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Table 2 Results of the redocking experiments performed on the Renard dataset. Description as in Table 1

From: Using parallelized incremental meta-docking can solve the conformational sampling issue when docking large ligands to proteins

PDB IDDoFsatomsVinaVina10012 ×Vina24 ×VinaDINC288 ×VinaDINC best
2FIB10302.03 ±0.121.34 ±0.241.19 ±0.391.31 ±0.450.81 ±0.130.700.70
2PQ211264.45 ±0.634.20 ±0.593.52 ±0.613.12 ±0.063.02 ±0.082.661.76
1SUA11272.88 ±0.921.85 ±0.291.90 ±0.251.74 ±0.130.98 ±0.101.200.96
1NVR12293.24 ±1.023.17 ±1.111.14 ±0.161.20 ±0.191.20 ±0.180.740.74
2FNX14295.04 ±0.314.74 ±0.393.92 ±0.362.89 ±0.632.83 ±0.251.601.60
1TJ914303.66 ±1.175.73 ±0.242.32 ±0.182.13 ±0.132.02 ±0.101.531.53
2DQK14334.24 ±0.443.92 ±0.163.51 ±0.343.41 ±0.392.42 ±0.372.002.00
1GYB14362.96 ±1.344.22 ±0.391.74 ±0.181.64 ±0.851.02 ±0.150.810.81
1TK415306.66 ±1.257.70 ±0.394.83 ±0.543.46 ±0.922.87 ±0.752.031.78
1NX015324.20 ±0.863.61 ±0.223.45 ±0.033.26 ±0.093.05 ±0.351.211.21
1BE915354.70 ±1.843.41 ±1.861.38 ±0.231.21 ±0.271.25 ±0.230.850.85
1PAU16353.22 ±0.101.68 ±0.131.46 ±0.131.47 ±0.171.22 ±0.101.141.01
1IHJ16394.14 ±1.144.77 ±0.422.43 ±0.692.55 ±0.661.83 ±0.251.491.49
1JQ816407.05 ±1.706.31 ±0.804.55 ±0.634.22 ±0.131.97 ±0.121.891.68
2HPL17413.35 ±0.672.60 ±0.401.78 ±0.341.51 ±0.361.52 ±0.350.980.98
2GNS18412.53 ±1.172.09 ±0.171.98 ±0.071.64 ±0.301.58 ±0.201.151.15
2D5W19374.78 ±2.611.43 ±0.101.38 ±0.081.33 ±0.061.16 ±0.121.141.14
1TJK19418.50 ±0.919.35 ±0.727.31 ±0.156.79 ±1.094.28 ±0.151.221.22
1JWG19434.95 ±0.516.03 ±1.123.38 ±0.753.38 ±0.762.43 ±0.082.161.78
2DUJ19433.40 ±0.512.99 ±0.272.21 ±0.342.28 ±0.142.24 ±0.061.651.65
1TG419468.97 ±0.378.66 ±0.207.82 ±0.257.78 ±0.113.50 ±0.790.770.77
1SP520464.23 ±1.135.29 ±0.161.69 ±0.651.34 ±0.131.14 ±0.071.011.01
1W9E20525.91 ±1.614.59 ±2.543.19 ±1.292.23 ±0.952.32 ±0.541.541.54
1FCH21453.82 ±1.325.00 ±1.761.93 ±0.352.03 ±0.601.85 ±0.451.071.07
1BHX21464.47 ±0.524.38 ±0.853.36 ±0.662.60 ±0.352.86 ±0.561.331.33
2H9M22414.05 ±0.993.33 ±0.622.81 ±0.242.25 ±0.652.46 ±0.031.431.35
average4.52 ±0.974.32 ±0.622.93 ±0.382.64 ±0.412.07 ±0.251.361.27