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 ⌀ |
|---|---|---|---|---|
4DLZ-GNP | data/4D/4DLZ-GNP/4DLZ-GNP_ligand.pdbqt | data/4D/4DLZ-GNP/4DLZ-GNP_target.pdbqt | data/4D/4DLZ-GNP/4DLZ-GNP_decoys.pdbqt | data/4D/4DLZ-GNP/4DLZ-GNP_decoy_scores.csv |
4DEL-PGH | data/4D/4DEL-PGH/4DEL-PGH_ligand.pdbqt | data/4D/4DEL-PGH/4DEL-PGH_target.pdbqt | data/4D/4DEL-PGH/4DEL-PGH_decoys.pdbqt | data/4D/4DEL-PGH/4DEL-PGH_decoy_scores.csv |
4DDS-0J7 | data/4D/4DDS-0J7/4DDS-0J7_ligand.pdbqt | data/4D/4DDS-0J7/4DDS-0J7_target.pdbqt | data/4D/4DDS-0J7/4DDS-0J7_decoys.pdbqt | data/4D/4DDS-0J7/4DDS-0J7_decoy_scores.csv |
4DLT-GNP | data/4D/4DLT-GNP/4DLT-GNP_ligand.pdbqt | data/4D/4DLT-GNP/4DLT-GNP_target.pdbqt | data/4D/4DLT-GNP/4DLT-GNP_decoys.pdbqt | data/4D/4DLT-GNP/4DLT-GNP_decoy_scores.csv |
4DL9-NAD | data/4D/4DL9-NAD/4DL9-NAD_ligand.pdbqt | data/4D/4DL9-NAD/4DL9-NAD_target.pdbqt | data/4D/4DL9-NAD/4DL9-NAD_decoys.pdbqt | data/4D/4DL9-NAD/4DL9-NAD_decoy_scores.csv |
4DUK-BZS | data/4D/4DUK-BZS/4DUK-BZS_ligand.pdbqt | data/4D/4DUK-BZS/4DUK-BZS_target.pdbqt | data/4D/4DUK-BZS/4DUK-BZS_decoys.pdbqt | data/4D/4DUK-BZS/4DUK-BZS_decoy_scores.csv |
4DAI-0J5 | data/4D/4DAI-0J5/4DAI-0J5_ligand.pdbqt | data/4D/4DAI-0J5/4DAI-0J5_target.pdbqt | data/4D/4DAI-0J5/4DAI-0J5_decoys.pdbqt | data/4D/4DAI-0J5/4DAI-0J5_decoy_scores.csv |
4D75-PK9 | data/4D/4D75-PK9/4D75-PK9_ligand.pdbqt | data/4D/4D75-PK9/4D75-PK9_target.pdbqt | data/4D/4D75-PK9/4D75-PK9_decoys.pdbqt | data/4D/4D75-PK9/4D75-PK9_decoy_scores.csv |
4DSC-A8S | data/4D/4DSC-A8S/4DSC-A8S_ligand.pdbqt | data/4D/4DSC-A8S/4DSC-A8S_target.pdbqt | data/4D/4DSC-A8S/4DSC-A8S_decoys.pdbqt | data/4D/4DSC-A8S/4DSC-A8S_decoy_scores.csv |
4D65-LDA | data/4D/4D65-LDA/4D65-LDA_ligand.pdbqt | data/4D/4D65-LDA/4D65-LDA_target.pdbqt | data/4D/4D65-LDA/4D65-LDA_decoys.pdbqt | data/4D/4D65-LDA/4D65-LDA_decoy_scores.csv |
1EEI-GAA | data/1E/1EEI-GAA/1EEI-GAA_ligand.pdbqt | data/1E/1EEI-GAA/1EEI-GAA_target.pdbqt | data/1E/1EEI-GAA/1EEI-GAA_decoys.pdbqt | data/1E/1EEI-GAA/1EEI-GAA_decoy_scores.csv |
1EXX-LMU | data/1E/1EXX-LMU/1EXX-LMU_ligand.pdbqt | data/1E/1EXX-LMU/1EXX-LMU_target.pdbqt | data/1E/1EXX-LMU/1EXX-LMU_decoys.pdbqt | data/1E/1EXX-LMU/1EXX-LMU_decoy_scores.csv |
1E4E-PHY | data/1E/1E4E-PHY/1E4E-PHY_ligand.pdbqt | data/1E/1E4E-PHY/1E4E-PHY_target.pdbqt | data/1E/1E4E-PHY/1E4E-PHY_decoys.pdbqt | data/1E/1E4E-PHY/1E4E-PHY_decoy_scores.csv |
1EPB-9CR | data/1E/1EPB-9CR/1EPB-9CR_ligand.pdbqt | data/1E/1EPB-9CR/1EPB-9CR_target.pdbqt | data/1E/1EPB-9CR/1EPB-9CR_decoys.pdbqt | data/1E/1EPB-9CR/1EPB-9CR_decoy_scores.csv |
1ELB-0Z4 | data/1E/1ELB-0Z4/1ELB-0Z4_ligand.pdbqt | data/1E/1ELB-0Z4/1ELB-0Z4_target.pdbqt | data/1E/1ELB-0Z4/1ELB-0Z4_decoys.pdbqt | data/1E/1ELB-0Z4/1ELB-0Z4_decoy_scores.csv |
1ESQ-TZP | data/1E/1ESQ-TZP/1ESQ-TZP_ligand.pdbqt | data/1E/1ESQ-TZP/1ESQ-TZP_target.pdbqt | data/1E/1ESQ-TZP/1ESQ-TZP_decoys.pdbqt | data/1E/1ESQ-TZP/1ESQ-TZP_decoy_scores.csv |
1ESV-LAR | data/1E/1ESV-LAR/1ESV-LAR_ligand.pdbqt | data/1E/1ESV-LAR/1ESV-LAR_target.pdbqt | data/1E/1ESV-LAR/1ESV-LAR_decoys.pdbqt | data/1E/1ESV-LAR/1ESV-LAR_decoy_scores.csv |
1E2P-CCV | data/1E/1E2P-CCV/1E2P-CCV_ligand.pdbqt | data/1E/1E2P-CCV/1E2P-CCV_target.pdbqt | data/1E/1E2P-CCV/1E2P-CCV_decoys.pdbqt | data/1E/1E2P-CCV/1E2P-CCV_decoy_scores.csv |
1EBZ-BEC | data/1E/1EBZ-BEC/1EBZ-BEC_ligand.pdbqt | data/1E/1EBZ-BEC/1EBZ-BEC_target.pdbqt | data/1E/1EBZ-BEC/1EBZ-BEC_decoys.pdbqt | data/1E/1EBZ-BEC/1EBZ-BEC_decoy_scores.csv |
1EPZ-TYD | data/1E/1EPZ-TYD/1EPZ-TYD_ligand.pdbqt | data/1E/1EPZ-TYD/1EPZ-TYD_target.pdbqt | data/1E/1EPZ-TYD/1EPZ-TYD_decoys.pdbqt | data/1E/1EPZ-TYD/1EPZ-TYD_decoy_scores.csv |
1E98-ATM | data/1E/1E98-ATM/1E98-ATM_ligand.pdbqt | data/1E/1E98-ATM/1E98-ATM_target.pdbqt | data/1E/1E98-ATM/1E98-ATM_decoys.pdbqt | data/1E/1E98-ATM/1E98-ATM_decoy_scores.csv |
1ENO-NAD | data/1E/1ENO-NAD/1ENO-NAD_ligand.pdbqt | data/1E/1ENO-NAD/1ENO-NAD_target.pdbqt | data/1E/1ENO-NAD/1ENO-NAD_decoys.pdbqt | data/1E/1ENO-NAD/1ENO-NAD_decoy_scores.csv |
1EB2-BPO | data/1E/1EB2-BPO/1EB2-BPO_ligand.pdbqt | data/1E/1EB2-BPO/1EB2-BPO_target.pdbqt | data/1E/1EB2-BPO/1EB2-BPO_decoys.pdbqt | data/1E/1EB2-BPO/1EB2-BPO_decoy_scores.csv |
1E4N-HBO | data/1E/1E4N-HBO/1E4N-HBO_ligand.pdbqt | data/1E/1E4N-HBO/1E4N-HBO_target.pdbqt | data/1E/1E4N-HBO/1E4N-HBO_decoys.pdbqt | data/1E/1E4N-HBO/1E4N-HBO_decoy_scores.csv |
1EXA-394 | data/1E/1EXA-394/1EXA-394_ligand.pdbqt | data/1E/1EXA-394/1EXA-394_target.pdbqt | data/1E/1EXA-394/1EXA-394_decoys.pdbqt | data/1E/1EXA-394/1EXA-394_decoy_scores.csv |
1EIR-BPY | data/1E/1EIR-BPY/1EIR-BPY_ligand.pdbqt | data/1E/1EIR-BPY/1EIR-BPY_target.pdbqt | data/1E/1EIR-BPY/1EIR-BPY_decoys.pdbqt | data/1E/1EIR-BPY/1EIR-BPY_decoy_scores.csv |
1EQC-CTS | data/1E/1EQC-CTS/1EQC-CTS_ligand.pdbqt | data/1E/1EQC-CTS/1EQC-CTS_target.pdbqt | data/1E/1EQC-CTS/1EQC-CTS_decoys.pdbqt | data/1E/1EQC-CTS/1EQC-CTS_decoy_scores.csv |
1EZQ-RPR | data/1E/1EZQ-RPR/1EZQ-RPR_ligand.pdbqt | data/1E/1EZQ-RPR/1EZQ-RPR_target.pdbqt | data/1E/1EZQ-RPR/1EZQ-RPR_decoys.pdbqt | data/1E/1EZQ-RPR/1EZQ-RPR_decoy_scores.csv |
1E2G-TYD | data/1E/1E2G-TYD/1E2G-TYD_ligand.pdbqt | data/1E/1E2G-TYD/1E2G-TYD_target.pdbqt | data/1E/1E2G-TYD/1E2G-TYD_decoys.pdbqt | data/1E/1E2G-TYD/1E2G-TYD_decoy_scores.csv |
1ECF-PIN | data/1E/1ECF-PIN/1ECF-PIN_ligand.pdbqt | data/1E/1ECF-PIN/1ECF-PIN_target.pdbqt | data/1E/1ECF-PIN/1ECF-PIN_decoys.pdbqt | data/1E/1ECF-PIN/1ECF-PIN_decoy_scores.csv |
1EYZ-ANP | data/1E/1EYZ-ANP/1EYZ-ANP_ligand.pdbqt | data/1E/1EYZ-ANP/1EYZ-ANP_target.pdbqt | data/1E/1EYZ-ANP/1EYZ-ANP_decoys.pdbqt | data/1E/1EYZ-ANP/1EYZ-ANP_decoy_scores.csv |
1EHI-PHY | data/1E/1EHI-PHY/1EHI-PHY_ligand.pdbqt | data/1E/1EHI-PHY/1EHI-PHY_target.pdbqt | data/1E/1EHI-PHY/1EHI-PHY_decoys.pdbqt | data/1E/1EHI-PHY/1EHI-PHY_decoy_scores.csv |
1E35-TPX | data/1E/1E35-TPX/1E35-TPX_ligand.pdbqt | data/1E/1E35-TPX/1E35-TPX_target.pdbqt | data/1E/1E35-TPX/1E35-TPX_decoys.pdbqt | data/1E/1E35-TPX/1E35-TPX_decoy_scores.csv |
1E2D-ADP | data/1E/1E2D-ADP/1E2D-ADP_ligand.pdbqt | data/1E/1E2D-ADP/1E2D-ADP_target.pdbqt | data/1E/1E2D-ADP/1E2D-ADP_decoys.pdbqt | data/1E/1E2D-ADP/1E2D-ADP_decoy_scores.csv |
1E4H-PBR | data/1E/1E4H-PBR/1E4H-PBR_ligand.pdbqt | data/1E/1E4H-PBR/1E4H-PBR_target.pdbqt | data/1E/1E4H-PBR/1E4H-PBR_decoys.pdbqt | data/1E/1E4H-PBR/1E4H-PBR_decoy_scores.csv |
1E79-ATP | data/1E/1E79-ATP/1E79-ATP_ligand.pdbqt | data/1E/1E79-ATP/1E79-ATP_target.pdbqt | data/1E/1E79-ATP/1E79-ATP_decoys.pdbqt | data/1E/1E79-ATP/1E79-ATP_decoy_scores.csv |
1EG2-MTA | data/1E/1EG2-MTA/1EG2-MTA_ligand.pdbqt | data/1E/1EG2-MTA/1EG2-MTA_target.pdbqt | data/1E/1EG2-MTA/1EG2-MTA_decoys.pdbqt | data/1E/1EG2-MTA/1EG2-MTA_decoy_scores.csv |
1EP3-FMN | data/1E/1EP3-FMN/1EP3-FMN_ligand.pdbqt | data/1E/1EP3-FMN/1EP3-FMN_target.pdbqt | data/1E/1EP3-FMN/1EP3-FMN_decoys.pdbqt | data/1E/1EP3-FMN/1EP3-FMN_decoy_scores.csv |
1EBF-NAD | data/1E/1EBF-NAD/1EBF-NAD_ligand.pdbqt | data/1E/1EBF-NAD/1EBF-NAD_target.pdbqt | data/1E/1EBF-NAD/1EBF-NAD_decoys.pdbqt | data/1E/1EBF-NAD/1EBF-NAD_decoy_scores.csv |
1EZV-UQ6 | data/1E/1EZV-UQ6/1EZV-UQ6_ligand.pdbqt | data/1E/1EZV-UQ6/1EZV-UQ6_target.pdbqt | data/1E/1EZV-UQ6/1EZV-UQ6_decoys.pdbqt | data/1E/1EZV-UQ6/1EZV-UQ6_decoy_scores.csv |
1EYQ-NAR | data/1E/1EYQ-NAR/1EYQ-NAR_ligand.pdbqt | data/1E/1EYQ-NAR/1EYQ-NAR_target.pdbqt | data/1E/1EYQ-NAR/1EYQ-NAR_decoys.pdbqt | data/1E/1EYQ-NAR/1EYQ-NAR_decoy_scores.csv |
1E7A-PFL | data/1E/1E7A-PFL/1E7A-PFL_ligand.pdbqt | data/1E/1E7A-PFL/1E7A-PFL_target.pdbqt | data/1E/1E7A-PFL/1E7A-PFL_decoys.pdbqt | data/1E/1E7A-PFL/1E7A-PFL_decoy_scores.csv |
1EST-TSU | data/1E/1EST-TSU/1EST-TSU_ligand.pdbqt | data/1E/1EST-TSU/1EST-TSU_target.pdbqt | data/1E/1EST-TSU/1EST-TSU_decoys.pdbqt | data/1E/1EST-TSU/1EST-TSU_decoy_scores.csv |
1E9B-ADP | data/1E/1E9B-ADP/1E9B-ADP_ligand.pdbqt | data/1E/1E9B-ADP/1E9B-ADP_target.pdbqt | data/1E/1E9B-ADP/1E9B-ADP_decoys.pdbqt | data/1E/1E9B-ADP/1E9B-ADP_decoy_scores.csv |
1EZF-IN0 | data/1E/1EZF-IN0/1EZF-IN0_ligand.pdbqt | data/1E/1EZF-IN0/1EZF-IN0_target.pdbqt | data/1E/1EZF-IN0/1EZF-IN0_decoys.pdbqt | data/1E/1EZF-IN0/1EZF-IN0_decoy_scores.csv |
1EEF-I06 | data/1E/1EEF-I06/1EEF-I06_ligand.pdbqt | data/1E/1EEF-I06/1EEF-I06_target.pdbqt | data/1E/1EEF-I06/1EEF-I06_decoys.pdbqt | data/1E/1EEF-I06/1EEF-I06_decoy_scores.csv |
1ESQ-ATP | data/1E/1ESQ-ATP/1ESQ-ATP_ligand.pdbqt | data/1E/1ESQ-ATP/1ESQ-ATP_target.pdbqt | data/1E/1ESQ-ATP/1ESQ-ATP_decoys.pdbqt | data/1E/1ESQ-ATP/1ESQ-ATP_decoy_scores.csv |
1E2J-THM | data/1E/1E2J-THM/1E2J-THM_ligand.pdbqt | data/1E/1E2J-THM/1E2J-THM_target.pdbqt | data/1E/1E2J-THM/1E2J-THM_decoys.pdbqt | data/1E/1E2J-THM/1E2J-THM_decoy_scores.csv |
1E24-LYS | data/1E/1E24-LYS/1E24-LYS_ligand.pdbqt | data/1E/1E24-LYS/1E24-LYS_target.pdbqt | data/1E/1E24-LYS/1E24-LYS_decoys.pdbqt | data/1E/1E24-LYS/1E24-LYS_decoy_scores.csv |
1E9C-ANP | data/1E/1E9C-ANP/1E9C-ANP_ligand.pdbqt | data/1E/1E9C-ANP/1E9C-ANP_target.pdbqt | data/1E/1E9C-ANP/1E9C-ANP_decoys.pdbqt | data/1E/1E9C-ANP/1E9C-ANP_decoy_scores.csv |
1EK6-UPG | data/1E/1EK6-UPG/1EK6-UPG_ligand.pdbqt | data/1E/1EK6-UPG/1EK6-UPG_target.pdbqt | data/1E/1EK6-UPG/1EK6-UPG_decoys.pdbqt | data/1E/1EK6-UPG/1EK6-UPG_decoy_scores.csv |
1E2F-ANP | data/1E/1E2F-ANP/1E2F-ANP_ligand.pdbqt | data/1E/1E2F-ANP/1E2F-ANP_target.pdbqt | data/1E/1E2F-ANP/1E2F-ANP_decoys.pdbqt | data/1E/1E2F-ANP/1E2F-ANP_decoy_scores.csv |
1EHK-BNG | data/1E/1EHK-BNG/1EHK-BNG_ligand.pdbqt | data/1E/1EHK-BNG/1EHK-BNG_target.pdbqt | data/1E/1EHK-BNG/1EHK-BNG_decoys.pdbqt | data/1E/1EHK-BNG/1EHK-BNG_decoy_scores.csv |
1E1Y-GLC | data/1E/1E1Y-GLC/1E1Y-GLC_ligand.pdbqt | data/1E/1E1Y-GLC/1E1Y-GLC_target.pdbqt | data/1E/1E1Y-GLC/1E1Y-GLC_decoys.pdbqt | data/1E/1E1Y-GLC/1E1Y-GLC_decoy_scores.csv |
1E8G-FCR | data/1E/1E8G-FCR/1E8G-FCR_ligand.pdbqt | data/1E/1E8G-FCR/1E8G-FCR_target.pdbqt | data/1E/1E8G-FCR/1E8G-FCR_decoys.pdbqt | data/1E/1E8G-FCR/1E8G-FCR_decoy_scores.csv |
1E06-IPB | data/1E/1E06-IPB/1E06-IPB_ligand.pdbqt | data/1E/1E06-IPB/1E06-IPB_target.pdbqt | data/1E/1E06-IPB/1E06-IPB_decoys.pdbqt | data/1E/1E06-IPB/1E06-IPB_decoy_scores.csv |
1E1R-ADP | data/1E/1E1R-ADP/1E1R-ADP_ligand.pdbqt | data/1E/1E1R-ADP/1E1R-ADP_target.pdbqt | null | null |
1EJH-M7G | data/1E/1EJH-M7G/1EJH-M7G_ligand.pdbqt | data/1E/1EJH-M7G/1EJH-M7G_target.pdbqt | data/1E/1EJH-M7G/1EJH-M7G_decoys.pdbqt | data/1E/1EJH-M7G/1EJH-M7G_decoy_scores.csv |
1E8M-P0H | data/1E/1E8M-P0H/1E8M-P0H_ligand.pdbqt | data/1E/1E8M-P0H/1E8M-P0H_target.pdbqt | data/1E/1E8M-P0H/1E8M-P0H_decoys.pdbqt | data/1E/1E8M-P0H/1E8M-P0H_decoy_scores.csv |
1ECQ-DXG | data/1E/1ECQ-DXG/1ECQ-DXG_ligand.pdbqt | data/1E/1ECQ-DXG/1ECQ-DXG_target.pdbqt | data/1E/1ECQ-DXG/1ECQ-DXG_decoys.pdbqt | data/1E/1ECQ-DXG/1ECQ-DXG_decoy_scores.csv |
1ESV-ATP | data/1E/1ESV-ATP/1ESV-ATP_ligand.pdbqt | data/1E/1ESV-ATP/1ESV-ATP_target.pdbqt | data/1E/1ESV-ATP/1ESV-ATP_decoys.pdbqt | data/1E/1ESV-ATP/1ESV-ATP_decoy_scores.csv |
1EA1-TPF | data/1E/1EA1-TPF/1EA1-TPF_ligand.pdbqt | data/1E/1EA1-TPF/1EA1-TPF_target.pdbqt | data/1E/1EA1-TPF/1EA1-TPF_decoys.pdbqt | data/1E/1EA1-TPF/1EA1-TPF_decoy_scores.csv |
1EJ4-M7G | data/1E/1EJ4-M7G/1EJ4-M7G_ligand.pdbqt | data/1E/1EJ4-M7G/1EJ4-M7G_target.pdbqt | data/1E/1EJ4-M7G/1EJ4-M7G_decoys.pdbqt | data/1E/1EJ4-M7G/1EJ4-M7G_decoy_scores.csv |
1E2Q-TMP | data/1E/1E2Q-TMP/1E2Q-TMP_ligand.pdbqt | data/1E/1E2Q-TMP/1E2Q-TMP_target.pdbqt | data/1E/1E2Q-TMP/1E2Q-TMP_decoys.pdbqt | data/1E/1E2Q-TMP/1E2Q-TMP_decoy_scores.csv |
1E2E-TMP | data/1E/1E2E-TMP/1E2E-TMP_ligand.pdbqt | data/1E/1E2E-TMP/1E2E-TMP_target.pdbqt | null | null |
1E20-FMN | data/1E/1E20-FMN/1E20-FMN_ligand.pdbqt | data/1E/1E20-FMN/1E20-FMN_target.pdbqt | data/1E/1E20-FMN/1E20-FMN_decoys.pdbqt | data/1E/1E20-FMN/1E20-FMN_decoy_scores.csv |
1E38-TPY | data/1E/1E38-TPY/1E38-TPY_ligand.pdbqt | data/1E/1E38-TPY/1E38-TPY_target.pdbqt | data/1E/1E38-TPY/1E38-TPY_decoys.pdbqt | data/1E/1E38-TPY/1E38-TPY_decoy_scores.csv |
1E79-DCW | data/1E/1E79-DCW/1E79-DCW_ligand.pdbqt | data/1E/1E79-DCW/1E79-DCW_target.pdbqt | data/1E/1E79-DCW/1E79-DCW_decoys.pdbqt | data/1E/1E79-DCW/1E79-DCW_decoy_scores.csv |
1E55-BGC | data/1E/1E55-BGC/1E55-BGC_ligand.pdbqt | data/1E/1E55-BGC/1E55-BGC_target.pdbqt | data/1E/1E55-BGC/1E55-BGC_decoys.pdbqt | data/1E/1E55-BGC/1E55-BGC_decoy_scores.csv |
1EIX-BMQ | data/1E/1EIX-BMQ/1EIX-BMQ_ligand.pdbqt | data/1E/1EIX-BMQ/1EIX-BMQ_target.pdbqt | data/1E/1EIX-BMQ/1EIX-BMQ_decoys.pdbqt | data/1E/1EIX-BMQ/1EIX-BMQ_decoy_scores.csv |
1E1O-LYS | data/1E/1E1O-LYS/1E1O-LYS_ligand.pdbqt | data/1E/1E1O-LYS/1E1O-LYS_target.pdbqt | data/1E/1E1O-LYS/1E1O-LYS_decoys.pdbqt | data/1E/1E1O-LYS/1E1O-LYS_decoy_scores.csv |
1EU1-GLC | data/1E/1EU1-GLC/1EU1-GLC_ligand.pdbqt | data/1E/1EU1-GLC/1EU1-GLC_target.pdbqt | null | null |
1E9D-ADP | data/1E/1E9D-ADP/1E9D-ADP_ligand.pdbqt | data/1E/1E9D-ADP/1E9D-ADP_target.pdbqt | data/1E/1E9D-ADP/1E9D-ADP_decoys.pdbqt | data/1E/1E9D-ADP/1E9D-ADP_decoy_scores.csv |
1EXX-961 | data/1E/1EXX-961/1EXX-961_ligand.pdbqt | data/1E/1EXX-961/1EXX-961_target.pdbqt | data/1E/1EXX-961/1EXX-961_decoys.pdbqt | data/1E/1EXX-961/1EXX-961_decoy_scores.csv |
1EYS-PEF | data/1E/1EYS-PEF/1EYS-PEF_ligand.pdbqt | data/1E/1EYS-PEF/1EYS-PEF_target.pdbqt | data/1E/1EYS-PEF/1EYS-PEF_decoys.pdbqt | data/1E/1EYS-PEF/1EYS-PEF_decoy_scores.csv |
1EYS-LDA | data/1E/1EYS-LDA/1EYS-LDA_ligand.pdbqt | data/1E/1EYS-LDA/1EYS-LDA_target.pdbqt | data/1E/1EYS-LDA/1EYS-LDA_decoys.pdbqt | data/1E/1EYS-LDA/1EYS-LDA_decoy_scores.csv |
1E0P-RET | data/1E/1E0P-RET/1E0P-RET_ligand.pdbqt | data/1E/1E0P-RET/1E0P-RET_target.pdbqt | data/1E/1E0P-RET/1E0P-RET_decoys.pdbqt | data/1E/1E0P-RET/1E0P-RET_decoy_scores.csv |
1E7V-LY2 | data/1E/1E7V-LY2/1E7V-LY2_ligand.pdbqt | data/1E/1E7V-LY2/1E7V-LY2_target.pdbqt | data/1E/1E7V-LY2/1E7V-LY2_decoys.pdbqt | data/1E/1E7V-LY2/1E7V-LY2_decoy_scores.csv |
1EV9-GTS | data/1E/1EV9-GTS/1EV9-GTS_ligand.pdbqt | data/1E/1EV9-GTS/1EV9-GTS_target.pdbqt | data/1E/1EV9-GTS/1EV9-GTS_decoys.pdbqt | data/1E/1EV9-GTS/1EV9-GTS_decoy_scores.csv |
1E37-TPY | data/1E/1E37-TPY/1E37-TPY_ligand.pdbqt | data/1E/1E37-TPY/1E37-TPY_target.pdbqt | data/1E/1E37-TPY/1E37-TPY_decoys.pdbqt | data/1E/1E37-TPY/1E37-TPY_decoy_scores.csv |
1E3R-AND | data/1E/1E3R-AND/1E3R-AND_ligand.pdbqt | data/1E/1E3R-AND/1E3R-AND_target.pdbqt | data/1E/1E3R-AND/1E3R-AND_decoys.pdbqt | data/1E/1E3R-AND/1E3R-AND_decoy_scores.csv |
1E6W-EST | data/1E/1E6W-EST/1E6W-EST_ligand.pdbqt | data/1E/1E6W-EST/1E6W-EST_target.pdbqt | data/1E/1E6W-EST/1E6W-EST_decoys.pdbqt | data/1E/1E6W-EST/1E6W-EST_decoy_scores.csv |
1EP2-ORO | data/1E/1EP2-ORO/1EP2-ORO_ligand.pdbqt | data/1E/1EP2-ORO/1EP2-ORO_target.pdbqt | data/1E/1EP2-ORO/1EP2-ORO_decoys.pdbqt | data/1E/1EP2-ORO/1EP2-ORO_decoy_scores.csv |
1E2Q-ATP | data/1E/1E2Q-ATP/1E2Q-ATP_ligand.pdbqt | data/1E/1E2Q-ATP/1E2Q-ATP_target.pdbqt | data/1E/1E2Q-ATP/1E2Q-ATP_decoys.pdbqt | data/1E/1E2Q-ATP/1E2Q-ATP_decoy_scores.csv |
1EKX-PAL | data/1E/1EKX-PAL/1EKX-PAL_ligand.pdbqt | data/1E/1EKX-PAL/1EKX-PAL_target.pdbqt | data/1E/1EKX-PAL/1EKX-PAL_decoys.pdbqt | data/1E/1EKX-PAL/1EKX-PAL_decoy_scores.csv |
1EIZ-SAM | data/1E/1EIZ-SAM/1EIZ-SAM_ligand.pdbqt | data/1E/1EIZ-SAM/1EIZ-SAM_target.pdbqt | data/1E/1EIZ-SAM/1EIZ-SAM_decoys.pdbqt | data/1E/1EIZ-SAM/1EIZ-SAM_decoy_scores.csv |
1E2I-ARP | data/1E/1E2I-ARP/1E2I-ARP_ligand.pdbqt | data/1E/1E2I-ARP/1E2I-ARP_target.pdbqt | data/1E/1E2I-ARP/1E2I-ARP_decoys.pdbqt | data/1E/1E2I-ARP/1E2I-ARP_decoy_scores.csv |
1EI1-ANP | data/1E/1EI1-ANP/1EI1-ANP_ligand.pdbqt | data/1E/1EI1-ANP/1EI1-ANP_target.pdbqt | data/1E/1EI1-ANP/1EI1-ANP_decoys.pdbqt | data/1E/1EI1-ANP/1EI1-ANP_decoy_scores.csv |
1ECJ-AMP | data/1E/1ECJ-AMP/1ECJ-AMP_ligand.pdbqt | data/1E/1ECJ-AMP/1ECJ-AMP_target.pdbqt | data/1E/1ECJ-AMP/1ECJ-AMP_decoys.pdbqt | data/1E/1ECJ-AMP/1ECJ-AMP_decoy_scores.csv |
1EAX-BEN | data/1E/1EAX-BEN/1EAX-BEN_ligand.pdbqt | data/1E/1EAX-BEN/1EAX-BEN_target.pdbqt | data/1E/1EAX-BEN/1EAX-BEN_decoys.pdbqt | data/1E/1EAX-BEN/1EAX-BEN_decoy_scores.csv |
1ED6-ILO | data/1E/1ED6-ILO/1ED6-ILO_ligand.pdbqt | data/1E/1ED6-ILO/1ED6-ILO_target.pdbqt | null | null |
1E79-ADP | data/1E/1E79-ADP/1E79-ADP_ligand.pdbqt | data/1E/1E79-ADP/1E79-ADP_target.pdbqt | data/1E/1E79-ADP/1E79-ADP_decoys.pdbqt | data/1E/1E79-ADP/1E79-ADP_decoy_scores.csv |
1EOB-DHB | data/1E/1EOB-DHB/1EOB-DHB_ligand.pdbqt | data/1E/1EOB-DHB/1EOB-DHB_target.pdbqt | data/1E/1EOB-DHB/1EOB-DHB_decoys.pdbqt | data/1E/1EOB-DHB/1EOB-DHB_decoy_scores.csv |
1EC8-GLR | data/1E/1EC8-GLR/1EC8-GLR_ligand.pdbqt | data/1E/1EC8-GLR/1EC8-GLR_target.pdbqt | data/1E/1EC8-GLR/1EC8-GLR_decoys.pdbqt | data/1E/1EC8-GLR/1EC8-GLR_decoy_scores.csv |
1EZ4-NAD | data/1E/1EZ4-NAD/1EZ4-NAD_ligand.pdbqt | data/1E/1EZ4-NAD/1EZ4-NAD_target.pdbqt | data/1E/1EZ4-NAD/1EZ4-NAD_decoys.pdbqt | data/1E/1EZ4-NAD/1EZ4-NAD_decoy_scores.csv |
1E3I-NAI | data/1E/1E3I-NAI/1E3I-NAI_ligand.pdbqt | data/1E/1E3I-NAI/1E3I-NAI_target.pdbqt | data/1E/1E3I-NAI/1E3I-NAI_decoys.pdbqt | data/1E/1E3I-NAI/1E3I-NAI_decoy_scores.csv |
1EYN-2AN | data/1E/1EYN-2AN/1EYN-2AN_ligand.pdbqt | data/1E/1EYN-2AN/1EYN-2AN_target.pdbqt | data/1E/1EYN-2AN/1EYN-2AN_decoys.pdbqt | data/1E/1EYN-2AN/1EYN-2AN_decoy_scores.csv |
1E9D-ATM | data/1E/1E9D-ATM/1E9D-ATM_ligand.pdbqt | data/1E/1E9D-ATM/1E9D-ATM_target.pdbqt | data/1E/1E9D-ATM/1E9D-ATM_decoys.pdbqt | data/1E/1E9D-ATM/1E9D-ATM_decoy_scores.csv |
1EYE-PMM | data/1E/1EYE-PMM/1EYE-PMM_ligand.pdbqt | data/1E/1EYE-PMM/1EYE-PMM_target.pdbqt | data/1E/1EYE-PMM/1EYE-PMM_decoys.pdbqt | data/1E/1EYE-PMM/1EYE-PMM_decoy_scores.csv |
1EQY-ATP | data/1E/1EQY-ATP/1EQY-ATP_ligand.pdbqt | data/1E/1EQY-ATP/1EQY-ATP_target.pdbqt | data/1E/1EQY-ATP/1EQY-ATP_decoys.pdbqt | data/1E/1EQY-ATP/1EQY-ATP_decoy_scores.csv |
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