complex_id stringlengths 6 8 | ligand_pdbqt_path stringlengths 34 38 | target_pdbqt_path stringlengths 34 38 | decoys_pdbqt_path stringlengths 34 38 ⌀ | decoy_scores_csv_path stringlengths 38 42 ⌀ |
|---|---|---|---|---|
1W6F-ISZ | data/1W/1W6F-ISZ/1W6F-ISZ_ligand.pdbqt | data/1W/1W6F-ISZ/1W6F-ISZ_target.pdbqt | data/1W/1W6F-ISZ/1W6F-ISZ_decoys.pdbqt | data/1W/1W6F-ISZ/1W6F-ISZ_decoy_scores.csv |
1W6J-R71 | data/1W/1W6J-R71/1W6J-R71_ligand.pdbqt | data/1W/1W6J-R71/1W6J-R71_target.pdbqt | data/1W/1W6J-R71/1W6J-R71_decoys.pdbqt | data/1W/1W6J-R71/1W6J-R71_decoy_scores.csv |
1WC7-PP3 | data/1W/1WC7-PP3/1WC7-PP3_ligand.pdbqt | data/1W/1WC7-PP3/1WC7-PP3_target.pdbqt | data/1W/1WC7-PP3/1WC7-PP3_decoys.pdbqt | data/1W/1WC7-PP3/1WC7-PP3_decoy_scores.csv |
1W2H-ATM | data/1W/1W2H-ATM/1W2H-ATM_ligand.pdbqt | data/1W/1W2H-ATM/1W2H-ATM_target.pdbqt | data/1W/1W2H-ATM/1W2H-ATM_decoys.pdbqt | data/1W/1W2H-ATM/1W2H-ATM_decoy_scores.csv |
1W7G-MIU | data/1W/1W7G-MIU/1W7G-MIU_ligand.pdbqt | data/1W/1W7G-MIU/1W7G-MIU_target.pdbqt | data/1W/1W7G-MIU/1W7G-MIU_decoys.pdbqt | data/1W/1W7G-MIU/1W7G-MIU_decoy_scores.csv |
1WRK-TFP | data/1W/1WRK-TFP/1WRK-TFP_ligand.pdbqt | data/1W/1WRK-TFP/1WRK-TFP_target.pdbqt | data/1W/1WRK-TFP/1WRK-TFP_decoys.pdbqt | data/1W/1WRK-TFP/1WRK-TFP_decoy_scores.csv |
1WPY-BTN | data/1W/1WPY-BTN/1WPY-BTN_ligand.pdbqt | data/1W/1WPY-BTN/1WPY-BTN_target.pdbqt | data/1W/1WPY-BTN/1WPY-BTN_decoys.pdbqt | data/1W/1WPY-BTN/1WPY-BTN_decoy_scores.csv |
1W8Y-NCF | data/1W/1W8Y-NCF/1W8Y-NCF_ligand.pdbqt | data/1W/1W8Y-NCF/1W8Y-NCF_target.pdbqt | data/1W/1W8Y-NCF/1W8Y-NCF_decoys.pdbqt | data/1W/1W8Y-NCF/1W8Y-NCF_decoy_scores.csv |
1WUN-P5B | data/1W/1WUN-P5B/1WUN-P5B_ligand.pdbqt | data/1W/1WUN-P5B/1WUN-P5B_target.pdbqt | data/1W/1WUN-P5B/1WUN-P5B_decoys.pdbqt | data/1W/1WUN-P5B/1WUN-P5B_decoy_scores.csv |
1WWK-NAD | data/1W/1WWK-NAD/1WWK-NAD_ligand.pdbqt | data/1W/1WWK-NAD/1WWK-NAD_target.pdbqt | data/1W/1WWK-NAD/1WWK-NAD_decoys.pdbqt | data/1W/1WWK-NAD/1WWK-NAD_decoy_scores.csv |
1WC3-APC | data/1W/1WC3-APC/1WC3-APC_ligand.pdbqt | data/1W/1WC3-APC/1WC3-APC_target.pdbqt | null | null |
1WKG-POI | data/1W/1WKG-POI/1WKG-POI_ligand.pdbqt | data/1W/1WKG-POI/1WKG-POI_target.pdbqt | data/1W/1WKG-POI/1WKG-POI_decoys.pdbqt | data/1W/1WKG-POI/1WKG-POI_decoy_scores.csv |
1WZE-NAD | data/1W/1WZE-NAD/1WZE-NAD_ligand.pdbqt | data/1W/1WZE-NAD/1WZE-NAD_target.pdbqt | data/1W/1WZE-NAD/1WZE-NAD_decoys.pdbqt | data/1W/1WZE-NAD/1WZE-NAD_decoy_scores.csv |
1WXI-AMP | data/1W/1WXI-AMP/1WXI-AMP_ligand.pdbqt | data/1W/1WXI-AMP/1WXI-AMP_target.pdbqt | data/1W/1WXI-AMP/1WXI-AMP_decoys.pdbqt | data/1W/1WXI-AMP/1WXI-AMP_decoy_scores.csv |
1W5S-ADP | data/1W/1W5S-ADP/1W5S-ADP_ligand.pdbqt | data/1W/1W5S-ADP/1W5S-ADP_target.pdbqt | data/1W/1W5S-ADP/1W5S-ADP_decoys.pdbqt | data/1W/1W5S-ADP/1W5S-ADP_decoy_scores.csv |
1W8G-ICT | data/1W/1W8G-ICT/1W8G-ICT_ligand.pdbqt | data/1W/1W8G-ICT/1W8G-ICT_target.pdbqt | data/1W/1W8G-ICT/1W8G-ICT_decoys.pdbqt | data/1W/1W8G-ICT/1W8G-ICT_decoy_scores.csv |
1W9I-ADP | data/1W/1W9I-ADP/1W9I-ADP_ligand.pdbqt | data/1W/1W9I-ADP/1W9I-ADP_target.pdbqt | null | null |
1W5T-ANP | data/1W/1W5T-ANP/1W5T-ANP_ligand.pdbqt | data/1W/1W5T-ANP/1W5T-ANP_target.pdbqt | data/1W/1W5T-ANP/1W5T-ANP_decoys.pdbqt | data/1W/1W5T-ANP/1W5T-ANP_decoy_scores.csv |
1W0Y-BGC | data/1W/1W0Y-BGC/1W0Y-BGC_ligand.pdbqt | data/1W/1W0Y-BGC/1W0Y-BGC_target.pdbqt | data/1W/1W0Y-BGC/1W0Y-BGC_decoys.pdbqt | data/1W/1W0Y-BGC/1W0Y-BGC_decoy_scores.csv |
1WUN-FUC | data/1W/1WUN-FUC/1WUN-FUC_ligand.pdbqt | data/1W/1WUN-FUC/1WUN-FUC_target.pdbqt | data/1W/1WUN-FUC/1WUN-FUC_decoys.pdbqt | data/1W/1WUN-FUC/1WUN-FUC_decoy_scores.csv |
1WRN-HIS | data/1W/1WRN-HIS/1WRN-HIS_ligand.pdbqt | data/1W/1WRN-HIS/1WRN-HIS_target.pdbqt | data/1W/1WRN-HIS/1WRN-HIS_decoys.pdbqt | data/1W/1WRN-HIS/1WRN-HIS_decoy_scores.csv |
1W76-GNT | data/1W/1W76-GNT/1W76-GNT_ligand.pdbqt | data/1W/1W76-GNT/1W76-GNT_target.pdbqt | data/1W/1W76-GNT/1W76-GNT_decoys.pdbqt | data/1W/1W76-GNT/1W76-GNT_decoy_scores.csv |
1W58-G2P | data/1W/1W58-G2P/1W58-G2P_ligand.pdbqt | data/1W/1W58-G2P/1W58-G2P_target.pdbqt | data/1W/1W58-G2P/1W58-G2P_decoys.pdbqt | data/1W/1W58-G2P/1W58-G2P_decoy_scores.csv |
1W5T-ADP | data/1W/1W5T-ADP/1W5T-ADP_ligand.pdbqt | data/1W/1W5T-ADP/1W5T-ADP_target.pdbqt | data/1W/1W5T-ADP/1W5T-ADP_decoys.pdbqt | data/1W/1W5T-ADP/1W5T-ADP_decoy_scores.csv |
1WCB-PE1 | data/1W/1WCB-PE1/1WCB-PE1_ligand.pdbqt | data/1W/1WCB-PE1/1WCB-PE1_target.pdbqt | data/1W/1WCB-PE1/1WCB-PE1_decoys.pdbqt | data/1W/1WCB-PE1/1WCB-PE1_decoy_scores.csv |
1W1D-4IP | data/1W/1W1D-4IP/1W1D-4IP_ligand.pdbqt | data/1W/1W1D-4IP/1W1D-4IP_target.pdbqt | null | null |
1W8S-FBP | data/1W/1W8S-FBP/1W8S-FBP_ligand.pdbqt | data/1W/1W8S-FBP/1W8S-FBP_target.pdbqt | data/1W/1W8S-FBP/1W8S-FBP_decoys.pdbqt | data/1W/1W8S-FBP/1W8S-FBP_decoy_scores.csv |
1WQV-FUC | data/1W/1WQV-FUC/1WQV-FUC_ligand.pdbqt | data/1W/1WQV-FUC/1WQV-FUC_target.pdbqt | data/1W/1WQV-FUC/1WQV-FUC_decoys.pdbqt | data/1W/1WQV-FUC/1WQV-FUC_decoy_scores.csv |
1WBK-568 | data/1W/1WBK-568/1WBK-568_ligand.pdbqt | data/1W/1WBK-568/1WBK-568_target.pdbqt | data/1W/1WBK-568/1WBK-568_decoys.pdbqt | data/1W/1WBK-568/1WBK-568_decoy_scores.csv |
1WZN-SAH | data/1W/1WZN-SAH/1WZN-SAH_ligand.pdbqt | data/1W/1WZN-SAH/1WZN-SAH_target.pdbqt | data/1W/1WZN-SAH/1WZN-SAH_decoys.pdbqt | data/1W/1WZN-SAH/1WZN-SAH_decoy_scores.csv |
1WCQ-DAN | data/1W/1WCQ-DAN/1WCQ-DAN_ligand.pdbqt | data/1W/1WCQ-DAN/1WCQ-DAN_target.pdbqt | data/1W/1WCQ-DAN/1WCQ-DAN_decoys.pdbqt | data/1W/1WCQ-DAN/1WCQ-DAN_decoy_scores.csv |
1WNO-NDG | data/1W/1WNO-NDG/1WNO-NDG_ligand.pdbqt | data/1W/1WNO-NDG/1WNO-NDG_target.pdbqt | data/1W/1WNO-NDG/1WNO-NDG_decoys.pdbqt | data/1W/1WNO-NDG/1WNO-NDG_decoy_scores.csv |
1WC1-TAT | data/1W/1WC1-TAT/1WC1-TAT_ligand.pdbqt | data/1W/1WC1-TAT/1WC1-TAT_target.pdbqt | data/1W/1WC1-TAT/1WC1-TAT_decoys.pdbqt | data/1W/1WC1-TAT/1WC1-TAT_decoy_scores.csv |
1WMZ-A2G | data/1W/1WMZ-A2G/1WMZ-A2G_ligand.pdbqt | data/1W/1WMZ-A2G/1WMZ-A2G_target.pdbqt | data/1W/1WMZ-A2G/1WMZ-A2G_decoys.pdbqt | data/1W/1WMZ-A2G/1WMZ-A2G_decoy_scores.csv |
1WBE-DKA | data/1W/1WBE-DKA/1WBE-DKA_ligand.pdbqt | data/1W/1WBE-DKA/1WBE-DKA_target.pdbqt | data/1W/1WBE-DKA/1WBE-DKA_decoys.pdbqt | data/1W/1WBE-DKA/1WBE-DKA_decoy_scores.csv |
1WDK-N8E | data/1W/1WDK-N8E/1WDK-N8E_ligand.pdbqt | data/1W/1WDK-N8E/1WDK-N8E_target.pdbqt | data/1W/1WDK-N8E/1WDK-N8E_decoys.pdbqt | data/1W/1WDK-N8E/1WDK-N8E_decoy_scores.csv |
1WXY-FRK | data/1W/1WXY-FRK/1WXY-FRK_ligand.pdbqt | data/1W/1WXY-FRK/1WXY-FRK_target.pdbqt | data/1W/1WXY-FRK/1WXY-FRK_decoys.pdbqt | data/1W/1WXY-FRK/1WXY-FRK_decoy_scores.csv |
1WBN-L09 | data/1W/1WBN-L09/1WBN-L09_ligand.pdbqt | data/1W/1WBN-L09/1WBN-L09_target.pdbqt | data/1W/1WBN-L09/1WBN-L09_decoys.pdbqt | data/1W/1WBN-L09/1WBN-L09_decoy_scores.csv |
1WB4-SXX | data/1W/1WB4-SXX/1WB4-SXX_ligand.pdbqt | data/1W/1WB4-SXX/1WB4-SXX_target.pdbqt | data/1W/1WB4-SXX/1WB4-SXX_decoys.pdbqt | data/1W/1WB4-SXX/1WB4-SXX_decoy_scores.csv |
1W7H-3IP | data/1W/1W7H-3IP/1W7H-3IP_ligand.pdbqt | data/1W/1W7H-3IP/1W7H-3IP_target.pdbqt | data/1W/1W7H-3IP/1W7H-3IP_decoys.pdbqt | data/1W/1W7H-3IP/1W7H-3IP_decoy_scores.csv |
1WS4-GYP | data/1W/1WS4-GYP/1WS4-GYP_ligand.pdbqt | data/1W/1WS4-GYP/1WS4-GYP_target.pdbqt | data/1W/1WS4-GYP/1WS4-GYP_decoys.pdbqt | data/1W/1WS4-GYP/1WS4-GYP_decoy_scores.csv |
1W04-HCG | data/1W/1W04-HCG/1W04-HCG_ligand.pdbqt | data/1W/1W04-HCG/1W04-HCG_target.pdbqt | data/1W/1W04-HCG/1W04-HCG_decoys.pdbqt | data/1W/1W04-HCG/1W04-HCG_decoy_scores.csv |
1W49-APC | data/1W/1W49-APC/1W49-APC_ligand.pdbqt | data/1W/1W49-APC/1W49-APC_target.pdbqt | data/1W/1W49-APC/1W49-APC_decoys.pdbqt | data/1W/1W49-APC/1W49-APC_decoy_scores.csv |
1W4R-TTP | data/1W/1W4R-TTP/1W4R-TTP_ligand.pdbqt | data/1W/1W4R-TTP/1W4R-TTP_target.pdbqt | data/1W/1W4R-TTP/1W4R-TTP_decoys.pdbqt | data/1W/1W4R-TTP/1W4R-TTP_decoy_scores.csv |
1W6S-PQQ | data/1W/1W6S-PQQ/1W6S-PQQ_ligand.pdbqt | data/1W/1W6S-PQQ/1W6S-PQQ_target.pdbqt | data/1W/1W6S-PQQ/1W6S-PQQ_decoys.pdbqt | data/1W/1W6S-PQQ/1W6S-PQQ_decoy_scores.csv |
1WLI-FMN | data/1W/1WLI-FMN/1WLI-FMN_ligand.pdbqt | data/1W/1WLI-FMN/1WLI-FMN_target.pdbqt | data/1W/1WLI-FMN/1WLI-FMN_decoys.pdbqt | data/1W/1WLI-FMN/1WLI-FMN_decoy_scores.csv |
1W47-ADP | data/1W/1W47-ADP/1W47-ADP_ligand.pdbqt | data/1W/1W47-ADP/1W47-ADP_target.pdbqt | data/1W/1W47-ADP/1W47-ADP_decoys.pdbqt | data/1W/1W47-ADP/1W47-ADP_decoy_scores.csv |
1W11-SK1 | data/1W/1W11-SK1/1W11-SK1_ligand.pdbqt | data/1W/1W11-SK1/1W11-SK1_target.pdbqt | data/1W/1W11-SK1/1W11-SK1_decoys.pdbqt | data/1W/1W11-SK1/1W11-SK1_decoy_scores.csv |
1WUW-TSU | data/1W/1WUW-TSU/1WUW-TSU_ligand.pdbqt | data/1W/1WUW-TSU/1WUW-TSU_target.pdbqt | data/1W/1WUW-TSU/1WUW-TSU_decoys.pdbqt | data/1W/1WUW-TSU/1WUW-TSU_decoy_scores.csv |
1W05-W05 | data/1W/1W05-W05/1W05-W05_ligand.pdbqt | data/1W/1W05-W05/1W05-W05_target.pdbqt | data/1W/1W05-W05/1W05-W05_decoys.pdbqt | data/1W/1W05-W05/1W05-W05_decoy_scores.csv |
1W0X-OLO | data/1W/1W0X-OLO/1W0X-OLO_ligand.pdbqt | data/1W/1W0X-OLO/1W0X-OLO_target.pdbqt | data/1W/1W0X-OLO/1W0X-OLO_decoys.pdbqt | data/1W/1W0X-OLO/1W0X-OLO_decoy_scores.csv |
1WUN-BGC | data/1W/1WUN-BGC/1WUN-BGC_ligand.pdbqt | data/1W/1WUN-BGC/1WUN-BGC_target.pdbqt | data/1W/1WUN-BGC/1WUN-BGC_decoys.pdbqt | data/1W/1WUN-BGC/1WUN-BGC_decoy_scores.csv |
1WBG-L03 | data/1W/1WBG-L03/1WBG-L03_ligand.pdbqt | data/1W/1WBG-L03/1WBG-L03_target.pdbqt | data/1W/1WBG-L03/1WBG-L03_decoys.pdbqt | data/1W/1WBG-L03/1WBG-L03_decoy_scores.csv |
1W1V-ALJ | data/1W/1W1V-ALJ/1W1V-ALJ_ligand.pdbqt | data/1W/1W1V-ALJ/1W1V-ALJ_target.pdbqt | data/1W/1W1V-ALJ/1W1V-ALJ_decoys.pdbqt | data/1W/1W1V-ALJ/1W1V-ALJ_decoy_scores.csv |
1W9J-ADP | data/1W/1W9J-ADP/1W9J-ADP_ligand.pdbqt | data/1W/1W9J-ADP/1W9J-ADP_target.pdbqt | null | null |
1WMA-PE5 | data/1W/1WMA-PE5/1WMA-PE5_ligand.pdbqt | data/1W/1WMA-PE5/1WMA-PE5_target.pdbqt | data/1W/1WMA-PE5/1WMA-PE5_decoys.pdbqt | data/1W/1WMA-PE5/1WMA-PE5_decoy_scores.csv |
1W3R-2MN | data/1W/1W3R-2MN/1W3R-2MN_ligand.pdbqt | data/1W/1W3R-2MN/1W3R-2MN_target.pdbqt | data/1W/1W3R-2MN/1W3R-2MN_decoys.pdbqt | data/1W/1W3R-2MN/1W3R-2MN_decoy_scores.csv |
1W0H-AMP | data/1W/1W0H-AMP/1W0H-AMP_ligand.pdbqt | data/1W/1W0H-AMP/1W0H-AMP_target.pdbqt | data/1W/1W0H-AMP/1W0H-AMP_decoys.pdbqt | data/1W/1W0H-AMP/1W0H-AMP_decoy_scores.csv |
1WQ4-TYR | data/1W/1WQ4-TYR/1WQ4-TYR_ligand.pdbqt | data/1W/1WQ4-TYR/1WQ4-TYR_target.pdbqt | data/1W/1WQ4-TYR/1WQ4-TYR_decoys.pdbqt | data/1W/1WQ4-TYR/1WQ4-TYR_decoy_scores.csv |
1W4P-UM3 | data/1W/1W4P-UM3/1W4P-UM3_ligand.pdbqt | data/1W/1W4P-UM3/1W4P-UM3_target.pdbqt | data/1W/1W4P-UM3/1W4P-UM3_decoys.pdbqt | data/1W/1W4P-UM3/1W4P-UM3_decoy_scores.csv |
1W1A-NDG | data/1W/1W1A-NDG/1W1A-NDG_ligand.pdbqt | data/1W/1W1A-NDG/1W1A-NDG_target.pdbqt | data/1W/1W1A-NDG/1W1A-NDG_decoys.pdbqt | data/1W/1W1A-NDG/1W1A-NDG_decoy_scores.csv |
1W8L-1P3 | data/1W/1W8L-1P3/1W8L-1P3_ligand.pdbqt | data/1W/1W8L-1P3/1W8L-1P3_target.pdbqt | data/1W/1W8L-1P3/1W8L-1P3_decoys.pdbqt | data/1W/1W8L-1P3/1W8L-1P3_decoy_scores.csv |
1W5V-BE3 | data/1W/1W5V-BE3/1W5V-BE3_ligand.pdbqt | data/1W/1W5V-BE3/1W5V-BE3_target.pdbqt | data/1W/1W5V-BE3/1W5V-BE3_decoys.pdbqt | data/1W/1W5V-BE3/1W5V-BE3_decoy_scores.csv |
1W2D-4IP | data/1W/1W2D-4IP/1W2D-4IP_ligand.pdbqt | data/1W/1W2D-4IP/1W2D-4IP_target.pdbqt | data/1W/1W2D-4IP/1W2D-4IP_decoys.pdbqt | data/1W/1W2D-4IP/1W2D-4IP_decoy_scores.csv |
1W3Y-XYL | data/1W/1W3Y-XYL/1W3Y-XYL_ligand.pdbqt | data/1W/1W3Y-XYL/1W3Y-XYL_target.pdbqt | data/1W/1W3Y-XYL/1W3Y-XYL_decoys.pdbqt | data/1W/1W3Y-XYL/1W3Y-XYL_decoy_scores.csv |
1WU1-D91 | data/1W/1WU1-D91/1WU1-D91_ligand.pdbqt | data/1W/1WU1-D91/1WU1-D91_target.pdbqt | data/1W/1WU1-D91/1WU1-D91_decoys.pdbqt | data/1W/1WU1-D91/1WU1-D91_decoy_scores.csv |
1WQW-BT5 | data/1W/1WQW-BT5/1WQW-BT5_ligand.pdbqt | data/1W/1WQW-BT5/1WQW-BT5_target.pdbqt | data/1W/1WQW-BT5/1WQW-BT5_decoys.pdbqt | data/1W/1WQW-BT5/1WQW-BT5_decoy_scores.csv |
1W8M-E1P | data/1W/1W8M-E1P/1W8M-E1P_ligand.pdbqt | data/1W/1W8M-E1P/1W8M-E1P_target.pdbqt | data/1W/1W8M-E1P/1W8M-E1P_decoys.pdbqt | data/1W/1W8M-E1P/1W8M-E1P_decoy_scores.csv |
1WXH-NAD | data/1W/1WXH-NAD/1WXH-NAD_ligand.pdbqt | data/1W/1WXH-NAD/1WXH-NAD_target.pdbqt | data/1W/1WXH-NAD/1WXH-NAD_decoys.pdbqt | data/1W/1WXH-NAD/1WXH-NAD_decoy_scores.csv |
1W5A-GTP | data/1W/1W5A-GTP/1W5A-GTP_ligand.pdbqt | data/1W/1W5A-GTP/1W5A-GTP_target.pdbqt | data/1W/1W5A-GTP/1W5A-GTP_decoys.pdbqt | data/1W/1W5A-GTP/1W5A-GTP_decoy_scores.csv |
1W5B-GTP | data/1W/1W5B-GTP/1W5B-GTP_ligand.pdbqt | data/1W/1W5B-GTP/1W5B-GTP_target.pdbqt | data/1W/1W5B-GTP/1W5B-GTP_decoys.pdbqt | data/1W/1W5B-GTP/1W5B-GTP_decoy_scores.csv |
1WZY-F29 | data/1W/1WZY-F29/1WZY-F29_ligand.pdbqt | data/1W/1WZY-F29/1WZY-F29_target.pdbqt | data/1W/1WZY-F29/1WZY-F29_decoys.pdbqt | data/1W/1WZY-F29/1WZY-F29_decoy_scores.csv |
1WBS-LI2 | data/1W/1WBS-LI2/1WBS-LI2_ligand.pdbqt | data/1W/1WBS-LI2/1WBS-LI2_target.pdbqt | data/1W/1WBS-LI2/1WBS-LI2_decoys.pdbqt | data/1W/1WBS-LI2/1WBS-LI2_decoy_scores.csv |
1WBW-LI4 | data/1W/1WBW-LI4/1WBW-LI4_ligand.pdbqt | data/1W/1WBW-LI4/1WBW-LI4_target.pdbqt | data/1W/1WBW-LI4/1WBW-LI4_decoys.pdbqt | data/1W/1WBW-LI4/1WBW-LI4_decoy_scores.csv |
1W7X-413 | data/1W/1W7X-413/1W7X-413_ligand.pdbqt | data/1W/1W7X-413/1W7X-413_target.pdbqt | data/1W/1W7X-413/1W7X-413_decoys.pdbqt | data/1W/1W7X-413/1W7X-413_decoy_scores.csv |
1WNZ-2VA | data/1W/1WNZ-2VA/1WNZ-2VA_ligand.pdbqt | data/1W/1WNZ-2VA/1WNZ-2VA_target.pdbqt | data/1W/1WNZ-2VA/1WNZ-2VA_decoys.pdbqt | data/1W/1WNZ-2VA/1WNZ-2VA_decoy_scores.csv |
1WV0-BN4 | data/1W/1WV0-BN4/1WV0-BN4_ligand.pdbqt | data/1W/1WV0-BN4/1WV0-BN4_target.pdbqt | data/1W/1WV0-BN4/1WV0-BN4_decoys.pdbqt | data/1W/1WV0-BN4/1WV0-BN4_decoy_scores.csv |
1W29-TS1 | data/1W/1W29-TS1/1W29-TS1_ligand.pdbqt | data/1W/1W29-TS1/1W29-TS1_target.pdbqt | data/1W/1W29-TS1/1W29-TS1_decoys.pdbqt | data/1W/1W29-TS1/1W29-TS1_decoy_scores.csv |
1WK9-TSB | data/1W/1WK9-TSB/1WK9-TSB_ligand.pdbqt | data/1W/1WK9-TSB/1WK9-TSB_target.pdbqt | data/1W/1WK9-TSB/1WK9-TSB_decoys.pdbqt | data/1W/1WK9-TSB/1WK9-TSB_decoy_scores.csv |
1WW3-NTF | data/1W/1WW3-NTF/1WW3-NTF_ligand.pdbqt | data/1W/1WW3-NTF/1WW3-NTF_target.pdbqt | data/1W/1WW3-NTF/1WW3-NTF_decoys.pdbqt | data/1W/1WW3-NTF/1WW3-NTF_decoy_scores.csv |
1W84-L12 | data/1W/1W84-L12/1W84-L12_ligand.pdbqt | data/1W/1W84-L12/1W84-L12_target.pdbqt | data/1W/1W84-L12/1W84-L12_decoys.pdbqt | data/1W/1W84-L12/1W84-L12_decoy_scores.csv |
1WB6-VXX | data/1W/1WB6-VXX/1WB6-VXX_ligand.pdbqt | data/1W/1WB6-VXX/1WB6-VXX_target.pdbqt | data/1W/1WB6-VXX/1WB6-VXX_decoys.pdbqt | data/1W/1WB6-VXX/1WB6-VXX_decoy_scores.csv |
1W44-ADP | data/1W/1W44-ADP/1W44-ADP_ligand.pdbqt | data/1W/1W44-ADP/1W44-ADP_target.pdbqt | data/1W/1W44-ADP/1W44-ADP_decoys.pdbqt | data/1W/1W44-ADP/1W44-ADP_decoy_scores.csv |
1WUA-ATP | data/1W/1WUA-ATP/1WUA-ATP_ligand.pdbqt | data/1W/1WUA-ATP/1WUA-ATP_target.pdbqt | data/1W/1WUA-ATP/1WUA-ATP_decoys.pdbqt | data/1W/1WUA-ATP/1WUA-ATP_decoy_scores.csv |
1WLK-FMN | data/1W/1WLK-FMN/1WLK-FMN_ligand.pdbqt | data/1W/1WLK-FMN/1WLK-FMN_target.pdbqt | data/1W/1WLK-FMN/1WLK-FMN_decoys.pdbqt | data/1W/1WLK-FMN/1WLK-FMN_decoy_scores.csv |
1WMZ-NGA | data/1W/1WMZ-NGA/1WMZ-NGA_ligand.pdbqt | data/1W/1WMZ-NGA/1WMZ-NGA_target.pdbqt | data/1W/1WMZ-NGA/1WMZ-NGA_decoys.pdbqt | data/1W/1WMZ-NGA/1WMZ-NGA_decoy_scores.csv |
1WEI-ADE | data/1W/1WEI-ADE/1WEI-ADE_ligand.pdbqt | data/1W/1WEI-ADE/1WEI-ADE_target.pdbqt | data/1W/1WEI-ADE/1WEI-ADE_decoys.pdbqt | data/1W/1WEI-ADE/1WEI-ADE_decoy_scores.csv |
1W55-GPP | data/1W/1W55-GPP/1W55-GPP_ligand.pdbqt | data/1W/1W55-GPP/1W55-GPP_target.pdbqt | data/1W/1W55-GPP/1W55-GPP_decoys.pdbqt | data/1W/1W55-GPP/1W55-GPP_decoy_scores.csv |
1W1P-GIO | data/1W/1W1P-GIO/1W1P-GIO_ligand.pdbqt | data/1W/1W1P-GIO/1W1P-GIO_target.pdbqt | data/1W/1W1P-GIO/1W1P-GIO_decoys.pdbqt | data/1W/1W1P-GIO/1W1P-GIO_decoy_scores.csv |
1WOZ-POG | data/1W/1WOZ-POG/1WOZ-POG_ligand.pdbqt | data/1W/1WOZ-POG/1WOZ-POG_target.pdbqt | data/1W/1WOZ-POG/1WOZ-POG_decoys.pdbqt | data/1W/1WOZ-POG/1WOZ-POG_decoy_scores.csv |
1W0Y-771 | data/1W/1W0Y-771/1W0Y-771_ligand.pdbqt | data/1W/1W0Y-771/1W0Y-771_target.pdbqt | data/1W/1W0Y-771/1W0Y-771_decoys.pdbqt | data/1W/1W0Y-771/1W0Y-771_decoy_scores.csv |
1WS4-AMG | data/1W/1WS4-AMG/1WS4-AMG_ligand.pdbqt | data/1W/1WS4-AMG/1WS4-AMG_target.pdbqt | data/1W/1WS4-AMG/1WS4-AMG_decoys.pdbqt | data/1W/1WS4-AMG/1WS4-AMG_decoy_scores.csv |
1W2D-ADP | data/1W/1W2D-ADP/1W2D-ADP_ligand.pdbqt | data/1W/1W2D-ADP/1W2D-ADP_target.pdbqt | data/1W/1W2D-ADP/1W2D-ADP_decoys.pdbqt | data/1W/1W2D-ADP/1W2D-ADP_decoy_scores.csv |
1WVC-CTP | data/1W/1WVC-CTP/1WVC-CTP_ligand.pdbqt | data/1W/1WVC-CTP/1WVC-CTP_target.pdbqt | data/1W/1WVC-CTP/1WVC-CTP_decoys.pdbqt | data/1W/1WVC-CTP/1WVC-CTP_decoy_scores.csv |
1WTG-3BP | data/1W/1WTG-3BP/1WTG-3BP_ligand.pdbqt | data/1W/1WTG-3BP/1WTG-3BP_target.pdbqt | data/1W/1WTG-3BP/1WTG-3BP_decoys.pdbqt | data/1W/1WTG-3BP/1WTG-3BP_decoy_scores.csv |
1WRI-BEN | data/1W/1WRI-BEN/1WRI-BEN_ligand.pdbqt | data/1W/1WRI-BEN/1WRI-BEN_target.pdbqt | data/1W/1WRI-BEN/1WRI-BEN_decoys.pdbqt | data/1W/1WRI-BEN/1WRI-BEN_decoy_scores.csv |
1W7F-ICT | data/1W/1W7F-ICT/1W7F-ICT_ligand.pdbqt | data/1W/1W7F-ICT/1W7F-ICT_target.pdbqt | data/1W/1W7F-ICT/1W7F-ICT_decoys.pdbqt | data/1W/1W7F-ICT/1W7F-ICT_decoy_scores.csv |
1W3T-RSH | data/1W/1W3T-RSH/1W3T-RSH_ligand.pdbqt | data/1W/1W3T-RSH/1W3T-RSH_target.pdbqt | data/1W/1W3T-RSH/1W3T-RSH_decoys.pdbqt | data/1W/1W3T-RSH/1W3T-RSH_decoy_scores.csv |
1WW2-NBG | data/1W/1WW2-NBG/1WW2-NBG_ligand.pdbqt | data/1W/1WW2-NBG/1WW2-NBG_target.pdbqt | data/1W/1WW2-NBG/1WW2-NBG_decoys.pdbqt | data/1W/1WW2-NBG/1WW2-NBG_decoy_scores.csv |
1WLE-SRP | data/1W/1WLE-SRP/1WLE-SRP_ligand.pdbqt | data/1W/1WLE-SRP/1WLE-SRP_target.pdbqt | data/1W/1WLE-SRP/1WLE-SRP_decoys.pdbqt | data/1W/1WLE-SRP/1WLE-SRP_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.