Cover Image, Volume 35, Issue 5
Article first published online: 22 JAN 2014
Copyright © 2013 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 35, Issue 5, pages iii–iv, 15 February 2014
How to Cite
(2014), Cover Image, Volume 35, Issue 5. J. Comput. Chem., 35: iii–iv. doi: 10.1002/jcc.23530
- Issue published online: 22 JAN 2014
- Article first published online: 22 JAN 2014
- Cited By
Peptoids are a class of bioinspired polymers that differ from peptides in respect to where their sidechains (green) are placed on the backbone. To enable the predictive molecular simulation of peptoids, which has applications in drug design and molecular self-assembly, Dina Mirijanian, Ranjan Mannige, Ronald Zuckermann, and Stephen Whitelam present on page 360 a first-generation CHARMM-based atomistic forcefield designed for peptoids. The cover shows forcefield calculations of the flexibility of a peptoid backbone (Ramachandran plot), which agree with quantum mechanical calculations of the same.