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Table 6 RMSD and correlation coefficients (r) between experimental and calculated values obtained averaging over different time intervals, using the MM/GBSA(+ HB) model.

From: Identification of DNA-binding protein target sequences by physical effective energy functions: free energy analysis of lambda repressor-DNA complexes.

  MM/GBSA+(HB)
  rmsd r
0.0–0.5 ns 0.993 0.534
0.5–1.0 ns 1.126 0.284
0.0–1.0 ns 1.098 0.356