Items where contributor is "Rossato, Gianluca"

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Rossato, G. and Ernst, Beat and Vedani, Angelo and Smiesko, Martin. (2011) AcquaAlta: a directional approach to the solvation of ligand-protein complexes. Journal of Chemical Information and Modeling, 51 (8). pp. 1867-1881.

Ernst, Beat and Schwardt, Oliver and Mesch, Stefanie and Wittwer, Matthias and Rossato, Gianluca and Vedani, Angelo. (2010) From the ganglioside GQ1ba to glycomimetic antagonists of the myelin-associated glycoprotein (MAG). Chimia, 64 (1-2). pp. 17-22.

Mesch, Stefanie and Moser, D. and Strasser, Daniel and Kelm, A. and Cutting, Brian and Rossato, Gianluca and Vedani, Angelo and Koliwer-Brandl, H. and Wittwer, Matthias and Rabbani, Said and Schwardt, Oliver and Kelm, S. and Ernst Beat, . (2010) Low Molecular Weight Antagonists of the Myelin-associated Glycoprotein : Synthesis, Docking and Biological Evaluation. Journal of Medicinal Chemistry, Vol. 53, no. 4. pp. 1597-1615.

Schwardt, Oliver and Koliwer-Brandl, Hendrik and Zimmerli, Raphael and Mesch, Stefanie and Rossato, Gianluca and Spreafico, Morena and Vedani, Angelo and Kelm, Sorge and Ernst, Beat. (2010) Design, synthesis, biological evaluation and modeling of a non-carbohydrate antagonist of the myelin-associated glycoprotein. Bioorganic & Medicinal Chemistry, 18 (20). pp. 7239-7251.

Spreafico, Morena and Smiesko, Martin and Peristera, Ourania and Rossato, Gianluca and Vedani, Angelo. (2010) Probing small-molecule binding to the liver-X receptor : a mixed-model QSAR study. Molecular informatics, Vol. 29, H. 1-2 , S. 27–36.

Rossato, Gianluca and Ernst, Beat and Smiesko, Martin and Spreafico, Morena and Vedani, Angelo. (2010) Probing small-molecule binding to cytochrome P450 2D6 and 2C9: an in silico protocol for generating toxicity alerts. ChemMedChem, 5 (12). pp. 2088-2101.


Rossato, Gianluca. Molecular simulations on proteins of biomedical interest : A. Ligand-protein hydration B. Cytochrome P450 2D6 and 2C9 C. Myelin associated glycoprotein (MAG). 2011, Doctoral Thesis, University of Basel, Faculty of Science.