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Modelling the Interaction of Biomolecules with Inorganic Surfaces
July 25, 2007 to July 27, 2007
Location : CECAM
46 allée d'Italie
69007 Lyon
France
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There is 11 validated posters - Ab initio modelling of complexes between biomolecules and synthetic inhibitors
Mark Robinson, Peter Haynes - The Modulation of peptide binding by structured water on the TiO2 surface.
Adam Skelton, A.Skelton and T.Walsh - Hydrogen bond and dispersion: the driving forces of the adsorption of amino acids on silica surfaces
Albert Rimola, Piero Ugliengo and Mariona Sodupe - DFT study of the interaction between the gold(111) surface and small molecules modeling aminoacidic functional groups.
Francesco Iori, S. Corni, R. Di Felice - Ultrathin Cholesterol films on water
Stephen Cromie - Mutation studies of peptide-nanotube interactions using a polarizable force-field
Susana Tomasio, T. R. Walsh - Molecular Simulations of Hydration Structures around the Carboxylate Group in Aqueous Solvation
Taining Liang, T. R. Walsh and V. Bisetty - DFT based calculations of D-alaninol molecule interaction with Cu(100)
surface
Amedeo Palma, Paola Gori, CNR-ISM, Area della Ricerca di Roma Tor Vergata - Molecular Simulations of the Interactions of Dimethylsulfoxide (DMSO) with Model Membranes of the Skin
Rebecca Notman, Wouter den Otter, Massimo Noro, Wim Briels, Jamshed Anwar - Effective potential between a nano-cylinder and a planar wall
Michael Allen, David L Cheung - Chemical Reactivity in Biological Systems: implementation of a hybrid QM/MM Method in the DFT code SIESTA
Pablo Ordejon, M.A. Marti, A. Crespo, D. Scherlis and D.A. Estrin
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