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 ⌀ |
|---|---|---|---|---|
1DOD-DOB | data/1D/1DOD-DOB/1DOD-DOB_ligand.pdbqt | data/1D/1DOD-DOB/1DOD-DOB_target.pdbqt | data/1D/1DOD-DOB/1DOD-DOB_decoys.pdbqt | data/1D/1DOD-DOB/1DOD-DOB_decoy_scores.csv |
1D8M-BBH | data/1D/1D8M-BBH/1D8M-BBH_ligand.pdbqt | data/1D/1D8M-BBH/1D8M-BBH_target.pdbqt | data/1D/1D8M-BBH/1D8M-BBH_decoys.pdbqt | data/1D/1D8M-BBH/1D8M-BBH_decoy_scores.csv |
1DJ9-KAM | data/1D/1DJ9-KAM/1DJ9-KAM_ligand.pdbqt | data/1D/1DJ9-KAM/1DJ9-KAM_target.pdbqt | data/1D/1DJ9-KAM/1DJ9-KAM_decoys.pdbqt | data/1D/1DJ9-KAM/1DJ9-KAM_decoy_scores.csv |
1DD7-1PM | data/1D/1DD7-1PM/1DD7-1PM_ligand.pdbqt | data/1D/1DD7-1PM/1DD7-1PM_target.pdbqt | data/1D/1DD7-1PM/1DD7-1PM_decoys.pdbqt | data/1D/1DD7-1PM/1DD7-1PM_decoy_scores.csv |
1DWV-HAR | data/1D/1DWV-HAR/1DWV-HAR_ligand.pdbqt | data/1D/1DWV-HAR/1DWV-HAR_target.pdbqt | data/1D/1DWV-HAR/1DWV-HAR_decoys.pdbqt | data/1D/1DWV-HAR/1DWV-HAR_decoy_scores.csv |
1DRT-PCV | data/1D/1DRT-PCV/1DRT-PCV_ligand.pdbqt | data/1D/1DRT-PCV/1DRT-PCV_target.pdbqt | data/1D/1DRT-PCV/1DRT-PCV_decoys.pdbqt | data/1D/1DRT-PCV/1DRT-PCV_decoy_scores.csv |
1DM8-H4B | data/1D/1DM8-H4B/1DM8-H4B_ligand.pdbqt | data/1D/1DM8-H4B/1DM8-H4B_target.pdbqt | data/1D/1DM8-H4B/1DM8-H4B_decoys.pdbqt | data/1D/1DM8-H4B/1DM8-H4B_decoy_scores.csv |
1D4L-PI9 | data/1D/1D4L-PI9/1D4L-PI9_ligand.pdbqt | data/1D/1D4L-PI9/1D4L-PI9_target.pdbqt | data/1D/1D4L-PI9/1D4L-PI9_decoys.pdbqt | data/1D/1D4L-PI9/1D4L-PI9_decoy_scores.csv |
1DAN-0Z6 | data/1D/1DAN-0Z6/1DAN-0Z6_ligand.pdbqt | data/1D/1DAN-0Z6/1DAN-0Z6_target.pdbqt | data/1D/1DAN-0Z6/1DAN-0Z6_decoys.pdbqt | data/1D/1DAN-0Z6/1DAN-0Z6_decoy_scores.csv |
1DS8-LDA | data/1D/1DS8-LDA/1DS8-LDA_ligand.pdbqt | data/1D/1DS8-LDA/1DS8-LDA_target.pdbqt | data/1D/1DS8-LDA/1DS8-LDA_decoys.pdbqt | data/1D/1DS8-LDA/1DS8-LDA_decoy_scores.csv |
1DAN-FUC | data/1D/1DAN-FUC/1DAN-FUC_ligand.pdbqt | data/1D/1DAN-FUC/1DAN-FUC_target.pdbqt | data/1D/1DAN-FUC/1DAN-FUC_decoys.pdbqt | data/1D/1DAN-FUC/1DAN-FUC_decoy_scores.csv |
1DLI-UDX | data/1D/1DLI-UDX/1DLI-UDX_ligand.pdbqt | data/1D/1DLI-UDX/1DLI-UDX_target.pdbqt | data/1D/1DLI-UDX/1DLI-UDX_decoys.pdbqt | data/1D/1DLI-UDX/1DLI-UDX_decoy_scores.csv |
1DAF-ADP | data/1D/1DAF-ADP/1DAF-ADP_ligand.pdbqt | data/1D/1DAF-ADP/1DAF-ADP_target.pdbqt | data/1D/1DAF-ADP/1DAF-ADP_decoys.pdbqt | data/1D/1DAF-ADP/1DAF-ADP_decoy_scores.csv |
1D1Q-4NP | data/1D/1D1Q-4NP/1D1Q-4NP_ligand.pdbqt | data/1D/1D1Q-4NP/1D1Q-4NP_target.pdbqt | data/1D/1D1Q-4NP/1D1Q-4NP_decoys.pdbqt | data/1D/1D1Q-4NP/1D1Q-4NP_decoy_scores.csv |
1DQS-CRB | data/1D/1DQS-CRB/1DQS-CRB_ligand.pdbqt | data/1D/1DQS-CRB/1DQS-CRB_target.pdbqt | data/1D/1DQS-CRB/1DQS-CRB_decoys.pdbqt | data/1D/1DQS-CRB/1DQS-CRB_decoy_scores.csv |
1DEJ-ATP | data/1D/1DEJ-ATP/1DEJ-ATP_ligand.pdbqt | data/1D/1DEJ-ATP/1DEJ-ATP_target.pdbqt | data/1D/1DEJ-ATP/1DEJ-ATP_decoys.pdbqt | data/1D/1DEJ-ATP/1DEJ-ATP_decoy_scores.csv |
1DYR-TOP | data/1D/1DYR-TOP/1DYR-TOP_ligand.pdbqt | data/1D/1DYR-TOP/1DYR-TOP_target.pdbqt | data/1D/1DYR-TOP/1DYR-TOP_decoys.pdbqt | data/1D/1DYR-TOP/1DYR-TOP_decoy_scores.csv |
1DRB-MTX | data/1D/1DRB-MTX/1DRB-MTX_ligand.pdbqt | data/1D/1DRB-MTX/1DRB-MTX_target.pdbqt | data/1D/1DRB-MTX/1DRB-MTX_decoys.pdbqt | data/1D/1DRB-MTX/1DRB-MTX_decoy_scores.csv |
1DWV-4AB | data/1D/1DWV-4AB/1DWV-4AB_ligand.pdbqt | data/1D/1DWV-4AB/1DWV-4AB_target.pdbqt | data/1D/1DWV-4AB/1DWV-4AB_decoys.pdbqt | data/1D/1DWV-4AB/1DWV-4AB_decoy_scores.csv |
1D2S-DHT | data/1D/1D2S-DHT/1D2S-DHT_ligand.pdbqt | data/1D/1D2S-DHT/1D2S-DHT_target.pdbqt | data/1D/1D2S-DHT/1D2S-DHT_decoys.pdbqt | data/1D/1D2S-DHT/1D2S-DHT_decoy_scores.csv |
1DUV-PSQ | data/1D/1DUV-PSQ/1DUV-PSQ_ligand.pdbqt | data/1D/1DUV-PSQ/1DUV-PSQ_target.pdbqt | data/1D/1DUV-PSQ/1DUV-PSQ_decoys.pdbqt | data/1D/1DUV-PSQ/1DUV-PSQ_decoy_scores.csv |
1DJN-FMN | data/1D/1DJN-FMN/1DJN-FMN_ligand.pdbqt | data/1D/1DJN-FMN/1DJN-FMN_target.pdbqt | data/1D/1DJN-FMN/1DJN-FMN_decoys.pdbqt | data/1D/1DJN-FMN/1DJN-FMN_decoy_scores.csv |
1D1J-PG6 | data/1D/1D1J-PG6/1D1J-PG6_ligand.pdbqt | data/1D/1D1J-PG6/1D1J-PG6_target.pdbqt | data/1D/1D1J-PG6/1D1J-PG6_decoys.pdbqt | data/1D/1D1J-PG6/1D1J-PG6_decoy_scores.csv |
1DJX-I3P | data/1D/1DJX-I3P/1DJX-I3P_ligand.pdbqt | data/1D/1DJX-I3P/1DJX-I3P_target.pdbqt | data/1D/1DJX-I3P/1DJX-I3P_decoys.pdbqt | data/1D/1DJX-I3P/1DJX-I3P_decoy_scores.csv |
1DKF-BMS | data/1D/1DKF-BMS/1DKF-BMS_ligand.pdbqt | data/1D/1DKF-BMS/1DKF-BMS_target.pdbqt | data/1D/1DKF-BMS/1DKF-BMS_decoys.pdbqt | data/1D/1DKF-BMS/1DKF-BMS_decoy_scores.csv |
1DIE-NOJ | data/1D/1DIE-NOJ/1DIE-NOJ_ligand.pdbqt | data/1D/1DIE-NOJ/1DIE-NOJ_target.pdbqt | data/1D/1DIE-NOJ/1DIE-NOJ_decoys.pdbqt | data/1D/1DIE-NOJ/1DIE-NOJ_decoy_scores.csv |
1DZT-ATY | data/1D/1DZT-ATY/1DZT-ATY_ligand.pdbqt | data/1D/1DZT-ATY/1DZT-ATY_target.pdbqt | data/1D/1DZT-ATY/1DZT-ATY_decoys.pdbqt | data/1D/1DZT-ATY/1DZT-ATY_decoy_scores.csv |
1D4K-PI8 | data/1D/1D4K-PI8/1D4K-PI8_ligand.pdbqt | data/1D/1D4K-PI8/1D4K-PI8_target.pdbqt | data/1D/1D4K-PI8/1D4K-PI8_decoys.pdbqt | data/1D/1D4K-PI8/1D4K-PI8_decoy_scores.csv |
1DLS-MTX | data/1D/1DLS-MTX/1DLS-MTX_ligand.pdbqt | data/1D/1DLS-MTX/1DLS-MTX_target.pdbqt | data/1D/1DLS-MTX/1DLS-MTX_decoys.pdbqt | data/1D/1DLS-MTX/1DLS-MTX_decoy_scores.csv |
1DDS-MTX | data/1D/1DDS-MTX/1DDS-MTX_ligand.pdbqt | data/1D/1DDS-MTX/1DDS-MTX_target.pdbqt | data/1D/1DDS-MTX/1DDS-MTX_decoys.pdbqt | data/1D/1DDS-MTX/1DDS-MTX_decoy_scores.csv |
1D0S-DMD | data/1D/1D0S-DMD/1D0S-DMD_ligand.pdbqt | data/1D/1D0S-DMD/1D0S-DMD_target.pdbqt | data/1D/1D0S-DMD/1D0S-DMD_decoys.pdbqt | data/1D/1D0S-DMD/1D0S-DMD_decoy_scores.csv |
1DR4-HBI | data/1D/1DR4-HBI/1DR4-HBI_ligand.pdbqt | data/1D/1DR4-HBI/1DR4-HBI_target.pdbqt | data/1D/1DR4-HBI/1DR4-HBI_decoys.pdbqt | data/1D/1DR4-HBI/1DR4-HBI_decoy_scores.csv |
1D04-FMN | data/1D/1D04-FMN/1D04-FMN_ligand.pdbqt | data/1D/1D04-FMN/1D04-FMN_target.pdbqt | data/1D/1D04-FMN/1D04-FMN_decoys.pdbqt | data/1D/1D04-FMN/1D04-FMN_decoy_scores.csv |
1DKU-ABM | data/1D/1DKU-ABM/1DKU-ABM_ligand.pdbqt | data/1D/1DKU-ABM/1DKU-ABM_target.pdbqt | data/1D/1DKU-ABM/1DKU-ABM_decoys.pdbqt | data/1D/1DKU-ABM/1DKU-ABM_decoy_scores.csv |
1DM7-HRG | data/1D/1DM7-HRG/1DM7-HRG_ligand.pdbqt | data/1D/1DM7-HRG/1DM7-HRG_target.pdbqt | data/1D/1DM7-HRG/1DM7-HRG_decoys.pdbqt | data/1D/1DM7-HRG/1DM7-HRG_decoy_scores.csv |
1D3G-BRE | data/1D/1D3G-BRE/1D3G-BRE_ligand.pdbqt | data/1D/1D3G-BRE/1D3G-BRE_target.pdbqt | data/1D/1D3G-BRE/1D3G-BRE_decoys.pdbqt | data/1D/1D3G-BRE/1D3G-BRE_decoy_scores.csv |
1D1J-PG5 | data/1D/1D1J-PG5/1D1J-PG5_ligand.pdbqt | data/1D/1D1J-PG5/1D1J-PG5_target.pdbqt | data/1D/1D1J-PG5/1D1J-PG5_decoys.pdbqt | data/1D/1D1J-PG5/1D1J-PG5_decoy_scores.csv |
1DMY-AZM | data/1D/1DMY-AZM/1DMY-AZM_ligand.pdbqt | data/1D/1DMY-AZM/1DMY-AZM_target.pdbqt | data/1D/1DMY-AZM/1DMY-AZM_decoys.pdbqt | data/1D/1DMY-AZM/1DMY-AZM_decoy_scores.csv |
1D3G-FMN | data/1D/1D3G-FMN/1D3G-FMN_ligand.pdbqt | data/1D/1D3G-FMN/1D3G-FMN_target.pdbqt | data/1D/1D3G-FMN/1D3G-FMN_decoys.pdbqt | data/1D/1D3G-FMN/1D3G-FMN_decoy_scores.csv |
1DMA-AMP | data/1D/1DMA-AMP/1DMA-AMP_ligand.pdbqt | data/1D/1DMA-AMP/1DMA-AMP_target.pdbqt | data/1D/1DMA-AMP/1DMA-AMP_decoys.pdbqt | data/1D/1DMA-AMP/1DMA-AMP_decoy_scores.csv |
1DJP-DO2 | data/1D/1DJP-DO2/1DJP-DO2_ligand.pdbqt | data/1D/1DJP-DO2/1DJP-DO2_target.pdbqt | data/1D/1DJP-DO2/1DJP-DO2_decoys.pdbqt | data/1D/1DJP-DO2/1DJP-DO2_decoy_scores.csv |
1DQA-MAH | data/1D/1DQA-MAH/1DQA-MAH_ligand.pdbqt | data/1D/1DQA-MAH/1DQA-MAH_target.pdbqt | data/1D/1DQA-MAH/1DQA-MAH_decoys.pdbqt | data/1D/1DQA-MAH/1DQA-MAH_decoy_scores.csv |
1D0H-A2G | data/1D/1D0H-A2G/1D0H-A2G_ligand.pdbqt | data/1D/1D0H-A2G/1D0H-A2G_target.pdbqt | data/1D/1D0H-A2G/1D0H-A2G_decoys.pdbqt | data/1D/1D0H-A2G/1D0H-A2G_decoy_scores.csv |
1DVR-ATF | data/1D/1DVR-ATF/1DVR-ATF_ligand.pdbqt | data/1D/1DVR-ATF/1DVR-ATF_target.pdbqt | data/1D/1DVR-ATF/1DVR-ATF_decoys.pdbqt | data/1D/1DVR-ATF/1DVR-ATF_decoy_scores.csv |
1DHJ-MTX | data/1D/1DHJ-MTX/1DHJ-MTX_ligand.pdbqt | data/1D/1DHJ-MTX/1DHJ-MTX_target.pdbqt | data/1D/1DHJ-MTX/1DHJ-MTX_decoys.pdbqt | data/1D/1DHJ-MTX/1DHJ-MTX_decoy_scores.csv |
1DS7-FMN | data/1D/1DS7-FMN/1DS7-FMN_ligand.pdbqt | data/1D/1DS7-FMN/1DS7-FMN_target.pdbqt | data/1D/1DS7-FMN/1DS7-FMN_decoys.pdbqt | data/1D/1DS7-FMN/1DS7-FMN_decoy_scores.csv |
1DIC-DIC | data/1D/1DIC-DIC/1DIC-DIC_ligand.pdbqt | data/1D/1DIC-DIC/1DIC-DIC_target.pdbqt | data/1D/1DIC-DIC/1DIC-DIC_decoys.pdbqt | data/1D/1DIC-DIC/1DIC-DIC_decoy_scores.csv |
1DCP-HBI | data/1D/1DCP-HBI/1DCP-HBI_ligand.pdbqt | data/1D/1DCP-HBI/1DCP-HBI_target.pdbqt | data/1D/1DCP-HBI/1DCP-HBI_decoys.pdbqt | data/1D/1DCP-HBI/1DCP-HBI_decoy_scores.csv |
1DJN-ADP | data/1D/1DJN-ADP/1DJN-ADP_ligand.pdbqt | data/1D/1DJN-ADP/1DJN-ADP_target.pdbqt | data/1D/1DJN-ADP/1DJN-ADP_decoys.pdbqt | data/1D/1DJN-ADP/1DJN-ADP_decoy_scores.csv |
1D7X-SPC | data/1D/1D7X-SPC/1D7X-SPC_ligand.pdbqt | data/1D/1D7X-SPC/1D7X-SPC_target.pdbqt | data/1D/1D7X-SPC/1D7X-SPC_decoys.pdbqt | data/1D/1D7X-SPC/1D7X-SPC_decoy_scores.csv |
1DDU-DDU | data/1D/1DDU-DDU/1DDU-DDU_ligand.pdbqt | data/1D/1DDU-DDU/1DDU-DDU_target.pdbqt | data/1D/1DDU-DDU/1DDU-DDU_decoys.pdbqt | data/1D/1DDU-DDU/1DDU-DDU_decoy_scores.csv |
1DY4-SNP | data/1D/1DY4-SNP/1DY4-SNP_ligand.pdbqt | data/1D/1DY4-SNP/1DY4-SNP_target.pdbqt | data/1D/1DY4-SNP/1DY4-SNP_decoys.pdbqt | data/1D/1DY4-SNP/1DY4-SNP_decoy_scores.csv |
1DBT-U5P | data/1D/1DBT-U5P/1DBT-U5P_ligand.pdbqt | data/1D/1DBT-U5P/1DBT-U5P_target.pdbqt | data/1D/1DBT-U5P/1DBT-U5P_decoys.pdbqt | data/1D/1DBT-U5P/1DBT-U5P_decoy_scores.csv |
1DDT-APU | data/1D/1DDT-APU/1DDT-APU_ligand.pdbqt | data/1D/1DDT-APU/1DDT-APU_target.pdbqt | data/1D/1DDT-APU/1DDT-APU_decoys.pdbqt | data/1D/1DDT-APU/1DDT-APU_decoy_scores.csv |
1D1G-MTX | data/1D/1D1G-MTX/1D1G-MTX_ligand.pdbqt | data/1D/1D1G-MTX/1D1G-MTX_target.pdbqt | data/1D/1D1G-MTX/1D1G-MTX_decoys.pdbqt | data/1D/1D1G-MTX/1D1G-MTX_decoy_scores.csv |
1DNA-CB3 | data/1D/1DNA-CB3/1DNA-CB3_ligand.pdbqt | data/1D/1DNA-CB3/1DNA-CB3_target.pdbqt | data/1D/1DNA-CB3/1DNA-CB3_decoys.pdbqt | data/1D/1DNA-CB3/1DNA-CB3_decoy_scores.csv |
1D7O-TCL | data/1D/1D7O-TCL/1D7O-TCL_ligand.pdbqt | data/1D/1D7O-TCL/1D7O-TCL_target.pdbqt | data/1D/1D7O-TCL/1D7O-TCL_decoys.pdbqt | data/1D/1D7O-TCL/1D7O-TCL_decoy_scores.csv |
1DXR-NS5 | data/1D/1DXR-NS5/1DXR-NS5_ligand.pdbqt | data/1D/1DXR-NS5/1DXR-NS5_target.pdbqt | data/1D/1DXR-NS5/1DXR-NS5_decoys.pdbqt | data/1D/1DXR-NS5/1DXR-NS5_decoy_scores.csv |
1D3H-ORO | data/1D/1D3H-ORO/1D3H-ORO_ligand.pdbqt | data/1D/1D3H-ORO/1D3H-ORO_target.pdbqt | data/1D/1D3H-ORO/1D3H-ORO_decoys.pdbqt | data/1D/1D3H-ORO/1D3H-ORO_decoy_scores.csv |
1D6A-GUN | data/1D/1D6A-GUN/1D6A-GUN_ligand.pdbqt | data/1D/1D6A-GUN/1D6A-GUN_target.pdbqt | data/1D/1D6A-GUN/1D6A-GUN_decoys.pdbqt | data/1D/1D6A-GUN/1D6A-GUN_decoy_scores.csv |
1D1S-NAD | data/1D/1D1S-NAD/1D1S-NAD_ligand.pdbqt | data/1D/1D1S-NAD/1D1S-NAD_target.pdbqt | data/1D/1D1S-NAD/1D1S-NAD_decoys.pdbqt | data/1D/1D1S-NAD/1D1S-NAD_decoy_scores.csv |
1DOR-FMN | data/1D/1DOR-FMN/1DOR-FMN_ligand.pdbqt | data/1D/1DOR-FMN/1DOR-FMN_target.pdbqt | data/1D/1DOR-FMN/1DOR-FMN_decoys.pdbqt | data/1D/1DOR-FMN/1DOR-FMN_decoy_scores.csv |
1DMW-HBI | data/1D/1DMW-HBI/1DMW-HBI_ligand.pdbqt | data/1D/1DMW-HBI/1DMW-HBI_target.pdbqt | data/1D/1DMW-HBI/1DMW-HBI_decoys.pdbqt | data/1D/1DMW-HBI/1DMW-HBI_decoy_scores.csv |
1DMI-BHS | data/1D/1DMI-BHS/1DMI-BHS_ligand.pdbqt | data/1D/1DMI-BHS/1DMI-BHS_target.pdbqt | data/1D/1DMI-BHS/1DMI-BHS_decoys.pdbqt | data/1D/1DMI-BHS/1DMI-BHS_decoy_scores.csv |
1DZT-TPE | data/1D/1DZT-TPE/1DZT-TPE_ligand.pdbqt | data/1D/1DZT-TPE/1DZT-TPE_target.pdbqt | data/1D/1DZT-TPE/1DZT-TPE_decoys.pdbqt | data/1D/1DZT-TPE/1DZT-TPE_decoy_scores.csv |
1DOB-PHB | data/1D/1DOB-PHB/1DOB-PHB_ligand.pdbqt | data/1D/1DOB-PHB/1DOB-PHB_target.pdbqt | data/1D/1DOB-PHB/1DOB-PHB_decoys.pdbqt | data/1D/1DOB-PHB/1DOB-PHB_decoy_scores.csv |
1D8D-FII | data/1D/1D8D-FII/1D8D-FII_ligand.pdbqt | data/1D/1D8D-FII/1D8D-FII_target.pdbqt | data/1D/1D8D-FII/1D8D-FII_decoys.pdbqt | data/1D/1D8D-FII/1D8D-FII_decoy_scores.csv |
1D3G-DDQ | data/1D/1D3G-DDQ/1D3G-DDQ_ligand.pdbqt | data/1D/1D3G-DDQ/1D3G-DDQ_target.pdbqt | data/1D/1D3G-DDQ/1D3G-DDQ_decoys.pdbqt | data/1D/1D3G-DDQ/1D3G-DDQ_decoy_scores.csv |
1DQS-NAD | data/1D/1DQS-NAD/1DQS-NAD_ligand.pdbqt | data/1D/1DQS-NAD/1DQS-NAD_target.pdbqt | data/1D/1DQS-NAD/1DQS-NAD_decoys.pdbqt | data/1D/1DQS-NAD/1DQS-NAD_decoy_scores.csv |
1DAI-DSD | data/1D/1DAI-DSD/1DAI-DSD_ligand.pdbqt | data/1D/1DAI-DSD/1DAI-DSD_target.pdbqt | data/1D/1DAI-DSD/1DAI-DSD_decoys.pdbqt | data/1D/1DAI-DSD/1DAI-DSD_decoy_scores.csv |
1DUI-DFP | data/1D/1DUI-DFP/1DUI-DFP_ligand.pdbqt | data/1D/1DUI-DFP/1DUI-DFP_target.pdbqt | data/1D/1DUI-DFP/1DUI-DFP_decoys.pdbqt | data/1D/1DUI-DFP/1DUI-DFP_decoy_scores.csv |
1DVT-FLP | data/1D/1DVT-FLP/1DVT-FLP_ligand.pdbqt | data/1D/1DVT-FLP/1DVT-FLP_target.pdbqt | data/1D/1DVT-FLP/1DVT-FLP_decoys.pdbqt | data/1D/1DVT-FLP/1DVT-FLP_decoy_scores.csv |
1D4P-BPP | data/1D/1D4P-BPP/1D4P-BPP_ligand.pdbqt | data/1D/1D4P-BPP/1D4P-BPP_target.pdbqt | data/1D/1D4P-BPP/1D4P-BPP_decoys.pdbqt | data/1D/1D4P-BPP/1D4P-BPP_decoy_scores.csv |
1DIW-GAL | data/1D/1DIW-GAL/1DIW-GAL_ligand.pdbqt | data/1D/1DIW-GAL/1DIW-GAL_target.pdbqt | data/1D/1DIW-GAL/1DIW-GAL_decoys.pdbqt | data/1D/1DIW-GAL/1DIW-GAL_decoy_scores.csv |
1DPM-EBP | data/1D/1DPM-EBP/1DPM-EBP_ligand.pdbqt | data/1D/1DPM-EBP/1DPM-EBP_target.pdbqt | data/1D/1DPM-EBP/1DPM-EBP_decoys.pdbqt | data/1D/1DPM-EBP/1DPM-EBP_decoy_scores.csv |
1DKQ-IHP | data/1D/1DKQ-IHP/1DKQ-IHP_ligand.pdbqt | data/1D/1DKQ-IHP/1DKQ-IHP_target.pdbqt | data/1D/1DKQ-IHP/1DKQ-IHP_decoys.pdbqt | data/1D/1DKQ-IHP/1DKQ-IHP_decoy_scores.csv |
1DNP-MHF | data/1D/1DNP-MHF/1DNP-MHF_ligand.pdbqt | data/1D/1DNP-MHF/1DNP-MHF_target.pdbqt | data/1D/1DNP-MHF/1DNP-MHF_decoys.pdbqt | data/1D/1DNP-MHF/1DNP-MHF_decoy_scores.csv |
1DQO-ASG | data/1D/1DQO-ASG/1DQO-ASG_ligand.pdbqt | data/1D/1DQO-ASG/1DQO-ASG_target.pdbqt | data/1D/1DQO-ASG/1DQO-ASG_decoys.pdbqt | data/1D/1DQO-ASG/1DQO-ASG_decoy_scores.csv |
1DVY-BPD | data/1D/1DVY-BPD/1DVY-BPD_ligand.pdbqt | data/1D/1DVY-BPD/1DVY-BPD_target.pdbqt | data/1D/1DVY-BPD/1DVY-BPD_decoys.pdbqt | data/1D/1DVY-BPD/1DVY-BPD_decoy_scores.csv |
1DZK-PRZ | data/1D/1DZK-PRZ/1DZK-PRZ_ligand.pdbqt | data/1D/1DZK-PRZ/1DZK-PRZ_target.pdbqt | data/1D/1DZK-PRZ/1DZK-PRZ_decoys.pdbqt | data/1D/1DZK-PRZ/1DZK-PRZ_decoy_scores.csv |
1DM6-PH3 | data/1D/1DM6-PH3/1DM6-PH3_ligand.pdbqt | data/1D/1DM6-PH3/1DM6-PH3_target.pdbqt | data/1D/1DM6-PH3/1DM6-PH3_decoys.pdbqt | data/1D/1DM6-PH3/1DM6-PH3_decoy_scores.csv |
1D8A-NAD | data/1D/1D8A-NAD/1D8A-NAD_ligand.pdbqt | data/1D/1D8A-NAD/1D8A-NAD_target.pdbqt | data/1D/1D8A-NAD/1D8A-NAD_decoys.pdbqt | data/1D/1D8A-NAD/1D8A-NAD_decoy_scores.csv |
1DBP-RIP | data/1D/1DBP-RIP/1DBP-RIP_ligand.pdbqt | data/1D/1DBP-RIP/1DBP-RIP_target.pdbqt | data/1D/1DBP-RIP/1DBP-RIP_decoys.pdbqt | data/1D/1DBP-RIP/1DBP-RIP_decoy_scores.csv |
1DZ6-CAM | data/1D/1DZ6-CAM/1DZ6-CAM_ligand.pdbqt | data/1D/1DZ6-CAM/1DZ6-CAM_target.pdbqt | data/1D/1DZ6-CAM/1DZ6-CAM_decoys.pdbqt | data/1D/1DZ6-CAM/1DZ6-CAM_decoy_scores.csv |
1DYI-FOL | data/1D/1DYI-FOL/1DYI-FOL_ligand.pdbqt | data/1D/1DYI-FOL/1DYI-FOL_target.pdbqt | data/1D/1DYI-FOL/1DYI-FOL_decoys.pdbqt | data/1D/1DYI-FOL/1DYI-FOL_decoy_scores.csv |
1DF1-H4B | data/1D/1DF1-H4B/1DF1-H4B_ligand.pdbqt | data/1D/1DF1-H4B/1DF1-H4B_target.pdbqt | data/1D/1DF1-H4B/1DF1-H4B_decoys.pdbqt | data/1D/1DF1-H4B/1DF1-H4B_decoy_scores.csv |
1D7L-PHB | data/1D/1D7L-PHB/1D7L-PHB_ligand.pdbqt | data/1D/1D7L-PHB/1D7L-PHB_target.pdbqt | data/1D/1D7L-PHB/1D7L-PHB_decoys.pdbqt | data/1D/1D7L-PHB/1D7L-PHB_decoy_scores.csv |
1DXR-LDA | data/1D/1DXR-LDA/1DXR-LDA_ligand.pdbqt | data/1D/1DXR-LDA/1DXR-LDA_target.pdbqt | data/1D/1DXR-LDA/1DXR-LDA_decoys.pdbqt | data/1D/1DXR-LDA/1DXR-LDA_decoy_scores.csv |
1DQE-BOM | data/1D/1DQE-BOM/1DQE-BOM_ligand.pdbqt | data/1D/1DQE-BOM/1DQE-BOM_target.pdbqt | data/1D/1DQE-BOM/1DQE-BOM_decoys.pdbqt | data/1D/1DQE-BOM/1DQE-BOM_decoy_scores.csv |
1DJQ-FMN | data/1D/1DJQ-FMN/1DJQ-FMN_ligand.pdbqt | data/1D/1DJQ-FMN/1DJQ-FMN_target.pdbqt | data/1D/1DJQ-FMN/1DJQ-FMN_decoys.pdbqt | data/1D/1DJQ-FMN/1DJQ-FMN_decoy_scores.csv |
1DQP-IMG | data/1D/1DQP-IMG/1DQP-IMG_ligand.pdbqt | data/1D/1DQP-IMG/1DQP-IMG_target.pdbqt | data/1D/1DQP-IMG/1DQP-IMG_decoys.pdbqt | data/1D/1DQP-IMG/1DQP-IMG_decoy_scores.csv |
1D8F-SPI | data/1D/1D8F-SPI/1D8F-SPI_ligand.pdbqt | data/1D/1D8F-SPI/1D8F-SPI_target.pdbqt | data/1D/1D8F-SPI/1D8F-SPI_decoys.pdbqt | data/1D/1D8F-SPI/1D8F-SPI_decoy_scores.csv |
1DQ8-MAH | data/1D/1DQ8-MAH/1DQ8-MAH_ligand.pdbqt | data/1D/1DQ8-MAH/1DQ8-MAH_target.pdbqt | data/1D/1DQ8-MAH/1DQ8-MAH_decoys.pdbqt | data/1D/1DQ8-MAH/1DQ8-MAH_decoy_scores.csv |
1DTN-APG | data/1D/1DTN-APG/1DTN-APG_ligand.pdbqt | data/1D/1DTN-APG/1DTN-APG_target.pdbqt | data/1D/1DTN-APG/1DTN-APG_decoys.pdbqt | data/1D/1DTN-APG/1DTN-APG_decoy_scores.csv |
1D7A-AIR | data/1D/1D7A-AIR/1D7A-AIR_ligand.pdbqt | data/1D/1D7A-AIR/1D7A-AIR_target.pdbqt | data/1D/1D7A-AIR/1D7A-AIR_decoys.pdbqt | data/1D/1D7A-AIR/1D7A-AIR_decoy_scores.csv |
1DZ4-CAM | data/1D/1DZ4-CAM/1DZ4-CAM_ligand.pdbqt | data/1D/1DZ4-CAM/1DZ4-CAM_target.pdbqt | data/1D/1DZ4-CAM/1DZ4-CAM_decoys.pdbqt | data/1D/1DZ4-CAM/1DZ4-CAM_decoy_scores.csv |
1DVU-DBF | data/1D/1DVU-DBF/1DVU-DBF_ligand.pdbqt | data/1D/1DVU-DBF/1DVU-DBF_target.pdbqt | data/1D/1DVU-DBF/1DVU-DBF_decoys.pdbqt | data/1D/1DVU-DBF/1DVU-DBF_decoy_scores.csv |
1DAK-ADP | data/1D/1DAK-ADP/1DAK-ADP_ligand.pdbqt | data/1D/1DAK-ADP/1DAK-ADP_target.pdbqt | data/1D/1DAK-ADP/1DAK-ADP_decoys.pdbqt | data/1D/1DAK-ADP/1DAK-ADP_decoy_scores.csv |
1DX5-0GJ | data/1D/1DX5-0GJ/1DX5-0GJ_ligand.pdbqt | data/1D/1DX5-0GJ/1DX5-0GJ_target.pdbqt | data/1D/1DX5-0GJ/1DX5-0GJ_decoys.pdbqt | data/1D/1DX5-0GJ/1DX5-0GJ_decoy_scores.csv |
1DHR-NAD | data/1D/1DHR-NAD/1DHR-NAD_ligand.pdbqt | data/1D/1DHR-NAD/1DHR-NAD_target.pdbqt | data/1D/1DHR-NAD/1DHR-NAD_decoys.pdbqt | data/1D/1DHR-NAD/1DHR-NAD_decoy_scores.csv |
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