Publications

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Baaden M, Berny F, Madic C, Schurhammer R, Wipff G.  2003.  Theoretical studies on lanthanide cation extraction by picolinamides: Ligand-cation interactions and interfacial behavior. Solvent Extr. Ion Exch.. 21:199–220.
Baaden M.  2020.  Computer Simulations Provide Guidance for Molecular Medicine Through Insights on Dynamics and Mechanisms at the Atomic Scale. 7th International Conference on the Development of Biomedical Engineering in Vietnam (BME7).
Baaden M, Sansom MSP.  2004.  OmpT: Molecular dynamics simulations of an outer membrane enzyme. Biophys. J.. 87:2942–2953.
Baaden M, Barboiu M, Borthakur MPratim, Chen C-L, Coalson R, Davis J, Freger V, Gong B, Hélix-Nielsen C, Hickey R et al..  2018.  Applications to water transport systems: general discussion.. Faraday Discuss. 209:389-414.
Baaden M, Schurhammer R, Wipff G.  2002.  Molecular dynamics study of the uranyl extraction by tri-n-butylphosphate (TBP): Demixing of water/''oil''/TBP solutions with a comparison of supercritical CO2 and chloroform. J. Phys. Chem. B. 106:434–441.
Baaden M, Delarue M..  2013.  Structural basis for ion permeation in a pentameric ligand-gated ion channel revealed by x-ray crystallograph.
Baaden M, Wipff G, Yaftian MR, Burgard M, Matt D.  2000.  Cation coordination by calix[4]arenes bearing amide and/or phosphine oxide pendant groups: how many arms are needed to bind Li+ vs. Na+? A combined NMR and molecular dynamics study Journal of the Chemical Society-perkin Transactions 2. :1315–1321.
Baaden M, Burgard M, Boehme C, Wipff G.  2001.  Lanthanide cation binding to a phosphoryl-calix[4]arene: the importance of solvent and counterions investigated by molecular dynamics and quantum mechanical simulations. Phys. Chem. Chem. Phys.. 3:1317–1325.
Baaden M, Marrink S.J.  2013.  Coarse-grain modelling of protein-protein interactions. Curr. Opin. Struct. Biol.. 23:878–886.
Baaden M.  2010.  Simulations numériques de systèmes biologiques complexes : dynamique, structure et fonction de transporteurs, canaux et enzymes.
Baaden M, Delalande O, Ferey N, Pasquali S, Waldispühl J, Taly A.  2018.  Ten simple rules to create a serious game, illustrated with examples from structural biology.
Baaden M, Borthakur MPratim, Casanova S, Coalson R, Freger V, Gonzalez M, Góra A, Hinds B, Hirunpinyopas W, Hummer G et al..  2018.  The modelling and enhancement of water hydrodynamics: general discussion.. Faraday Discuss. 209:273-285.
Baaden M, Burgard M, Wipff G.  2001.  TBP at the water-oil interface: The effect of TBP concentration and water acidity investigated by molecular dynamics simulations. J. Phys. Chem. B. 105:11131–11141.
Baaden M, Berny F, Boehme C, Muzet N, Schurhammer R, Wipff G.  2000.  Interaction of trivalent lanthanide cations with phosphoryl derivatives, amide, anisole, pyridine and triazine ligands: a quantum mechanics study. J. Alloys Compd.. 303:104–111.
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.
Backus EHG, Nguyen PH, Botan V, Moretto A, Crisma M, Toniolo C, Zerbe O, Stock G, Hamm P.  2008.  Structural Flexibility of a Helical Peptide Regulates Vibrational Energy Transport Properties. J. Phys. Chem. B. 112:15487–15492.
Barboiu M, Kumar M, Baaden M, Gale PA, Hinds BJ.  2019.  Highlights from the Faraday Discussion on Artificial Water Channels, Glasgow, UK.. Chem Commun (Camb). 55(27):3853-3858.
Bardiaux B., Malliavin T.E, Nilges M., Mazur AK.  2006.  Comparison of different torsion angle approaches for NMR structure determination. J. Biol. Nmr. 34:153–166.
Barducci A, Bonomi M, Derreumaux P.  2011.  Assessing the Quality of the OPEP Coarse-Grained Force Field. J. Chem. Theory Comput.. 7:1928–1934.
Bastard K., Prévost C.  2007.  Recent Research Adv. in Structural BioInformatics. :249–274.
Bastard K., Prévost C.  2007.  Flexible macromolecular docking: An overview of recent progress. Recent Research Adv. in Structural BioInformatics:249–274.
Bastard K, Prévost C, Zacharias M.  2006.  Accounting for loop flexibility during protein-protein docking. Proteins. 62:956–969.
Bastard K, Saladin A, Prévost C.  2011.  Accounting for large amplitude protein deformation during in silico macromolecular docking. Int. J. Mol. Sci.. 12:1316–33.
Bastard K, Thureau A, Lavery R, Prévost C.  2003.  Docking macromolecules with flexible segments. J. Comput. Chem.. 24:1910–20.
Bastard J, Khac DDo, Fetizon M, Prévost C, Beloeil J-C.  1991.  Mechanism of the rearrangement of the bicyclo [4.2. 0] octan system to the bicyclo [3.2. 1] octan system. Tetrahedron. 47:229–238.

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