Cover Image, Volume 34, Issue 30
Article first published online: 10 OCT 2013
Copyright © 2013 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 34, Issue 30, pages iii–iv, 15 November 2013
How to Cite
(2013), Cover Image, Volume 34, Issue 30. J. Comput. Chem., 34: iii–iv. doi: 10.1002/jcc.23468
- Issue published online: 10 OCT 2013
- Article first published online: 10 OCT 2013
- Cited By
GalaxyDock2 by Woong-Hee Shin et al. on page 2647 is a protein-ligand docking program that performs conformational space annealing (CSA) global optimization to find the optimal binding pose of a ligand both in the rigid-receptor mode and the flexiblereceptor mode. Compared to the earlier version, GalaxyDock2 is improved by the efficient generation of high-quality initial conformations for CSA using a predocking method based on a betacomplex derived from the Voronoi diagram of receptor atoms. The cover shows that docking in the flexible mode can be effectively performed using the beta-complex and global optimization. GalaxyDock2 is freely available at http://galaxy.seoklab.org/softwares/galaxydock.html.