Publications

Export 809 results:
Author Title [ Type(Asc)] Year
Thesis
Baaden M.  2010.  Simulations numériques de systèmes biologiques complexes : dynamique, structure et fonction de transporteurs, canaux et enzymes.
Sacquin-Mora S.  2003.  Fluide nanoconfines dans des systemes de basse symetrie : Simulations et Theorie.
Férey N.  2006.  Exploration Immersive de Données Génomiques Textuelles et Factuelles : vers une approche par Visual Mining.
Baaden M.  2000.  Etudes de molécules extractantes en solution et aux interfaces liquide-liquide: aspects structuraux et mécanistiques des effets de synergie.
Sacquin-Mora S.  2011.  Coarse-grain models for proteins: Mechanical properties and interactions.
Miscellaneous
Baaden M, Delalande O, Férey N, Pasquali S, Waldispühl J, Taly A.  2018.  Ten simple rules to create a serious game, illustrated with examples from structural biology.
Baaden M, Delarue M..  2013.  Structural basis for ion permeation in a pentameric ligand-gated ion channel revealed by x-ray crystallograph.
Baaden M.  1999.  Molecular Modeling with the ChemOffice Ultra 4.5 program suite..
Manuscript
Rahaman O., Kalimeri M., Katava M., Paciaroni A., Sterpone F..  2017.  Configurational Disorder of Water Hydrogen Bond Network at the Protein Dynamical Transition. J. Phys. Chem. B. 121:6792−6798.
Magazine Article
Maiocchi P., Derreumaux P, Sterpone F., Melchionna S..  2019.  Mesoscale biosimulations within a unified framework: from proteins to plasmids. Molecular Simulation. :1-12.
Journal Article
Russo P., Taly A.  2012.  α7-Nicotinic acetylcholine receptors: an old actor for new different roles. Curr. Drug Targets. 13:574–578.
Nury H., Van Renterghem C., Weng Y., Tran A., Baaden M, Dufresne V., Changeux J.-P., Sonner J.M, Delarue M., Corringer P.-J..  2011.  X-ray structures of general anaesthetics bound to a pentameric ligand-gated ion channel. Nature. 469:428–431.
Bocquet N., Nury H., Baaden M, Le Poupon C., Changeux J.P, Delarue M., Corringer P.J.  2009.  X-ray structure of a pentameric ligand-gated ion channel in an apparently open conformation. Nature. 457:111–114.
Mazur AK.  2007.  Wormlike chain theory and bending of short DNA. Phys. Rev. Lett.. 98:218102.
Laage D, Stirnemann G, Hynes JT.  2009.  Why water reorientation slows without iceberg formation around hydrophobic solutes. J. Phys. Chem. B. 113:2428–2435.
Doig AJ, Del Castillo-Frias MP, Berthoumieu O, Tarus B, Nasica-Labouze J, Sterpone F, Nguyen PHoang, Hooper NM, Faller P, Derreumaux P.  2017.  Why Is Research on Amyloid-β Failing to Give New Drugs for Alzheimer's Disease? ACS Chem Neurosci. 8(7):1435-1437.
Sacquin-Mora S, Prévost C.  2021.  When Order Meets Disorder: Modeling and Function of the Protein Interface in Fuzzy Complexes. Biomolecules. 11:1529.
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.
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.
Boyer B, Danilowicz C, Prentiss M, Prévost C.  2019.  Weaving DNA strands: structural insight on ATP hydrolysis in RecA-induced homologous recombination. Nucleic Acids Res. 47:7798-7808.
Mazur AK.  2017.  Weak nanoscale chaos and anomalous relaxation in DNA. Phys. Rev. E. 95:062417.
Sterpone F, Spanu L., Ferraro L., Sorella S., Guidoni L..  2008.  Water-water hydrogen bond studied by QMC. J. Chem. Theory. Comput.. 4:1428–1432.
Marchi M, Sterpone F, Ceccarelli M.  2002.  Water rotational relaxation and diffusion in hydrated lysozyme. J. Am. Chem. Soc.. 124:6787–91.
Stirnemann G, Rossky PJ, Hynes JT, Laage D.  2010.  Water reorientation, hydrogen-bond dynamics and 2D-IR spectroscopy next to an extended hydrophobic surface.. Farad. Discuss.. 146:263–281.
Boisson J, Stirnemann G, Laage D, Hynes JT.  2011.  Water reorientation dynamics in the first hydration shells of F- and I-. Phys. Chem. Chem. Phys.. 13:19895.

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