A publication by Computational Modeling Core participant Benoît Roux and postdoc Shahidul Islam titled “Simulating the Distance Distribution between Spin-Labels Attached to Proteins,” published in Journal of Physical Chemistry B 119(10) on February 2nd, was selected as the cover illustration for that issue.
Cover Art: Simplified representation of spin-labels inserted in protein were used in molecular dynamics (MD) simulation to obtain spin-pair distance distributions that could be directly compared to those obtained from EPR/DEER for the validation of the structural models of proteins and the simplified spin-labels could also be used in restrained-ensemble MD simulation for the structural refinement of proteins by using the EPR/DEER distance distribution data.
