Cover Image, Volume 35, Issue 3
Article first published online: 25 DEC 2013
Copyright © 2013 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 35, Issue 3, pages iii–iv, 30 January 2014
How to Cite
(2014), Cover Image, Volume 35, Issue 3. J. Comput. Chem., 35: iii–iv. doi: 10.1002/jcc.23521
- Issue published online: 25 DEC 2013
- Article first published online: 25 DEC 2013
- Cited By
Transition metal complexes are used in drug design projects because of their geometrical patterns. The study by Elisabeth Ortega-Carrasco, Agusti Lledós, and Jean-Didier Maréchal on page 192 shows that state-of-the-art protein–ligand docking can reliably predict binding modes of metalodrugs. Excellent results are obtained for a series of wellcharacterized systems for which the first coordination sphere of the metal is not altered during the binding process. The general trends obtained in this work can further the use of protein–ligand docking in medicinal bioinorganics.