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 ⌀ |
|---|---|---|---|---|
1E66-HUX | data/1E/1E66-HUX/1E66-HUX_ligand.pdbqt | data/1E/1E66-HUX/1E66-HUX_target.pdbqt | data/1E/1E66-HUX/1E66-HUX_decoys.pdbqt | data/1E/1E66-HUX/1E66-HUX_decoy_scores.csv |
1EFH-A3P | data/1E/1EFH-A3P/1EFH-A3P_ligand.pdbqt | data/1E/1EFH-A3P/1EFH-A3P_target.pdbqt | data/1E/1EFH-A3P/1EFH-A3P_decoys.pdbqt | data/1E/1EFH-A3P/1EFH-A3P_decoy_scores.csv |
1EQJ-2PG | data/1E/1EQJ-2PG/1EQJ-2PG_ligand.pdbqt | data/1E/1EQJ-2PG/1EQJ-2PG_target.pdbqt | data/1E/1EQJ-2PG/1EQJ-2PG_decoys.pdbqt | data/1E/1EQJ-2PG/1EQJ-2PG_decoy_scores.csv |
1E2D-TMP | data/1E/1E2D-TMP/1E2D-TMP_ligand.pdbqt | data/1E/1E2D-TMP/1E2D-TMP_target.pdbqt | data/1E/1E2D-TMP/1E2D-TMP_decoys.pdbqt | data/1E/1E2D-TMP/1E2D-TMP_decoy_scores.csv |
1E1X-NW1 | data/1E/1E1X-NW1/1E1X-NW1_ligand.pdbqt | data/1E/1E1X-NW1/1E1X-NW1_target.pdbqt | data/1E/1E1X-NW1/1E1X-NW1_decoys.pdbqt | data/1E/1E1X-NW1/1E1X-NW1_decoy_scores.csv |
1E02-UNA | data/1E/1E02-UNA/1E02-UNA_ligand.pdbqt | data/1E/1E02-UNA/1E02-UNA_target.pdbqt | data/1E/1E02-UNA/1E02-UNA_decoys.pdbqt | data/1E/1E02-UNA/1E02-UNA_decoy_scores.csv |
1EJN-AGB | data/1E/1EJN-AGB/1EJN-AGB_ligand.pdbqt | data/1E/1EJN-AGB/1EJN-AGB_target.pdbqt | data/1E/1EJN-AGB/1EJN-AGB_decoys.pdbqt | data/1E/1EJN-AGB/1EJN-AGB_decoy_scores.csv |
1EWK-GLU | data/1E/1EWK-GLU/1EWK-GLU_ligand.pdbqt | data/1E/1EWK-GLU/1EWK-GLU_target.pdbqt | data/1E/1EWK-GLU/1EWK-GLU_decoys.pdbqt | data/1E/1EWK-GLU/1EWK-GLU_decoy_scores.csv |
1EUU-GAL | data/1E/1EUU-GAL/1EUU-GAL_ligand.pdbqt | data/1E/1EUU-GAL/1EUU-GAL_target.pdbqt | data/1E/1EUU-GAL/1EUU-GAL_decoys.pdbqt | data/1E/1EUU-GAL/1EUU-GAL_decoy_scores.csv |
1E96-GTP | data/1E/1E96-GTP/1E96-GTP_ligand.pdbqt | data/1E/1E96-GTP/1E96-GTP_target.pdbqt | data/1E/1E96-GTP/1E96-GTP_decoys.pdbqt | data/1E/1E96-GTP/1E96-GTP_decoy_scores.csv |
1EMD-NAD | data/1E/1EMD-NAD/1EMD-NAD_ligand.pdbqt | data/1E/1EMD-NAD/1EMD-NAD_target.pdbqt | data/1E/1EMD-NAD/1EMD-NAD_decoys.pdbqt | data/1E/1EMD-NAD/1EMD-NAD_decoy_scores.csv |
1E6W-NAD | data/1E/1E6W-NAD/1E6W-NAD_ligand.pdbqt | data/1E/1E6W-NAD/1E6W-NAD_target.pdbqt | data/1E/1E6W-NAD/1E6W-NAD_decoys.pdbqt | data/1E/1E6W-NAD/1E6W-NAD_decoy_scores.csv |
1EYR-CDP | data/1E/1EYR-CDP/1EYR-CDP_ligand.pdbqt | data/1E/1EYR-CDP/1EYR-CDP_target.pdbqt | data/1E/1EYR-CDP/1EYR-CDP_decoys.pdbqt | data/1E/1EYR-CDP/1EYR-CDP_decoy_scores.csv |
1ESB-BBL | data/1E/1ESB-BBL/1ESB-BBL_ligand.pdbqt | data/1E/1ESB-BBL/1ESB-BBL_target.pdbqt | data/1E/1ESB-BBL/1ESB-BBL_decoys.pdbqt | data/1E/1ESB-BBL/1ESB-BBL_decoy_scores.csv |
1EE1-ATP | data/1E/1EE1-ATP/1EE1-ATP_ligand.pdbqt | data/1E/1EE1-ATP/1EE1-ATP_target.pdbqt | data/1E/1EE1-ATP/1EE1-ATP_decoys.pdbqt | data/1E/1EE1-ATP/1EE1-ATP_decoy_scores.csv |
1EWL-R99 | data/1E/1EWL-R99/1EWL-R99_ligand.pdbqt | data/1E/1EWL-R99/1EWL-R99_target.pdbqt | data/1E/1EWL-R99/1EWL-R99_decoys.pdbqt | data/1E/1EWL-R99/1EWL-R99_decoy_scores.csv |
1EC9-XYH | data/1E/1EC9-XYH/1EC9-XYH_ligand.pdbqt | data/1E/1EC9-XYH/1EC9-XYH_target.pdbqt | data/1E/1EC9-XYH/1EC9-XYH_decoys.pdbqt | data/1E/1EC9-XYH/1EC9-XYH_decoy_scores.csv |
1E1V-CMG | data/1E/1E1V-CMG/1E1V-CMG_ligand.pdbqt | data/1E/1E1V-CMG/1E1V-CMG_target.pdbqt | data/1E/1E1V-CMG/1E1V-CMG_decoys.pdbqt | data/1E/1E1V-CMG/1E1V-CMG_decoy_scores.csv |
1EXV-700 | data/1E/1EXV-700/1EXV-700_ligand.pdbqt | data/1E/1EXV-700/1EXV-700_target.pdbqt | data/1E/1EXV-700/1EXV-700_decoys.pdbqt | data/1E/1EXV-700/1EXV-700_decoy_scores.csv |
1E22-LYS | data/1E/1E22-LYS/1E22-LYS_ligand.pdbqt | data/1E/1E22-LYS/1E22-LYS_target.pdbqt | data/1E/1E22-LYS/1E22-LYS_decoys.pdbqt | data/1E/1E22-LYS/1E22-LYS_decoy_scores.csv |
1EYX-BLA | data/1E/1EYX-BLA/1EYX-BLA_ligand.pdbqt | data/1E/1EYX-BLA/1EYX-BLA_target.pdbqt | data/1E/1EYX-BLA/1EYX-BLA_decoys.pdbqt | data/1E/1EYX-BLA/1EYX-BLA_decoy_scores.csv |
1E12-OLC | data/1E/1E12-OLC/1E12-OLC_ligand.pdbqt | data/1E/1E12-OLC/1E12-OLC_target.pdbqt | data/1E/1E12-OLC/1E12-OLC_decoys.pdbqt | data/1E/1E12-OLC/1E12-OLC_decoy_scores.csv |
1E36-TPY | data/1E/1E36-TPY/1E36-TPY_ligand.pdbqt | data/1E/1E36-TPY/1E36-TPY_target.pdbqt | data/1E/1E36-TPY/1E36-TPY_decoys.pdbqt | data/1E/1E36-TPY/1E36-TPY_decoy_scores.csv |
1E2N-RCA | data/1E/1E2N-RCA/1E2N-RCA_ligand.pdbqt | data/1E/1E2N-RCA/1E2N-RCA_target.pdbqt | data/1E/1E2N-RCA/1E2N-RCA_decoys.pdbqt | data/1E/1E2N-RCA/1E2N-RCA_decoy_scores.csv |
1EOC-4NC | data/1E/1EOC-4NC/1EOC-4NC_ligand.pdbqt | data/1E/1EOC-4NC/1EOC-4NC_target.pdbqt | data/1E/1EOC-4NC/1EOC-4NC_decoys.pdbqt | data/1E/1EOC-4NC/1EOC-4NC_decoy_scores.csv |
1E3W-NAD | data/1E/1E3W-NAD/1E3W-NAD_ligand.pdbqt | data/1E/1E3W-NAD/1E3W-NAD_target.pdbqt | data/1E/1E3W-NAD/1E3W-NAD_decoys.pdbqt | data/1E/1E3W-NAD/1E3W-NAD_decoy_scores.csv |
1EPV-DCS | data/1E/1EPV-DCS/1EPV-DCS_ligand.pdbqt | data/1E/1EPV-DCS/1EPV-DCS_target.pdbqt | data/1E/1EPV-DCS/1EPV-DCS_decoys.pdbqt | data/1E/1EPV-DCS/1EPV-DCS_decoy_scores.csv |
1EZV-SMA | data/1E/1EZV-SMA/1EZV-SMA_ligand.pdbqt | data/1E/1EZV-SMA/1EZV-SMA_target.pdbqt | data/1E/1EZV-SMA/1EZV-SMA_decoys.pdbqt | data/1E/1EZV-SMA/1EZV-SMA_decoy_scores.csv |
1EP1-FMN | data/1E/1EP1-FMN/1EP1-FMN_ligand.pdbqt | data/1E/1EP1-FMN/1EP1-FMN_target.pdbqt | data/1E/1EP1-FMN/1EP1-FMN_decoys.pdbqt | data/1E/1EP1-FMN/1EP1-FMN_decoy_scores.csv |
1E5A-TBP | data/1E/1E5A-TBP/1E5A-TBP_ligand.pdbqt | data/1E/1E5A-TBP/1E5A-TBP_target.pdbqt | data/1E/1E5A-TBP/1E5A-TBP_decoys.pdbqt | data/1E/1E5A-TBP/1E5A-TBP_decoy_scores.csv |
1E3S-NAD | data/1E/1E3S-NAD/1E3S-NAD_ligand.pdbqt | data/1E/1E3S-NAD/1E3S-NAD_target.pdbqt | data/1E/1E3S-NAD/1E3S-NAD_decoys.pdbqt | data/1E/1E3S-NAD/1E3S-NAD_decoy_scores.csv |
1EYX-PUB | data/1E/1EYX-PUB/1EYX-PUB_ligand.pdbqt | data/1E/1EYX-PUB/1EYX-PUB_target.pdbqt | data/1E/1EYX-PUB/1EYX-PUB_decoys.pdbqt | data/1E/1EYX-PUB/1EYX-PUB_decoy_scores.csv |
1E2K-TMC | data/1E/1E2K-TMC/1E2K-TMC_ligand.pdbqt | data/1E/1E2K-TMC/1E2K-TMC_target.pdbqt | data/1E/1E2K-TMC/1E2K-TMC_decoys.pdbqt | data/1E/1E2K-TMC/1E2K-TMC_decoy_scores.csv |
1ELG-BAA | data/1E/1ELG-BAA/1ELG-BAA_ligand.pdbqt | data/1E/1ELG-BAA/1ELG-BAA_target.pdbqt | data/1E/1ELG-BAA/1ELG-BAA_decoys.pdbqt | data/1E/1ELG-BAA/1ELG-BAA_decoy_scores.csv |
1EQA-MG7 | data/1E/1EQA-MG7/1EQA-MG7_ligand.pdbqt | data/1E/1EQA-MG7/1EQA-MG7_target.pdbqt | data/1E/1EQA-MG7/1EQA-MG7_decoys.pdbqt | data/1E/1EQA-MG7/1EQA-MG7_decoy_scores.csv |
1E5D-FMN | data/1E/1E5D-FMN/1E5D-FMN_ligand.pdbqt | data/1E/1E5D-FMN/1E5D-FMN_target.pdbqt | data/1E/1E5D-FMN/1E5D-FMN_decoys.pdbqt | data/1E/1E5D-FMN/1E5D-FMN_decoy_scores.csv |
1E8Z-STU | data/1E/1E8Z-STU/1E8Z-STU_ligand.pdbqt | data/1E/1E8Z-STU/1E8Z-STU_target.pdbqt | data/1E/1E8Z-STU/1E8Z-STU_decoys.pdbqt | data/1E/1E8Z-STU/1E8Z-STU_decoy_scores.csv |
1EJE-FMN | data/1E/1EJE-FMN/1EJE-FMN_ligand.pdbqt | data/1E/1EJE-FMN/1EJE-FMN_target.pdbqt | data/1E/1EJE-FMN/1EJE-FMN_decoys.pdbqt | data/1E/1EJE-FMN/1EJE-FMN_decoy_scores.csv |
1EZ1-MPO | data/1E/1EZ1-MPO/1EZ1-MPO_ligand.pdbqt | data/1E/1EZ1-MPO/1EZ1-MPO_target.pdbqt | data/1E/1EZ1-MPO/1EZ1-MPO_decoys.pdbqt | data/1E/1EZ1-MPO/1EZ1-MPO_decoy_scores.csv |
1EUP-ASD | data/1E/1EUP-ASD/1EUP-ASD_ligand.pdbqt | data/1E/1EUP-ASD/1EUP-ASD_target.pdbqt | data/1E/1EUP-ASD/1EUP-ASD_decoys.pdbqt | data/1E/1EUP-ASD/1EUP-ASD_decoy_scores.csv |
1E6D-LDA | data/1E/1E6D-LDA/1E6D-LDA_ligand.pdbqt | data/1E/1E6D-LDA/1E6D-LDA_target.pdbqt | data/1E/1E6D-LDA/1E6D-LDA_decoys.pdbqt | data/1E/1E6D-LDA/1E6D-LDA_decoy_scores.csv |
1E19-ADP | data/1E/1E19-ADP/1E19-ADP_ligand.pdbqt | data/1E/1E19-ADP/1E19-ADP_target.pdbqt | data/1E/1E19-ADP/1E19-ADP_decoys.pdbqt | data/1E/1E19-ADP/1E19-ADP_decoy_scores.csv |
1ECG-ONL | data/1E/1ECG-ONL/1ECG-ONL_ligand.pdbqt | data/1E/1ECG-ONL/1ECG-ONL_target.pdbqt | data/1E/1ECG-ONL/1ECG-ONL_decoys.pdbqt | data/1E/1ECG-ONL/1ECG-ONL_decoy_scores.csv |
1E3L-NAD | data/1E/1E3L-NAD/1E3L-NAD_ligand.pdbqt | data/1E/1E3L-NAD/1E3L-NAD_target.pdbqt | data/1E/1E3L-NAD/1E3L-NAD_decoys.pdbqt | data/1E/1E3L-NAD/1E3L-NAD_decoy_scores.csv |
1EOS-U2G | data/1E/1EOS-U2G/1EOS-U2G_ligand.pdbqt | data/1E/1EOS-U2G/1EOS-U2G_target.pdbqt | data/1E/1EOS-U2G/1EOS-U2G_decoys.pdbqt | data/1E/1EOS-U2G/1EOS-U2G_decoy_scores.csv |
1EXM-GNP | data/1E/1EXM-GNP/1EXM-GNP_ligand.pdbqt | data/1E/1EXM-GNP/1EXM-GNP_target.pdbqt | data/1E/1EXM-GNP/1EXM-GNP_decoys.pdbqt | data/1E/1EXM-GNP/1EXM-GNP_decoy_scores.csv |
1EXV-NBG | data/1E/1EXV-NBG/1EXV-NBG_ligand.pdbqt | data/1E/1EXV-NBG/1EXV-NBG_target.pdbqt | data/1E/1EXV-NBG/1EXV-NBG_decoys.pdbqt | data/1E/1EXV-NBG/1EXV-NBG_decoy_scores.csv |
1ED5-NRG | data/1E/1ED5-NRG/1ED5-NRG_ligand.pdbqt | data/1E/1ED5-NRG/1ED5-NRG_target.pdbqt | null | null |
1ELF-BAF | data/1E/1ELF-BAF/1ELF-BAF_ligand.pdbqt | data/1E/1ELF-BAF/1ELF-BAF_target.pdbqt | data/1E/1ELF-BAF/1ELF-BAF_decoys.pdbqt | data/1E/1ELF-BAF/1ELF-BAF_decoy_scores.csv |
1E2G-ADP | data/1E/1E2G-ADP/1E2G-ADP_ligand.pdbqt | data/1E/1E2G-ADP/1E2G-ADP_target.pdbqt | data/1E/1E2G-ADP/1E2G-ADP_decoys.pdbqt | data/1E/1E2G-ADP/1E2G-ADP_decoy_scores.csv |
1EFT-GNP | data/1E/1EFT-GNP/1EFT-GNP_ligand.pdbqt | data/1E/1EFT-GNP/1EFT-GNP_target.pdbqt | data/1E/1EFT-GNP/1EFT-GNP_decoys.pdbqt | data/1E/1EFT-GNP/1EFT-GNP_decoy_scores.csv |
1EM6-NBG | data/1E/1EM6-NBG/1EM6-NBG_ligand.pdbqt | data/1E/1EM6-NBG/1EM6-NBG_target.pdbqt | data/1E/1EM6-NBG/1EM6-NBG_decoys.pdbqt | data/1E/1EM6-NBG/1EM6-NBG_decoy_scores.csv |
1E7F-DAO | data/1E/1E7F-DAO/1E7F-DAO_ligand.pdbqt | data/1E/1E7F-DAO/1E7F-DAO_target.pdbqt | data/1E/1E7F-DAO/1E7F-DAO_decoys.pdbqt | data/1E/1E7F-DAO/1E7F-DAO_decoy_scores.csv |
1EZ1-GAR | data/1E/1EZ1-GAR/1EZ1-GAR_ligand.pdbqt | data/1E/1EZ1-GAR/1EZ1-GAR_target.pdbqt | data/1E/1EZ1-GAR/1EZ1-GAR_decoys.pdbqt | data/1E/1EZ1-GAR/1EZ1-GAR_decoy_scores.csv |
1ERB-ETR | data/1E/1ERB-ETR/1ERB-ETR_ligand.pdbqt | data/1E/1ERB-ETR/1ERB-ETR_target.pdbqt | data/1E/1ERB-ETR/1ERB-ETR_decoys.pdbqt | data/1E/1ERB-ETR/1ERB-ETR_decoy_scores.csv |
1E9B-ATM | data/1E/1E9B-ATM/1E9B-ATM_ligand.pdbqt | data/1E/1E9B-ATM/1E9B-ATM_target.pdbqt | data/1E/1E9B-ATM/1E9B-ATM_decoys.pdbqt | data/1E/1E9B-ATM/1E9B-ATM_decoy_scores.csv |
1ETR-MIT | data/1E/1ETR-MIT/1ETR-MIT_ligand.pdbqt | data/1E/1ETR-MIT/1ETR-MIT_target.pdbqt | data/1E/1ETR-MIT/1ETR-MIT_decoys.pdbqt | data/1E/1ETR-MIT/1ETR-MIT_decoy_scores.csv |
1E2I-APS | data/1E/1E2I-APS/1E2I-APS_ligand.pdbqt | data/1E/1E2I-APS/1E2I-APS_target.pdbqt | data/1E/1E2I-APS/1E2I-APS_decoys.pdbqt | data/1E/1E2I-APS/1E2I-APS_decoy_scores.csv |
1E8C-API | data/1E/1E8C-API/1E8C-API_ligand.pdbqt | data/1E/1E8C-API/1E8C-API_target.pdbqt | data/1E/1E8C-API/1E8C-API_decoys.pdbqt | data/1E/1E8C-API/1E8C-API_decoy_scores.csv |
1EOU-SMS | data/1E/1EOU-SMS/1EOU-SMS_ligand.pdbqt | data/1E/1EOU-SMS/1EOU-SMS_target.pdbqt | data/1E/1EOU-SMS/1EOU-SMS_decoys.pdbqt | data/1E/1EOU-SMS/1EOU-SMS_decoy_scores.csv |
1EAU-BDK | data/1E/1EAU-BDK/1EAU-BDK_ligand.pdbqt | data/1E/1EAU-BDK/1EAU-BDK_target.pdbqt | data/1E/1EAU-BDK/1EAU-BDK_decoys.pdbqt | data/1E/1EAU-BDK/1EAU-BDK_decoy_scores.csv |
1EP2-FMN | data/1E/1EP2-FMN/1EP2-FMN_ligand.pdbqt | data/1E/1EP2-FMN/1EP2-FMN_target.pdbqt | data/1E/1EP2-FMN/1EP2-FMN_decoys.pdbqt | data/1E/1EP2-FMN/1EP2-FMN_decoy_scores.csv |
1E5O-3AI | data/1E/1E5O-3AI/1E5O-3AI_ligand.pdbqt | data/1E/1E5O-3AI/1E5O-3AI_target.pdbqt | data/1E/1E5O-3AI/1E5O-3AI_decoys.pdbqt | data/1E/1E5O-3AI/1E5O-3AI_decoy_scores.csv |
1EKO-I84 | data/1E/1EKO-I84/1EKO-I84_ligand.pdbqt | data/1E/1EKO-I84/1EKO-I84_target.pdbqt | data/1E/1EKO-I84/1EKO-I84_decoys.pdbqt | data/1E/1EKO-I84/1EKO-I84_decoy_scores.csv |
1EZ2-DII | data/1E/1EZ2-DII/1EZ2-DII_ligand.pdbqt | data/1E/1EZ2-DII/1EZ2-DII_target.pdbqt | data/1E/1EZ2-DII/1EZ2-DII_decoys.pdbqt | data/1E/1EZ2-DII/1EZ2-DII_decoy_scores.csv |
1E2M-HPT | data/1E/1E2M-HPT/1E2M-HPT_ligand.pdbqt | data/1E/1E2M-HPT/1E2M-HPT_target.pdbqt | data/1E/1E2M-HPT/1E2M-HPT_decoys.pdbqt | data/1E/1E2M-HPT/1E2M-HPT_decoy_scores.csv |
1EVY-MYS | data/1E/1EVY-MYS/1EVY-MYS_ligand.pdbqt | data/1E/1EVY-MYS/1EVY-MYS_target.pdbqt | data/1E/1EVY-MYS/1EVY-MYS_decoys.pdbqt | data/1E/1EVY-MYS/1EVY-MYS_decoy_scores.csv |
1EUS-DAN | data/1E/1EUS-DAN/1EUS-DAN_ligand.pdbqt | data/1E/1EUS-DAN/1EUS-DAN_target.pdbqt | data/1E/1EUS-DAN/1EUS-DAN_decoys.pdbqt | data/1E/1EUS-DAN/1EUS-DAN_decoy_scores.csv |
1E1R-ANP | data/1E/1E1R-ANP/1E1R-ANP_ligand.pdbqt | data/1E/1E1R-ANP/1E1R-ANP_target.pdbqt | null | null |
1EJ3-CZH | data/1E/1EJ3-CZH/1EJ3-CZH_ligand.pdbqt | data/1E/1EJ3-CZH/1EJ3-CZH_target.pdbqt | data/1E/1EJ3-CZH/1EJ3-CZH_decoys.pdbqt | data/1E/1EJ3-CZH/1EJ3-CZH_decoy_scores.csv |
1EJ0-SAM | data/1E/1EJ0-SAM/1EJ0-SAM_ligand.pdbqt | data/1E/1EJ0-SAM/1EJ0-SAM_target.pdbqt | data/1E/1EJ0-SAM/1EJ0-SAM_decoys.pdbqt | data/1E/1EJ0-SAM/1EJ0-SAM_decoy_scores.csv |
1E9H-INR | data/1E/1E9H-INR/1E9H-INR_ligand.pdbqt | data/1E/1E9H-INR/1E9H-INR_target.pdbqt | data/1E/1E9H-INR/1E9H-INR_decoys.pdbqt | data/1E/1E9H-INR/1E9H-INR_decoy_scores.csv |
1EK0-GDP | data/1E/1EK0-GDP/1EK0-GDP_ligand.pdbqt | data/1E/1EK0-GDP/1EK0-GDP_target.pdbqt | data/1E/1EK0-GDP/1EK0-GDP_decoys.pdbqt | data/1E/1EK0-GDP/1EK0-GDP_decoy_scores.csv |
1ECG-PIN | data/1E/1ECG-PIN/1ECG-PIN_ligand.pdbqt | data/1E/1ECG-PIN/1ECG-PIN_target.pdbqt | data/1E/1ECG-PIN/1ECG-PIN_decoys.pdbqt | data/1E/1ECG-PIN/1ECG-PIN_decoy_scores.csv |
1E9E-ADP | data/1E/1E9E-ADP/1E9E-ADP_ligand.pdbqt | data/1E/1E9E-ADP/1E9E-ADP_target.pdbqt | data/1E/1E9E-ADP/1E9E-ADP_decoys.pdbqt | data/1E/1E9E-ADP/1E9E-ADP_decoy_scores.csv |
1EJ2-NAD | data/1E/1EJ2-NAD/1EJ2-NAD_ligand.pdbqt | data/1E/1EJ2-NAD/1EJ2-NAD_target.pdbqt | data/1E/1EJ2-NAD/1EJ2-NAD_decoys.pdbqt | data/1E/1EJ2-NAD/1EJ2-NAD_decoy_scores.csv |
1EYK-AMP | data/1E/1EYK-AMP/1EYK-AMP_ligand.pdbqt | data/1E/1EYK-AMP/1EYK-AMP_target.pdbqt | data/1E/1EYK-AMP/1EYK-AMP_decoys.pdbqt | data/1E/1EYK-AMP/1EYK-AMP_decoy_scores.csv |
1E9F-ADP | data/1E/1E9F-ADP/1E9F-ADP_ligand.pdbqt | data/1E/1E9F-ADP/1E9F-ADP_target.pdbqt | data/1E/1E9F-ADP/1E9F-ADP_decoys.pdbqt | data/1E/1E9F-ADP/1E9F-ADP_decoy_scores.csv |
1EJB-INJ | data/1E/1EJB-INJ/1EJB-INJ_ligand.pdbqt | data/1E/1EJB-INJ/1EJB-INJ_target.pdbqt | data/1E/1EJB-INJ/1EJB-INJ_decoys.pdbqt | data/1E/1EJB-INJ/1EJB-INJ_decoy_scores.csv |
1E55-DHR | data/1E/1E55-DHR/1E55-DHR_ligand.pdbqt | data/1E/1E55-DHR/1E55-DHR_target.pdbqt | data/1E/1E55-DHR/1E55-DHR_decoys.pdbqt | data/1E/1E55-DHR/1E55-DHR_decoy_scores.csv |
1EXA-LMU | data/1E/1EXA-LMU/1EXA-LMU_ligand.pdbqt | data/1E/1EXA-LMU/1EXA-LMU_target.pdbqt | data/1E/1EXA-LMU/1EXA-LMU_decoys.pdbqt | data/1E/1EXA-LMU/1EXA-LMU_decoy_scores.csv |
1E8W-QUE | data/1E/1E8W-QUE/1E8W-QUE_ligand.pdbqt | data/1E/1E8W-QUE/1E8W-QUE_target.pdbqt | data/1E/1E8W-QUE/1E8W-QUE_decoys.pdbqt | data/1E/1E8W-QUE/1E8W-QUE_decoy_scores.csv |
1EK0-GNP | data/1E/1EK0-GNP/1EK0-GNP_ligand.pdbqt | data/1E/1EK0-GNP/1EK0-GNP_target.pdbqt | data/1E/1EK0-GNP/1EK0-GNP_decoys.pdbqt | data/1E/1EK0-GNP/1EK0-GNP_decoy_scores.csv |
1E3E-NAI | data/1E/1E3E-NAI/1E3E-NAI_ligand.pdbqt | data/1E/1E3E-NAI/1E3E-NAI_target.pdbqt | data/1E/1E3E-NAI/1E3E-NAI_decoys.pdbqt | data/1E/1E3E-NAI/1E3E-NAI_decoy_scores.csv |
1E6D-SPN | data/1E/1E6D-SPN/1E6D-SPN_ligand.pdbqt | data/1E/1E6D-SPN/1E6D-SPN_target.pdbqt | data/1E/1E6D-SPN/1E6D-SPN_decoys.pdbqt | data/1E/1E6D-SPN/1E6D-SPN_decoy_scores.csv |
1E3G-R18 | data/1E/1E3G-R18/1E3G-R18_ligand.pdbqt | data/1E/1E3G-R18/1E3G-R18_target.pdbqt | data/1E/1E3G-R18/1E3G-R18_decoys.pdbqt | data/1E/1E3G-R18/1E3G-R18_decoy_scores.csv |
1EQM-ADP | data/1E/1EQM-ADP/1EQM-ADP_ligand.pdbqt | data/1E/1EQM-ADP/1EQM-ADP_target.pdbqt | data/1E/1EQM-ADP/1EQM-ADP_decoys.pdbqt | data/1E/1EQM-ADP/1EQM-ADP_decoy_scores.csv |
1ETT-4QQ | data/1E/1ETT-4QQ/1ETT-4QQ_ligand.pdbqt | data/1E/1ETT-4QQ/1ETT-4QQ_target.pdbqt | data/1E/1ETT-4QQ/1ETT-4QQ_decoys.pdbqt | data/1E/1ETT-4QQ/1ETT-4QQ_decoy_scores.csv |
1E9C-TMP | data/1E/1E9C-TMP/1E9C-TMP_ligand.pdbqt | data/1E/1E9C-TMP/1E9C-TMP_target.pdbqt | data/1E/1E9C-TMP/1E9C-TMP_decoys.pdbqt | data/1E/1E9C-TMP/1E9C-TMP_decoy_scores.csv |
1EWO-VSC | data/1E/1EWO-VSC/1EWO-VSC_ligand.pdbqt | data/1E/1EWO-VSC/1EWO-VSC_target.pdbqt | data/1E/1EWO-VSC/1EWO-VSC_decoys.pdbqt | data/1E/1EWO-VSC/1EWO-VSC_decoy_scores.csv |
1E56-BGC | data/1E/1E56-BGC/1E56-BGC_ligand.pdbqt | data/1E/1E56-BGC/1E56-BGC_target.pdbqt | data/1E/1E56-BGC/1E56-BGC_decoys.pdbqt | data/1E/1E56-BGC/1E56-BGC_decoy_scores.csv |
1EWM-RL2 | data/1E/1EWM-RL2/1EWM-RL2_ligand.pdbqt | data/1E/1EWM-RL2/1EWM-RL2_target.pdbqt | data/1E/1EWM-RL2/1EWM-RL2_decoys.pdbqt | data/1E/1EWM-RL2/1EWM-RL2_decoy_scores.csv |
1E99-ADP | data/1E/1E99-ADP/1E99-ADP_ligand.pdbqt | data/1E/1E99-ADP/1E99-ADP_target.pdbqt | data/1E/1E99-ADP/1E99-ADP_decoys.pdbqt | data/1E/1E99-ADP/1E99-ADP_decoy_scores.csv |
1ECC-PCP | data/1E/1ECC-PCP/1ECC-PCP_ligand.pdbqt | data/1E/1ECC-PCP/1ECC-PCP_target.pdbqt | data/1E/1ECC-PCP/1ECC-PCP_decoys.pdbqt | data/1E/1ECC-PCP/1ECC-PCP_decoy_scores.csv |
1E7E-DKA | data/1E/1E7E-DKA/1E7E-DKA_ligand.pdbqt | data/1E/1E7E-DKA/1E7E-DKA_target.pdbqt | data/1E/1E7E-DKA/1E7E-DKA_decoys.pdbqt | data/1E/1E7E-DKA/1E7E-DKA_decoy_scores.csv |
1E92-HBI | data/1E/1E92-HBI/1E92-HBI_ligand.pdbqt | data/1E/1E92-HBI/1E92-HBI_target.pdbqt | data/1E/1E92-HBI/1E92-HBI_decoys.pdbqt | data/1E/1E92-HBI/1E92-HBI_decoy_scores.csv |
6V74-FBP | data/6V/6V74-FBP/6V74-FBP_ligand.pdbqt | data/6V/6V74-FBP/6V74-FBP_target.pdbqt | data/6V/6V74-FBP/6V74-FBP_decoys.pdbqt | data/6V/6V74-FBP/6V74-FBP_decoy_scores.csv |
6VV1-RMJ | data/6V/6VV1-RMJ/6VV1-RMJ_ligand.pdbqt | data/6V/6VV1-RMJ/6VV1-RMJ_target.pdbqt | data/6V/6VV1-RMJ/6VV1-RMJ_decoys.pdbqt | data/6V/6VV1-RMJ/6VV1-RMJ_decoy_scores.csv |
6VS6-RKV | data/6V/6VS6-RKV/6VS6-RKV_ligand.pdbqt | data/6V/6VS6-RKV/6VS6-RKV_target.pdbqt | data/6V/6VS6-RKV/6VS6-RKV_decoys.pdbqt | data/6V/6VS6-RKV/6VS6-RKV_decoy_scores.csv |
6V6O-QQM | data/6V/6V6O-QQM/6V6O-QQM_ligand.pdbqt | data/6V/6V6O-QQM/6V6O-QQM_target.pdbqt | data/6V/6V6O-QQM/6V6O-QQM_decoys.pdbqt | data/6V/6V6O-QQM/6V6O-QQM_decoy_scores.csv |
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