Cover Image, Volume 34, Issue 25
Article first published online: 19 AUG 2013
Copyright © 2013 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 34, Issue 25, pages i–ii, 30 September 2013
How to Cite
(2013), Cover Image, Volume 34, Issue 25. J. Comput. Chem., 34: i–ii. doi: 10.1002/jcc.23425
- Issue published online: 19 AUG 2013
- Article first published online: 19 AUG 2013
- Cited By
GTKDynamo is an open-source graphical interface that combines the molecular modeling program (pDynamo) with the PyMOL molecular visualizer, which enables the determination of reaction pathways in biological systems using hybrid quantum chemical/molecular mechanical (QC/MM) potentials. The cover shows a chemical reaction step of the dehalogenase enzyme performed with GTKDynamo by José Fernando R. Bachega et al. on page 2190. The electron density of the quantum chemical region is shown as a blue mesh.