DEER-PREdict: Software for efficient calculation of spin-labeling EPR and NMR data from conformational ensembles
Fig 2
Comparing experiments and simulations for HIV1-PR.
DEER distance distributions (A) and echo intensity curves (B) obtained by Torbeev et al. [44] from DEER experiments (blue), and calculated using DEER-PREdict from unbiased (orange) and RDC ensemble-biased MD simulations (red).