Cover Image, Volume 35, Issue 5



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.