MD simulations was performed to validate the stability of the docking pose of radafaxine. The solvated MD system of NET complexed with radafaxine was constructed. Protonation states of residues were a
Structure Ensemble of the First Two RNA Recognition Motif Domains of a Poly(U) Binding Protein from Paramagnetic Relaxation Enhancement and Molecular Simulation Guan
(*)mT(k) and mR��(k) are the number of modes recruited at step k, starting from the respective states R�� and T; RMSD values are calculated using Eq. (3). A and B designate the respective states T and
