multiple-step virtual screening using VSM-G: Overview and validation of fast geometrical matching enrichment. J. Mol. Model.. 14:393–401.

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