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Table 4 Results of the redocking experiments performed on the Hou 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
2W5G7385.29 ±2.113.84 ±2.232.20 ±0.721.46 ±0.551.09 ±0.050.840.84
3EB18305.60 ±0.165.72 ±0.034.68 ±0.444.52 ±0.173.01 ±0.574.231.96
2BVR9315.78 ±0.874.79 ±0.354.08 ±0.603.69 ±0.613.55 ±0.573.031.90
3AAQ9422.30 ±0.211.76 ±0.701.56 ±0.500.96 ±0.472.07 ±0.100.550.55
3UIL10147.78 ±0.598.78 ±0.586.22 ±0.296.30 ±0.152.79 ±0.213.052.56
3USX12166.78 ±0.256.92 ±0.175.84 ±0.425.45 ±0.612.89 ±0.842.722.05
1G7V12293.36 ±0.585.36 ±0.362.34 ±0.412.37 ±0.242.43 ±0.271.871.72
3DRI13428.13 ±0.918.51 ±1.175.46 ±1.094.15 ±0.373.46 ±0.453.902.94
3EAX14485.93 ±0.636.16 ±0.435.29 ±0.195.20 ±0.454.85 ±0.234.414.29
3R0Y15504.46 ±0.524.86 ±0.054.07 ±0.103.93 ±0.043.85 ±0.103.893.34
4FNN16203.87 ±1.014.23 ±0.532.46 ±0.492.31 ±0.401.75 ±0.231.421.42
2BVS17424.62 ±1.104.11 ±0.163.31 ±0.603.29 ±0.703.01 ±0.692.062.06
3FVH18534.87 ±0.201.46 ±0.204.21 ±0.103.61 ±0.443.07 ±0.292.902.23
1SH918564.73 ±3.161.63 ±0.371.55 ±0.411.39 ±0.171.25 ±0.070.820.82
1STR20642.73 ±0.863.29 ±1.132.06 ±0.301.74 ±0.241.85 ±0.121.371.37
2CE920685.46 ±1.766.96 ±0.262.70 ±2.052.46 ±1.721.28 ±0.150.860.86
3GX021505.27 ±0.764.12 ±0.792.45 ±0.712.64 ±1.181.76 ±0.101.631.63
3JZH21547.13 ±0.318.23 ±0.896.57 ±0.136.61 ±0.125.15 ±1.534.932.48
4E6722682.54 ±0.862.62 ±0.181.08 ±0.301.12 ±0.211.24 ±0.250.630.63
3H8923815.18 ±0.915.81 ±0.103.46 ±0.294.00 ±0.981.64 ±0.312.711.33
2HKF25705.69 ±1.303.16 ±0.782.62 ±0.881.99 ±0.671.67 ±0.301.251.25
4GAH27716.17 ±2.243.34 ±0.743.22 ±0.812.92 ±0.662.08 ±0.241.511.51
3IFL27764.35 ±0.323.96 ±0.133.08 ±0.472.33 ±0.312.32 ±0.061.721.72
4EZX28725.56 ±0.946.20 ±0.185.27 ±0.685.29 ±0.183.32 ±0.583.292.23
3URI28795.17 ±1.222.58 ±0.912.15 ±0.281.84 ±0.301.76 ±0.151.451.45
1BAI29753.79 ±1.942.20 ±0.251.78 ±0.321.84 ±0.141.74 ±0.091.361.36
2ER630785.75 ±1.841.58 ±0.062.20 ±0.811.65 ±0.161.50 ±0.111.261.26
1M4H31764.98 ±2.532.92 ±0.642.29 ±0.352.19 ±0.642.08 ±0.161.511.51
average5.12 ±1.074.47 ±0.513.36 ±0.533.12 ±0.462.44 ±0.322.181.76