Items where contributor is "Rossato, Gianluca"

2011

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.

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.

2010

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.