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Simonin, Céline; Awale, Mahendra; Brand, Michael; van Deursen, Ruud; Schwartz, Julian; Fine, Michael; Kovacs, Gergely; Häfliger, Pascal; Gyimesi, Gergely; Sithampari, Abilashan; Charles, Roch-Philippe; Hediger, Matthias; Reymond, Jean-Louis (2015). Optimization of TRPV6 Calcium Channel Inhibitors Using a 3D Ligand-Based Virtual Screening Method. Angewandte Chemie (International ed.), 54(49), pp. 14748-14752. Wiley-VCH 10.1002/anie.201507320
Awale, Mahendra; van Deursen, Ruud; Reymond, Jean-Louis (2013). MQN-Mapplet: Visualization of Chemical Space with Interactive Maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13. Journal of chemical information and modeling, 53(2), pp. 509-518. American Chemical Society 10.1021/ci300513m
Reymond, Jean-Louis; Ruddigkeit, Lars; Blum, Lorenz; van Deursen, Ruud (2012). The enumeration of chemical space. Wiley interdisciplinary reviews WIREs - computational molecular science, 2(5), pp. 717-733. Hoboken, N.J.: Wiley-Blackwell 10.1002/wcms.1104
Ruddigkeit, Lars; van Deursen, Ruud; C.Blum, Lorenz; Reymond, Jean-Louis (2012). Enumeration of 166 Billion Organic Small Molecules in the Chemical Universe Database GDB-17. Journal of chemical information and modeling, 52(11), pp. 2864-2875. Washington, D.C.: American Chemical Society 10.1021/ci300415d
Blum, Lorenz C.; van Deursen, Ruud; Bertrand, Sonia; Mayer, Milena; Buergi, Justus J.; Bertrand, Daniel; Reymond, Jean-Louis (2011). Discovery of alpha 7-Nicotinic Receptor Ligands by Virtual Screening of the Chemical Universe Database GDB-13. Journal of chemical information and modeling, 51(12), pp. 3105-3112. Washington, D.C.: American Chemical Society 10.1021/ci200410u
Blum, Lorenz C.; van Deursen, Ruud; Reymond, Jean-Louis (2011). Visualisation and subsets of the chemical universe database GDB-13 for virtual screening. Journal of computer-aided molecular design, 25(7), pp. 637-647. Dordrecht: Springer Netherlands 10.1007/s10822-011-9436-y
Reymond, Jean-Louis; van Deursen, Ruud; Bertrand, D. (2011). What we have learned from crystal structures of proteins to receptor function. Biochemical pharmacology, 82(11), pp. 1521-1527. New York, N.Y.: Elsevier 10.1016/j.bcp.2011.07.061
Reymond, Jean-Louis; Blum, Lorenz C.; van Deursen, Ruud (2011). Exploring the Chemical Space of Known and Unknown Organic Small Molecules at www.gdb.unibe.ch. CHIMIA, 65(11), pp. 863-867. Bern: Schweizerische Chemische Gesellschaft 10.2533/chimia.2011.863
van Deursen, Ruud; Blum, Lorenz C.; Reymond, Jean-Louis (2011). Visualisation of the chemical space of fragments, lead-like and drug-like molecules in PubChem. Journal of computer-aided molecular design, 25(7), pp. 649-662. Dordrecht: Springer Netherlands 10.1007/s10822-011-9437-x
Garcia-Delgado, Noemi; Bertrand, Sonia; Nguyen, Kong T.; van Deursen, Ruud; Bertrand, Daniel; Reymond, Jean-Louis (2010). Exploring a7-Nicotinic Receptor Ligand Diversity by Scaffold Enumeration from the Chemical Universe Database GDB. ACS medicinal chemistry letters, 1(8), pp. 422-426. Washington, D.C.: American Chemical Society 10.1021/ml100125f
Reymond, Jean-Louis; van Deursen, Ruud; Blum, Lorenz C.; Ruddigkeit, Lars (2010). Chemical space as a source for new drugs. Medicinal chemistry communications - MedChemComm, 1(1), p. 30. Cambridge: Royal Society of Chemistry 10.1039/c0md00020e
Nguyen, Kong Thong; Blum, Lorenz C.; van Deursen, Ruud; Reymond, Jean-Louis (2008). Classification of Organic Molecules by Molecular Quantum Numbers (Communication). ChemMedChem, 4(11), pp. 1803-1805. Weinheim: Wiley-VCH 10.1002/cmdc.200900317
van Deursen, Ruud; Reymond, Jean-Louis (2007). Chemical Space Travel. ChemMedChem, 2(5), pp. 636-640. Weinheim: Wiley-VCH 10.1002/cmdc.200700021
