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. 2017 Feb 16;12(2):e0172072. doi: 10.1371/journal.pone.0172072

Table 1. Fraction of near-native protein-protein geometries obtained for the pdb2oo9-homodimer in RP-REMD-DOCK and MD simulations.

fraction of near native solutions in reference replica
Start struct. (RMSDlig >25 Å 0–10 ns RMSDlig<2 Å (<4 Å) 10–20 ns RMSDlig<2 Å (<4 Å)
RP-REMD-DOCK 1 (2) 0.10 (0.43) 0.15 (0.55)
RP-REMD-DOCK 2 (3) 0.06 (0.21) 0.10 (0.28)
RP-REMD-DOCK 3 (5) 0.07 (0.25) 0.20 (0.64)
RP-REMD-DOCK 4 (6) 0.08 (0.23) 0.11(0.34)
RP-REMD-DOCK 5 (7) 0.18 (0.48) 0.24 (0.87)
MD-1 (10 x 20 ns) (3) 0.00 (0.00) 0.00 (0.02)
MD-2 (10 x 20 ns) (6) 0.03 (0.09) 0.04 (0.10)