Prediction of backbone chemical shifts by PPM in ARID3AFREE and DriFREE simulations.
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Rmsd between calculated and experimental backbone chemical shifts are reported. In particular, chemical shifts were calculated for C, N, HN, Cβ, and Cα atoms on structures from the equilibrium trajectories collected every 100 ps.aFor comparison, the deviations between experimental and PPM-predicted chemical shifts for protein test sets are provided as reported in ref. [12].Prediction of backbone chemical shifts by PPM in ARID3AFREE and DriFREE simulations.
创建时间：
2015-12-02
