We thank Stewart Adcock for writing the program to generate the initial conformers of 1 and for helpful discussions, and Accelrys for providing the Insight II 2000 software. This work was supported by the University of California, San Diego, a Chris and Warren Hellman Faculty Scholar award (S.M.C.), a Hellman Fellows award (S.M.C.), an American Cancer Society Grant (IRG-70-002-29 to S.M.C.), an NIH Grant (GM-60202-03 to D.T.P.), and, in part, by grants from the NIH, NSF, San Diego Supercomputer Center, Accelrys Inc., NBCR, and W. M. Keck Foundation (to J.A.M.).
From Model Complexes to Metalloprotein Inhibition: A Synergistic Approach to Structure-Based Drug Discovery†
Article first published online: 13 AUG 2003
Copyright © 2003 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Volume 115, Issue 32, pages 3902–3904, August 18, 2003
How to Cite
Puerta, D. T., Schames, J. R., Henchman, R. H., McCammon, J. A. and Cohen, S. M. (2003), From Model Complexes to Metalloprotein Inhibition: A Synergistic Approach to Structure-Based Drug Discovery. Angew. Chem., 115: 3902–3904. doi: 10.1002/ange.200351433
- Issue published online: 13 AUG 2003
- Article first published online: 13 AUG 2003
- Manuscript Received: 18 MAR 2003
Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2001/2003/z51433_s.pdf or from the author.
Please note: Wiley Blackwell is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.