We thank Dr. M. Bieler for computing QED values and Sarah Haller for technical support. Dr. T. Geppert performed the computational docking experiment. Dr. M. Rupp contributed the ISOAK similarity function to DOGS. This research was financially supported by the Deutsche Krebshilfe (grant no. 108651), the Wilhelm-Sander-Stiftung (grant no. 2009.024.1), the Messer-Stiftung (to B.S.), the Swiss National Science Foundation (grant no. 205321-134783), and the Deutsche Forschungsgemeinschaft (grant no. FOR1406TP4) (to G.S.). B.S. is grateful to Dr. D. Wallwiener for providing working facilities. G.S. is grateful to the Chemical Computing Group, Inc. (Montreal, Canada) for a research license of MOE.
Drugs by Numbers: Reaction-Driven De Novo Design of Potent and Selective Anticancer Leads†
Article first published online: 20 NOV 2012
Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Angewandte Chemie International Edition
Volume 52, Issue 17, pages 4676–4681, April 22, 2013
How to Cite
Spänkuch, B., Keppner, S., Lange, L., Rodrigues, T., Zettl, H., Koch, C. P., Reutlinger, M., Hartenfeller, M., Schneider, P. and Schneider, G. (2013), Drugs by Numbers: Reaction-Driven De Novo Design of Potent and Selective Anticancer Leads. Angew. Chem. Int. Ed., 52: 4676–4681. doi: 10.1002/anie.201206897
- Issue published online: 18 APR 2013
- Article first published online: 20 NOV 2012
- Manuscript Received: 25 AUG 2012
- Deutsche Krebshilfe. Grant Number: 108651
- Wilhelm-Sander-Stiftung. Grant Number: 2009.024.1
- Swiss National Science Foundation. Grant Number: 205321-134783
- Deutsche Forschungsgemeinschaft. Grant Number: FOR1406TP4
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