Cover Image, Volume 39, Issue 21

In the field of rational design, molecular dynamics simulations are becoming increasingly important because they provide a deep insight into the system of interest. In their article on page 1666, Maximilian J. Dombrowsky and colleagues introduce streaMD, a package for the statistical language R. streaMD allows its users to write and load trajectories directly from the MD simulation suite Gromacs into R, use a lightweight storage format, and employ common analytical methods and advanced applications based on dynamic graphs. Some benchmarks of core functions and exemplary application scenarios are also presented. (DOI: 10.1002/jcc.25197 )