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 ⌀ |
|---|---|---|---|---|
8CSB-CMK | data/8C/8CSB-CMK/8CSB-CMK_ligand.pdbqt | data/8C/8CSB-CMK/8CSB-CMK_target.pdbqt | data/8C/8CSB-CMK/8CSB-CMK_decoys.pdbqt | data/8C/8CSB-CMK/8CSB-CMK_decoy_scores.csv |
8C3N-RF6 | data/8C/8C3N-RF6/8C3N-RF6_ligand.pdbqt | data/8C/8C3N-RF6/8C3N-RF6_target.pdbqt | data/8C/8C3N-RF6/8C3N-RF6_decoys.pdbqt | data/8C/8C3N-RF6/8C3N-RF6_decoy_scores.csv |
8CVN-SWL | data/8C/8CVN-SWL/8CVN-SWL_ligand.pdbqt | data/8C/8CVN-SWL/8CVN-SWL_target.pdbqt | data/8C/8CVN-SWL/8CVN-SWL_decoys.pdbqt | data/8C/8CVN-SWL/8CVN-SWL_decoy_scores.csv |
8CSC-C5P | data/8C/8CSC-C5P/8CSC-C5P_ligand.pdbqt | data/8C/8CSC-C5P/8CSC-C5P_target.pdbqt | data/8C/8CSC-C5P/8CSC-C5P_decoys.pdbqt | data/8C/8CSC-C5P/8CSC-C5P_decoy_scores.csv |
8CZV-P8C | data/8C/8CZV-P8C/8CZV-P8C_ligand.pdbqt | data/8C/8CZV-P8C/8CZV-P8C_target.pdbqt | data/8C/8CZV-P8C/8CZV-P8C_decoys.pdbqt | data/8C/8CZV-P8C/8CZV-P8C_decoy_scores.csv |
8CT7-L3D | data/8C/8CT7-L3D/8CT7-L3D_ligand.pdbqt | data/8C/8CT7-L3D/8CT7-L3D_target.pdbqt | null | null |
8C7Y-TXV | data/8C/8C7Y-TXV/8C7Y-TXV_ligand.pdbqt | data/8C/8C7Y-TXV/8C7Y-TXV_target.pdbqt | data/8C/8C7Y-TXV/8C7Y-TXV_decoys.pdbqt | data/8C/8C7Y-TXV/8C7Y-TXV_decoy_scores.csv |
8CSD-C5P | data/8C/8CSD-C5P/8CSD-C5P_ligand.pdbqt | data/8C/8CSD-C5P/8CSD-C5P_target.pdbqt | data/8C/8CSD-C5P/8CSD-C5P_decoys.pdbqt | data/8C/8CSD-C5P/8CSD-C5P_decoy_scores.csv |
8CX5-P7U | data/8C/8CX5-P7U/8CX5-P7U_ligand.pdbqt | data/8C/8CX5-P7U/8CX5-P7U_target.pdbqt | data/8C/8CX5-P7U/8CX5-P7U_decoys.pdbqt | data/8C/8CX5-P7U/8CX5-P7U_decoy_scores.csv |
8CRS-HCA | data/8C/8CRS-HCA/8CRS-HCA_ligand.pdbqt | data/8C/8CRS-HCA/8CRS-HCA_target.pdbqt | null | null |
8CD8-AES | data/8C/8CD8-AES/8CD8-AES_ligand.pdbqt | data/8C/8CD8-AES/8CD8-AES_target.pdbqt | data/8C/8CD8-AES/8CD8-AES_decoys.pdbqt | data/8C/8CD8-AES/8CD8-AES_decoy_scores.csv |
8CPA-AGF | data/8C/8CPA-AGF/8CPA-AGF_ligand.pdbqt | data/8C/8CPA-AGF/8CPA-AGF_target.pdbqt | data/8C/8CPA-AGF/8CPA-AGF_decoys.pdbqt | data/8C/8CPA-AGF/8CPA-AGF_decoy_scores.csv |
8C0F-GDP | data/8C/8C0F-GDP/8C0F-GDP_ligand.pdbqt | data/8C/8C0F-GDP/8C0F-GDP_target.pdbqt | data/8C/8C0F-GDP/8C0F-GDP_decoys.pdbqt | data/8C/8C0F-GDP/8C0F-GDP_decoy_scores.csv |
8CU7-OLA | data/8C/8CU7-OLA/8CU7-OLA_ligand.pdbqt | data/8C/8CU7-OLA/8CU7-OLA_target.pdbqt | data/8C/8CU7-OLA/8CU7-OLA_decoys.pdbqt | data/8C/8CU7-OLA/8CU7-OLA_decoy_scores.csv |
8C7W-U0C | data/8C/8C7W-U0C/8C7W-U0C_ligand.pdbqt | data/8C/8C7W-U0C/8C7W-U0C_target.pdbqt | data/8C/8C7W-U0C/8C7W-U0C_decoys.pdbqt | data/8C/8C7W-U0C/8C7W-U0C_decoy_scores.csv |
8CUH-P0I | data/8C/8CUH-P0I/8CUH-P0I_ligand.pdbqt | data/8C/8CUH-P0I/8CUH-P0I_target.pdbqt | data/8C/8CUH-P0I/8CUH-P0I_decoys.pdbqt | data/8C/8CUH-P0I/8CUH-P0I_decoy_scores.csv |
8C0Q-SWU | data/8C/8C0Q-SWU/8C0Q-SWU_ligand.pdbqt | data/8C/8C0Q-SWU/8C0Q-SWU_target.pdbqt | data/8C/8C0Q-SWU/8C0Q-SWU_decoys.pdbqt | data/8C/8C0Q-SWU/8C0Q-SWU_decoy_scores.csv |
8C19-T6B | data/8C/8C19-T6B/8C19-T6B_ligand.pdbqt | data/8C/8C19-T6B/8C19-T6B_target.pdbqt | data/8C/8C19-T6B/8C19-T6B_decoys.pdbqt | data/8C/8C19-T6B/8C19-T6B_decoy_scores.csv |
8CXA-NAD | data/8C/8CXA-NAD/8CXA-NAD_ligand.pdbqt | data/8C/8CXA-NAD/8CXA-NAD_target.pdbqt | data/8C/8CXA-NAD/8CXA-NAD_decoys.pdbqt | data/8C/8CXA-NAD/8CXA-NAD_decoy_scores.csv |
8CZL-GSM | data/8C/8CZL-GSM/8CZL-GSM_ligand.pdbqt | data/8C/8CZL-GSM/8CZL-GSM_target.pdbqt | data/8C/8CZL-GSM/8CZL-GSM_decoys.pdbqt | data/8C/8CZL-GSM/8CZL-GSM_decoy_scores.csv |
8CZT-P8L | data/8C/8CZT-P8L/8CZT-P8L_ligand.pdbqt | data/8C/8CZT-P8L/8CZT-P8L_target.pdbqt | data/8C/8CZT-P8L/8CZT-P8L_decoys.pdbqt | data/8C/8CZT-P8L/8CZT-P8L_decoy_scores.csv |
8CRS-1N7 | data/8C/8CRS-1N7/8CRS-1N7_ligand.pdbqt | data/8C/8CRS-1N7/8CRS-1N7_target.pdbqt | null | null |
8CSC-KDO | data/8C/8CSC-KDO/8CSC-KDO_ligand.pdbqt | data/8C/8CSC-KDO/8CSC-KDO_target.pdbqt | data/8C/8CSC-KDO/8CSC-KDO_decoys.pdbqt | data/8C/8CSC-KDO/8CSC-KDO_decoy_scores.csv |
8CX5-GDP | data/8C/8CX5-GDP/8CX5-GDP_ligand.pdbqt | data/8C/8CX5-GDP/8CX5-GDP_target.pdbqt | data/8C/8CX5-GDP/8CX5-GDP_decoys.pdbqt | data/8C/8CX5-GDP/8CX5-GDP_decoy_scores.csv |
8C0F-SOZ | data/8C/8C0F-SOZ/8C0F-SOZ_ligand.pdbqt | data/8C/8C0F-SOZ/8C0F-SOZ_target.pdbqt | data/8C/8C0F-SOZ/8C0F-SOZ_decoys.pdbqt | data/8C/8C0F-SOZ/8C0F-SOZ_decoy_scores.csv |
8CSX-CLR | data/8C/8CSX-CLR/8CSX-CLR_ligand.pdbqt | data/8C/8CSX-CLR/8CSX-CLR_target.pdbqt | data/8C/8CSX-CLR/8CSX-CLR_decoys.pdbqt | data/8C/8CSX-CLR/8CSX-CLR_decoy_scores.csv |
8CPP-TCM | data/8C/8CPP-TCM/8CPP-TCM_ligand.pdbqt | data/8C/8CPP-TCM/8CPP-TCM_target.pdbqt | data/8C/8CPP-TCM/8CPP-TCM_decoys.pdbqt | data/8C/8CPP-TCM/8CPP-TCM_decoy_scores.csv |
8C77-TXH | data/8C/8C77-TXH/8C77-TXH_ligand.pdbqt | data/8C/8C77-TXH/8C77-TXH_target.pdbqt | data/8C/8C77-TXH/8C77-TXH_decoys.pdbqt | data/8C/8C77-TXH/8C77-TXH_decoy_scores.csv |
8CU7-OLC | data/8C/8CU7-OLC/8CU7-OLC_ligand.pdbqt | data/8C/8CU7-OLC/8CU7-OLC_target.pdbqt | data/8C/8CU7-OLC/8CU7-OLC_decoys.pdbqt | data/8C/8CU7-OLC/8CU7-OLC_decoy_scores.csv |
1WNB-NAI | data/1W/1WNB-NAI/1WNB-NAI_ligand.pdbqt | data/1W/1WNB-NAI/1WNB-NAI_target.pdbqt | data/1W/1WNB-NAI/1WNB-NAI_decoys.pdbqt | data/1W/1WNB-NAI/1WNB-NAI_decoy_scores.csv |
1WQ1-GDP | data/1W/1WQ1-GDP/1WQ1-GDP_ligand.pdbqt | data/1W/1WQ1-GDP/1WQ1-GDP_target.pdbqt | null | null |
1WC0-APC | data/1W/1WC0-APC/1WC0-APC_ligand.pdbqt | data/1W/1WC0-APC/1WC0-APC_target.pdbqt | data/1W/1WC0-APC/1WC0-APC_decoys.pdbqt | data/1W/1WC0-APC/1WC0-APC_decoy_scores.csv |
1WZ1-DNS | data/1W/1WZ1-DNS/1WZ1-DNS_ligand.pdbqt | data/1W/1WZ1-DNS/1WZ1-DNS_target.pdbqt | data/1W/1WZ1-DNS/1WZ1-DNS_decoys.pdbqt | data/1W/1WZ1-DNS/1WZ1-DNS_decoy_scores.csv |
1W6K-LAN | data/1W/1W6K-LAN/1W6K-LAN_ligand.pdbqt | data/1W/1W6K-LAN/1W6K-LAN_target.pdbqt | data/1W/1W6K-LAN/1W6K-LAN_decoys.pdbqt | data/1W/1W6K-LAN/1W6K-LAN_decoy_scores.csv |
1WTC-ACP | data/1W/1WTC-ACP/1WTC-ACP_ligand.pdbqt | data/1W/1WTC-ACP/1WTC-ACP_target.pdbqt | data/1W/1WTC-ACP/1WTC-ACP_decoys.pdbqt | data/1W/1WTC-ACP/1WTC-ACP_decoy_scores.csv |
1W2C-ANP | data/1W/1W2C-ANP/1W2C-ANP_ligand.pdbqt | data/1W/1W2C-ANP/1W2C-ANP_target.pdbqt | data/1W/1W2C-ANP/1W2C-ANP_decoys.pdbqt | data/1W/1W2C-ANP/1W2C-ANP_decoy_scores.csv |
1W48-APC | data/1W/1W48-APC/1W48-APC_ligand.pdbqt | data/1W/1W48-APC/1W48-APC_target.pdbqt | data/1W/1W48-APC/1W48-APC_decoys.pdbqt | data/1W/1W48-APC/1W48-APC_decoy_scores.csv |
1W03-HCG | data/1W/1W03-HCG/1W03-HCG_ligand.pdbqt | data/1W/1W03-HCG/1W03-HCG_target.pdbqt | data/1W/1W03-HCG/1W03-HCG_decoys.pdbqt | data/1W/1W03-HCG/1W03-HCG_decoy_scores.csv |
1WVG-CXY | data/1W/1WVG-CXY/1WVG-CXY_ligand.pdbqt | data/1W/1WVG-CXY/1WVG-CXY_target.pdbqt | data/1W/1WVG-CXY/1WVG-CXY_decoys.pdbqt | data/1W/1WVG-CXY/1WVG-CXY_decoy_scores.csv |
1W29-TS0 | data/1W/1W29-TS0/1W29-TS0_ligand.pdbqt | data/1W/1W29-TS0/1W29-TS0_target.pdbqt | data/1W/1W29-TS0/1W29-TS0_decoys.pdbqt | data/1W/1W29-TS0/1W29-TS0_decoy_scores.csv |
1W3V-MDZ | data/1W/1W3V-MDZ/1W3V-MDZ_ligand.pdbqt | data/1W/1W3V-MDZ/1W3V-MDZ_target.pdbqt | data/1W/1W3V-MDZ/1W3V-MDZ_decoys.pdbqt | data/1W/1W3V-MDZ/1W3V-MDZ_decoy_scores.csv |
1WY7-SAH | data/1W/1WY7-SAH/1WY7-SAH_ligand.pdbqt | data/1W/1WY7-SAH/1WY7-SAH_target.pdbqt | data/1W/1WY7-SAH/1WY7-SAH_decoys.pdbqt | data/1W/1WY7-SAH/1WY7-SAH_decoy_scores.csv |
1WSW-FMN | data/1W/1WSW-FMN/1WSW-FMN_ligand.pdbqt | data/1W/1WSW-FMN/1WSW-FMN_target.pdbqt | data/1W/1WSW-FMN/1WSW-FMN_decoys.pdbqt | data/1W/1WSW-FMN/1WSW-FMN_decoy_scores.csv |
1W6J-C14 | data/1W/1W6J-C14/1W6J-C14_ligand.pdbqt | data/1W/1W6J-C14/1W6J-C14_target.pdbqt | data/1W/1W6J-C14/1W6J-C14_decoys.pdbqt | data/1W/1W6J-C14/1W6J-C14_decoy_scores.csv |
1WDN-GLN | data/1W/1WDN-GLN/1WDN-GLN_ligand.pdbqt | data/1W/1WDN-GLN/1WDN-GLN_target.pdbqt | data/1W/1WDN-GLN/1WDN-GLN_decoys.pdbqt | data/1W/1WDN-GLN/1WDN-GLN_decoy_scores.csv |
1W7J-ADP | data/1W/1W7J-ADP/1W7J-ADP_ligand.pdbqt | data/1W/1W7J-ADP/1W7J-ADP_target.pdbqt | null | null |
1W7K-ADP | data/1W/1W7K-ADP/1W7K-ADP_ligand.pdbqt | data/1W/1W7K-ADP/1W7K-ADP_target.pdbqt | data/1W/1W7K-ADP/1W7K-ADP_decoys.pdbqt | data/1W/1W7K-ADP/1W7K-ADP_decoy_scores.csv |
1WQ3-IYR | data/1W/1WQ3-IYR/1WQ3-IYR_ligand.pdbqt | data/1W/1WQ3-IYR/1WQ3-IYR_target.pdbqt | data/1W/1WQ3-IYR/1WQ3-IYR_decoys.pdbqt | data/1W/1WQ3-IYR/1WQ3-IYR_decoy_scores.csv |
1WC5-APC | data/1W/1WC5-APC/1WC5-APC_ligand.pdbqt | data/1W/1WC5-APC/1WC5-APC_target.pdbqt | data/1W/1WC5-APC/1WC5-APC_decoys.pdbqt | data/1W/1WC5-APC/1WC5-APC_decoy_scores.csv |
1WQV-BGC | data/1W/1WQV-BGC/1WQV-BGC_ligand.pdbqt | data/1W/1WQV-BGC/1WQV-BGC_target.pdbqt | data/1W/1WQV-BGC/1WQV-BGC_decoys.pdbqt | data/1W/1WQV-BGC/1WQV-BGC_decoy_scores.csv |
1W4B-ADP | data/1W/1W4B-ADP/1W4B-ADP_ligand.pdbqt | data/1W/1W4B-ADP/1W4B-ADP_target.pdbqt | data/1W/1W4B-ADP/1W4B-ADP_decoys.pdbqt | data/1W/1W4B-ADP/1W4B-ADP_decoy_scores.csv |
1W2G-THM | data/1W/1W2G-THM/1W2G-THM_ligand.pdbqt | data/1W/1W2G-THM/1W2G-THM_target.pdbqt | data/1W/1W2G-THM/1W2G-THM_decoys.pdbqt | data/1W/1W2G-THM/1W2G-THM_decoy_scores.csv |
1W0Z-SI1 | data/1W/1W0Z-SI1/1W0Z-SI1_ligand.pdbqt | data/1W/1W0Z-SI1/1W0Z-SI1_target.pdbqt | data/1W/1W0Z-SI1/1W0Z-SI1_decoys.pdbqt | data/1W/1W0Z-SI1/1W0Z-SI1_decoy_scores.csv |
1WAX-LO1 | data/1W/1WAX-LO1/1WAX-LO1_ligand.pdbqt | data/1W/1WAX-LO1/1WAX-LO1_target.pdbqt | data/1W/1WAX-LO1/1WAX-LO1_decoys.pdbqt | data/1W/1WAX-LO1/1WAX-LO1_decoy_scores.csv |
1WUU-GLA | data/1W/1WUU-GLA/1WUU-GLA_ligand.pdbqt | data/1W/1WUU-GLA/1WUU-GLA_target.pdbqt | data/1W/1WUU-GLA/1WUU-GLA_decoys.pdbqt | data/1W/1WUU-GLA/1WUU-GLA_decoy_scores.csv |
1WPV-HIS | data/1W/1WPV-HIS/1WPV-HIS_ligand.pdbqt | data/1W/1WPV-HIS/1WPV-HIS_target.pdbqt | data/1W/1WPV-HIS/1WPV-HIS_decoys.pdbqt | data/1W/1WPV-HIS/1WPV-HIS_decoy_scores.csv |
1WE2-DHK | data/1W/1WE2-DHK/1WE2-DHK_ligand.pdbqt | data/1W/1WE2-DHK/1WE2-DHK_target.pdbqt | data/1W/1WE2-DHK/1WE2-DHK_decoys.pdbqt | data/1W/1WE2-DHK/1WE2-DHK_decoy_scores.csv |
1W3C-DN2 | data/1W/1W3C-DN2/1W3C-DN2_ligand.pdbqt | data/1W/1W3C-DN2/1W3C-DN2_target.pdbqt | data/1W/1W3C-DN2/1W3C-DN2_decoys.pdbqt | data/1W/1W3C-DN2/1W3C-DN2_decoy_scores.csv |
1WBT-WBT | data/1W/1WBT-WBT/1WBT-WBT_ligand.pdbqt | data/1W/1WBT-WBT/1WBT-WBT_target.pdbqt | data/1W/1WBT-WBT/1WBT-WBT_decoys.pdbqt | data/1W/1WBT-WBT/1WBT-WBT_decoy_scores.csv |
1W9K-ADP | data/1W/1W9K-ADP/1W9K-ADP_ligand.pdbqt | data/1W/1W9K-ADP/1W9K-ADP_target.pdbqt | null | null |
1W0O-SIA | data/1W/1W0O-SIA/1W0O-SIA_ligand.pdbqt | data/1W/1W0O-SIA/1W0O-SIA_target.pdbqt | data/1W/1W0O-SIA/1W0O-SIA_decoys.pdbqt | data/1W/1W0O-SIA/1W0O-SIA_decoy_scores.csv |
1WRO-HIS | data/1W/1WRO-HIS/1WRO-HIS_ligand.pdbqt | data/1W/1WRO-HIS/1WRO-HIS_target.pdbqt | null | null |
1W3N-SSH | data/1W/1W3N-SSH/1W3N-SSH_ligand.pdbqt | data/1W/1W3N-SSH/1W3N-SSH_target.pdbqt | data/1W/1W3N-SSH/1W3N-SSH_decoys.pdbqt | data/1W/1W3N-SSH/1W3N-SSH_decoy_scores.csv |
1W3J-OXZ | data/1W/1W3J-OXZ/1W3J-OXZ_ligand.pdbqt | data/1W/1W3J-OXZ/1W3J-OXZ_target.pdbqt | data/1W/1W3J-OXZ/1W3J-OXZ_decoys.pdbqt | data/1W/1W3J-OXZ/1W3J-OXZ_decoy_scores.csv |
1WS5-MMA | data/1W/1WS5-MMA/1WS5-MMA_ligand.pdbqt | data/1W/1WS5-MMA/1WS5-MMA_target.pdbqt | data/1W/1WS5-MMA/1WS5-MMA_decoys.pdbqt | data/1W/1WS5-MMA/1WS5-MMA_decoy_scores.csv |
1WOP-FFO | data/1W/1WOP-FFO/1WOP-FFO_ligand.pdbqt | data/1W/1WOP-FFO/1WOP-FFO_target.pdbqt | data/1W/1WOP-FFO/1WOP-FFO_decoys.pdbqt | data/1W/1WOP-FFO/1WOP-FFO_decoy_scores.csv |
1WOF-I12 | data/1W/1WOF-I12/1WOF-I12_ligand.pdbqt | data/1W/1WOF-I12/1WOF-I12_target.pdbqt | data/1W/1WOF-I12/1WOF-I12_decoys.pdbqt | data/1W/1WOF-I12/1WOF-I12_decoy_scores.csv |
1W14-SH1 | data/1W/1W14-SH1/1W14-SH1_ligand.pdbqt | data/1W/1W14-SH1/1W14-SH1_target.pdbqt | data/1W/1W14-SH1/1W14-SH1_decoys.pdbqt | data/1W/1W14-SH1/1W14-SH1_decoy_scores.csv |
1WPQ-NAD | data/1W/1WPQ-NAD/1WPQ-NAD_ligand.pdbqt | data/1W/1WPQ-NAD/1WPQ-NAD_target.pdbqt | data/1W/1WPQ-NAD/1WPQ-NAD_decoys.pdbqt | data/1W/1WPQ-NAD/1WPQ-NAD_decoy_scores.csv |
1W7R-FLC | data/1W/1W7R-FLC/1W7R-FLC_ligand.pdbqt | data/1W/1W7R-FLC/1W7R-FLC_target.pdbqt | data/1W/1W7R-FLC/1W7R-FLC_decoys.pdbqt | data/1W/1W7R-FLC/1W7R-FLC_decoy_scores.csv |
1W83-L11 | data/1W/1W83-L11/1W83-L11_ligand.pdbqt | data/1W/1W83-L11/1W83-L11_target.pdbqt | data/1W/1W83-L11/1W83-L11_decoys.pdbqt | data/1W/1W83-L11/1W83-L11_decoy_scores.csv |
1W0Y-FUC | data/1W/1W0Y-FUC/1W0Y-FUC_ligand.pdbqt | data/1W/1W0Y-FUC/1W0Y-FUC_target.pdbqt | data/1W/1W0Y-FUC/1W0Y-FUC_decoys.pdbqt | data/1W/1W0Y-FUC/1W0Y-FUC_decoy_scores.csv |
1WRR-UNC | data/1W/1WRR-UNC/1WRR-UNC_ligand.pdbqt | data/1W/1WRR-UNC/1WRR-UNC_target.pdbqt | data/1W/1WRR-UNC/1WRR-UNC_decoys.pdbqt | data/1W/1WRR-UNC/1WRR-UNC_decoy_scores.csv |
1W19-T4P | data/1W/1W19-T4P/1W19-T4P_ligand.pdbqt | data/1W/1W19-T4P/1W19-T4P_target.pdbqt | data/1W/1W19-T4P/1W19-T4P_decoys.pdbqt | data/1W/1W19-T4P/1W19-T4P_decoy_scores.csv |
1W0P-SIA | data/1W/1W0P-SIA/1W0P-SIA_ligand.pdbqt | data/1W/1W0P-SIA/1W0P-SIA_target.pdbqt | data/1W/1W0P-SIA/1W0P-SIA_decoys.pdbqt | data/1W/1W0P-SIA/1W0P-SIA_decoy_scores.csv |
1WF3-GNP | data/1W/1WF3-GNP/1WF3-GNP_ligand.pdbqt | data/1W/1WF3-GNP/1WF3-GNP_target.pdbqt | data/1W/1WF3-GNP/1WF3-GNP_decoys.pdbqt | data/1W/1WF3-GNP/1WF3-GNP_decoy_scores.csv |
1W4O-UA3 | data/1W/1W4O-UA3/1W4O-UA3_ligand.pdbqt | data/1W/1W4O-UA3/1W4O-UA3_target.pdbqt | data/1W/1W4O-UA3/1W4O-UA3_decoys.pdbqt | data/1W/1W4O-UA3/1W4O-UA3_decoy_scores.csv |
1WE2-ADP | data/1W/1WE2-ADP/1WE2-ADP_ligand.pdbqt | data/1W/1WE2-ADP/1WE2-ADP_target.pdbqt | data/1W/1WE2-ADP/1WE2-ADP_decoys.pdbqt | data/1W/1WE2-ADP/1WE2-ADP_decoy_scores.csv |
1WUY-BN3 | data/1W/1WUY-BN3/1WUY-BN3_ligand.pdbqt | data/1W/1WUY-BN3/1WUY-BN3_target.pdbqt | data/1W/1WUY-BN3/1WUY-BN3_decoys.pdbqt | data/1W/1WUY-BN3/1WUY-BN3_decoy_scores.csv |
1WB8-PMS | data/1W/1WB8-PMS/1WB8-PMS_ligand.pdbqt | data/1W/1WB8-PMS/1WB8-PMS_target.pdbqt | data/1W/1WB8-PMS/1WB8-PMS_decoys.pdbqt | data/1W/1WB8-PMS/1WB8-PMS_decoy_scores.csv |
1WBJ-G3P | data/1W/1WBJ-G3P/1WBJ-G3P_ligand.pdbqt | data/1W/1WBJ-G3P/1WBJ-G3P_target.pdbqt | data/1W/1WBJ-G3P/1WBJ-G3P_decoys.pdbqt | data/1W/1WBJ-G3P/1WBJ-G3P_decoy_scores.csv |
1W0O-DAN | data/1W/1W0O-DAN/1W0O-DAN_ligand.pdbqt | data/1W/1W0O-DAN/1W0O-DAN_target.pdbqt | data/1W/1W0O-DAN/1W0O-DAN_decoys.pdbqt | data/1W/1W0O-DAN/1W0O-DAN_decoy_scores.csv |
1WUR-8DG | data/1W/1WUR-8DG/1WUR-8DG_ligand.pdbqt | data/1W/1WUR-8DG/1WUR-8DG_target.pdbqt | data/1W/1WUR-8DG/1WUR-8DG_decoys.pdbqt | data/1W/1WUR-8DG/1WUR-8DG_decoy_scores.csv |
1W55-C | data/1W/1W55-C/1W55-C_ligand.pdbqt | data/1W/1W55-C/1W55-C_target.pdbqt | data/1W/1W55-C/1W55-C_decoys.pdbqt | data/1W/1W55-C/1W55-C_decoy_scores.csv |
1WPG-TG1 | data/1W/1WPG-TG1/1WPG-TG1_ligand.pdbqt | data/1W/1WPG-TG1/1WPG-TG1_target.pdbqt | data/1W/1WPG-TG1/1WPG-TG1_decoys.pdbqt | data/1W/1WPG-TG1/1WPG-TG1_decoy_scores.csv |
1W4Q-UMF | data/1W/1W4Q-UMF/1W4Q-UMF_ligand.pdbqt | data/1W/1W4Q-UMF/1W4Q-UMF_target.pdbqt | data/1W/1W4Q-UMF/1W4Q-UMF_decoys.pdbqt | data/1W/1W4Q-UMF/1W4Q-UMF_decoy_scores.csv |
1WNG-SAH | data/1W/1WNG-SAH/1WNG-SAH_ligand.pdbqt | data/1W/1WNG-SAH/1WNG-SAH_target.pdbqt | data/1W/1WNG-SAH/1WNG-SAH_decoys.pdbqt | data/1W/1WNG-SAH/1WNG-SAH_decoy_scores.csv |
1WBV-LI3 | data/1W/1WBV-LI3/1WBV-LI3_ligand.pdbqt | data/1W/1WBV-LI3/1WBV-LI3_target.pdbqt | data/1W/1WBV-LI3/1WBV-LI3_decoys.pdbqt | data/1W/1WBV-LI3/1WBV-LI3_decoy_scores.csv |
1W19-T2P | data/1W/1W19-T2P/1W19-T2P_ligand.pdbqt | data/1W/1W19-T2P/1W19-T2P_target.pdbqt | data/1W/1W19-T2P/1W19-T2P_decoys.pdbqt | data/1W/1W19-T2P/1W19-T2P_decoy_scores.csv |
1WLJ-U5P | data/1W/1WLJ-U5P/1WLJ-U5P_ligand.pdbqt | data/1W/1WLJ-U5P/1WLJ-U5P_target.pdbqt | data/1W/1WLJ-U5P/1WLJ-U5P_decoys.pdbqt | data/1W/1WLJ-U5P/1WLJ-U5P_decoy_scores.csv |
1WG8-SAM | data/1W/1WG8-SAM/1WG8-SAM_ligand.pdbqt | data/1W/1WG8-SAM/1WG8-SAM_target.pdbqt | data/1W/1WG8-SAM/1WG8-SAM_decoys.pdbqt | data/1W/1WG8-SAM/1WG8-SAM_decoy_scores.csv |
1WOQ-BGC | data/1W/1WOQ-BGC/1WOQ-BGC_ligand.pdbqt | data/1W/1WOQ-BGC/1WOQ-BGC_target.pdbqt | data/1W/1WOQ-BGC/1WOQ-BGC_decoys.pdbqt | data/1W/1WOQ-BGC/1WOQ-BGC_decoy_scores.csv |
1WKH-PPE | data/1W/1WKH-PPE/1WKH-PPE_ligand.pdbqt | data/1W/1WKH-PPE/1WKH-PPE_target.pdbqt | data/1W/1WKH-PPE/1WKH-PPE_decoys.pdbqt | data/1W/1WKH-PPE/1WKH-PPE_decoy_scores.csv |
1W5F-G2P | data/1W/1W5F-G2P/1W5F-G2P_ligand.pdbqt | data/1W/1W5F-G2P/1W5F-G2P_target.pdbqt | data/1W/1W5F-G2P/1W5F-G2P_decoys.pdbqt | data/1W/1W5F-G2P/1W5F-G2P_decoy_scores.csv |
1WKL-ADP | data/1W/1WKL-ADP/1WKL-ADP_ligand.pdbqt | data/1W/1WKL-ADP/1WKL-ADP_target.pdbqt | data/1W/1WKL-ADP/1WKL-ADP_decoys.pdbqt | data/1W/1WKL-ADP/1WKL-ADP_decoy_scores.csv |
1WUT-BN2 | data/1W/1WUT-BN2/1WUT-BN2_ligand.pdbqt | data/1W/1WUT-BN2/1WUT-BN2_target.pdbqt | data/1W/1WUT-BN2/1WUT-BN2_decoys.pdbqt | data/1W/1WUT-BN2/1WUT-BN2_decoy_scores.csv |
1WOO-THG | data/1W/1WOO-THG/1WOO-THG_ligand.pdbqt | data/1W/1WOO-THG/1WOO-THG_target.pdbqt | data/1W/1WOO-THG/1WOO-THG_decoys.pdbqt | data/1W/1WOO-THG/1WOO-THG_decoy_scores.csv |
1W13-SM1 | data/1W/1W13-SM1/1W13-SM1_ligand.pdbqt | data/1W/1W13-SM1/1W13-SM1_target.pdbqt | data/1W/1W13-SM1/1W13-SM1_decoys.pdbqt | data/1W/1W13-SM1/1W13-SM1_decoy_scores.csv |
1W3M-LNG | data/1W/1W3M-LNG/1W3M-LNG_ligand.pdbqt | data/1W/1W3M-LNG/1W3M-LNG_target.pdbqt | data/1W/1W3M-LNG/1W3M-LNG_decoys.pdbqt | data/1W/1W3M-LNG/1W3M-LNG_decoy_scores.csv |
1WUU-ANP | data/1W/1WUU-ANP/1WUU-ANP_ligand.pdbqt | data/1W/1WUU-ANP/1WUU-ANP_target.pdbqt | data/1W/1WUU-ANP/1WUU-ANP_decoys.pdbqt | data/1W/1WUU-ANP/1WUU-ANP_decoy_scores.csv |
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