Publications

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Murail S, Vasiliu T, Neamtu A, Barboiu M, Sterpone F, Baaden M.  2018.  Water permeation across artificial I-quartet membrane channels: from structure to disorder.. Faraday Discuss. 209:125-148.
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.
Mousseau N, Barkema GT, Chubynsky MV, Derreumaux P, El-Mellouhi F, Vocks H.  2006.  PHYS 4-Applications of activated methods to proteins and materials science. Abstracts of Papers of the American Chemical Society. 232
Mousseau N, Derreumaux P, Barkema GT, Malek R.  2001.  Sampling activated mechanisms in proteins with the activation-relaxation technique. Journal of Molecular Graphics \& Modelling. 19:78–86.
Mousseau N, Derreumaux P.  2008.  Exploring energy landscapes of protein folding and aggregation. Front. Biosci.. 13:4495–4516.
Mousseau N, Derreumaux P, Gilbert G.  2005.  Navigation and analysis of the energy landscape of small proteins using the activation-relaxation technique. Phys. Biol.. 2:S101-S107.
Mousseau N, Derreumaux P.  2005.  Exploring the early steps of amyloid peptide aggregation by computers. Acc. Chem. Res.. 38:885–891.
Mouawad L, Perahia D, Robert CH, Guilbert C.  2002.  New insights into the allosteric mechanism of human hemoglobin from molecular dynamics simulations. Biophys. J.. 82:3224–3245.
Moraga-Cid G., Sauguet L., Huon C., Malherbe L., Girard-Blanc C., Petres S., Murail S., Taly A, Baaden M, Delarue M. et al..  2015.  Allosteric and hyperekplexic mutant phenotypes investigated on an α1 glycine receptor transmembrane structure. Proc. Natl. Acad. Sci. U.s.a.. 112:2865–2870.
Montagna M, Sterpone F, Guidoni L.  2012.  Structural and Spectroscopic Properties of Water around Small Hydrophobic Solutes. The Journal of Physical Chemistry B. 116:11695–11700.
Mondal J, Halverson D, Li ITS, Stirnemann G, Walker GC, Berne BJ.  2015.  How osmolytes influence hydrophobic polymer conformations: A unified view from experiment and theory.. Proc. Natl. Acad. Sci. Usa. 112:9270–5.
Mondal J, Stirnemann G, Berne BJ.  2013.  When Does Trimethylamine N-Oxide Fold a Polymer Chain and Urea Unfold It? J. Phys. Chem. B. 117:8723–8732.
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, Westermaier Y, Moutte M, Ducrot P, Danilowicz C, Godoy-Carter V, Prentiss M, Robert CH, Baaden M, Prévost C.  2022.  Building Biological Relevance Into Integrative Modelling of Macromolecular Assemblies. Frontiers in Molecular Biosciences. 9:826136.
Mo Y, Lu Y, Wei G, Derreumaux P.  2009.  Structural diversity of the soluble trimers of the human amylin(20-29) peptide revealed by molecular dynamics simulations. J. Chem. Phys.. 130:125101.
Miteva MA, Robert CH, Marechal J.D, Perahia D.  2011.  Receptor Flexibility in Ligand Docking and Virtual Screening.. In-silico lead discovery.
Miné-Hattab J, Fleury G, Prévost C, Dutreix M, Viovy J-L.  2011.  Optimizing the design of oligonucleotides for homology directed gene targeting. Plos One. 6:e14795.
Migliore M, Bonvicini A, Tognetti V, Guilhaudis L, Baaden M, Oulyadi H, Joubert L, Ségalas-Milazzo I.  2020.  Characterization of β-turns by electronic circular dichroism spectroscopy: a coupled molecular dynamics and time-dependent density functional theory computational study.. Phys Chem Chem Phys. 22(3):1611-1623.
Melquiond A., Gelly J.C., Mousseau N., Derreumaux P.  2007.  Probing amyloid fibril formation of the NFGAIL peptide by computer simulations. J. Chem. Phys.. 126:065101.
Melquiond A, Dong X, Mousseau N, Derreumaux P.  2008.  Role of the region 23-28 in A beta fibril formation: Insights from simulations of the monomers and dimers of Alzheimer's peptides A beta 40 and A beta 42. Curr. Alzheimer Res.. 5:244–250.
Melquiond A, Boucher G, Mousseau N, Derreumaux P.  2005.  Following the aggregation of amyloid-forming peptides by computer simulations. J. Chem. Phys.. 122:174904.
Melquiond A, Mousseau N, Derreumaux P.  2006.  Structures of soluble amyloid oligomers from computer simulations. Proteins: Struct., Funct., Bioinf.. 65:180–191.
Mazzanti L, Doutreligne S, Gageat C, Derreumaux P, Taly A, Baaden M, Pasquali S.  2017.  What Can Human-Guided Simulations Bring to RNA Folding? Biophys J. 113(2):302-312.
Mazur AK.  1999.  Symplectic integration of closed chain rigid body dynamics with internal coordinate equations of motion. J. Chem. Phys.. 111:1407–1414.
Mazur AK, Abagyan R.A, Elyakov G.B.  1989.  A new approach to the modelling of the structure and dynamics of biomacromolecules and their complexes. Doklady. Biophysics. 304:456–460.

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