Molecular basis for the increased affinity of an RNA recognition motif with re-engineered specificity: A molecular dynamics and enhanced sampling simulations study
Table 2
Hydrogen bonds at the binding interface of the Rbfox•pre-miR20b complex observed during the MD simulations (Table 1, sim. 8–13).
The average donor-acceptor distances and angles are calculated over the entire simulation ensemble for the trajectory frames in which the individual H-bonds are observed. The interactions are further characterized by their occupancy in the individual simulation trajectories 8–13.