Export 809 results:
Author Title [ Type(Desc)] Year
Journal Article
Catoire L.J, Damian M., Baaden M, Guittet E., Banères J.-L..  2011.  Electrostatically–driven fast association and perdeuteration allow transferred cross–relaxation detection for G protein–coupled receptor ligands with equilibrium dissociation constants in the high–to–low nanomolar range. J Biomolecular Nmr. 50:191–5.
da Silva FLuis Barro, Pasquali S, Derreumaux P, Dias LGustavo.  2016.  Electrostatics analysis of the mutational and pH effects of the N-terminal domain self-association of the major ampullate spidroin. Soft Matter. 12:5600–5612.
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.
Nguyen PHoang, Derreumaux P, Stock G.  2009.  Energy Flow and Long-Range Correlations in Guanine-Binding Riboswitch: A Nonequilibrium Molecular Dynamics Study. J. Phys. Chem. B. 113:9340–9347.
Mu YG, Nguyen PHoang, Stock G.  2005.  Energy landscape of a small peptide revealed by dihedral angle principal component analysis. Proteins: Struct., Funct., Bioinf.. 58:45–52.
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.
Botan V, Backus EHG, Pfister R, Moretto A, Crisma M, Toniolo C, Nguyen PHoang, Stock G, Hamm P.  2007.  Energy transport in peptide helices. Proc. Natl. Acad. Sci. U.s.a.. 104:12749–12754.
Backus EHG, Nguyen PHoang, 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.
Hénin J, Lelièvre T, Shirts MR, Valsson O, Delemotte L.  2022.  Enhanced Sampling Methods for Molecular Dynamics Simulations [Article v1.0]. Living Journal of Computational Molecular Science. 4:1583.
Hallen D., Wadso I., Wasserman D.J, Robert C.H, Gill S.J.  1988.  Enthalpy of dimerization of benzene in water. J. Phys. Chem.. 92:3623–3625.
Delalande O., Sacquin-Mora S, Baaden M.  2011.  Enzyme Closure and Nucleotide Binding Structurally Lock Guanylate Kinase. Biophys. J.. 101:1440–1449.
Nguyen PHoang.  2009.  Estimating configurational entropy of complex molecules: A novel variable transformation approach. Chem. Phys. Lett.. 468:90–93.
Robert CH.  1995.  Estimating friction coefficients of mixed globular/chain molecules, such as protein/DNA complexes. Biophys. J.. 69:840–848.
Mazur AK.  2006.  Evaluation of elastic properties of atomistic DNA models. Biophys. J.. 91:4507–4518.
Kynast P, Derreumaux P, Strodel B.  2016.  Evaluation of the coarse-grained OPEP force field for protein-protein docking. Bmc Biophysics. 9
Gelly JC, Chiche L, Gracy J.  2005.  EvDTree: structure-dependent substitution profiles based on decision tree classification of 3D environments. Bmc Bioinf.. 6
Derreumaux P.  2001.  Evidence that the 127-164 region of prion proteins has two equi-energetic conformations with beta or alpha features. Biophys. J.. 81:1657–1665.
Jaiteh M, Taly A, Hénin J.  2016.  Evolution of Pentameric Ligand-Gated Ion Channels: Pro-Loop Receptors.. Plos One. 11:e0151934.
Férey N, Gros P.-E., Hérisson J., Gherbi R..  2004.  Exploration by visualization of numerical and textual genomic data. Journal of Biological Physics and Chemistry. 4:102–110.
Mousseau N, Derreumaux P.  2008.  Exploring energy landscapes of protein folding and aggregation. Front. Biosci.. 13:4495–4516.
Hénin J, Fiorin G, Chipot C, Klein ML.  2010.  Exploring Multidimensional Free Energy Landscapes Using Time-Dependent Biases on Collective Variables. J. Chem. Theory Comput.. 6:35–47.
Wei GH, Mousseau N, Derreumaux P.  2004.  Exploring the early steps of aggregation of amyloid-forming peptide KFFE. Journal of Physics-condensed Matter. 16:S5047-S5054.
Mousseau N, Derreumaux P.  2005.  Exploring the early steps of amyloid peptide aggregation by computers. Acc. Chem. Res.. 38:885–891.
Wei GH, Mousseau N, Derreumaux P.  2002.  Exploring the energy landscape of proteins: A characterization of the activation-relaxation technique. J. Chem. Phys.. 117:11379–11387.
Santini S., Wei G., Mousseau N., Derreumaux P.  2003.  Exploring the folding pathways of proteins through energy landscape sampling: Application to Alzheimer's beta-amyloid peptide. Internet Electron. J. Mol. Des.. 2:564–577.