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 ⌀ |
|---|---|---|---|---|
4G8Y-0FT | data/4G/4G8Y-0FT/4G8Y-0FT_ligand.pdbqt | data/4G/4G8Y-0FT/4G8Y-0FT_target.pdbqt | data/4G/4G8Y-0FT/4G8Y-0FT_decoys.pdbqt | data/4G/4G8Y-0FT/4G8Y-0FT_decoy_scores.csv |
4G16-0VM | data/4G/4G16-0VM/4G16-0VM_ligand.pdbqt | data/4G/4G16-0VM/4G16-0VM_target.pdbqt | data/4G/4G16-0VM/4G16-0VM_decoys.pdbqt | data/4G/4G16-0VM/4G16-0VM_decoy_scores.csv |
4GLQ-VRB | data/4G/4GLQ-VRB/4GLQ-VRB_ligand.pdbqt | data/4G/4GLQ-VRB/4GLQ-VRB_target.pdbqt | data/4G/4GLQ-VRB/4GLQ-VRB_decoys.pdbqt | data/4G/4GLQ-VRB/4GLQ-VRB_decoy_scores.csv |
4GX6-F6P | data/4G/4GX6-F6P/4GX6-F6P_ligand.pdbqt | data/4G/4GX6-F6P/4GX6-F6P_target.pdbqt | data/4G/4GX6-F6P/4GX6-F6P_decoys.pdbqt | data/4G/4GX6-F6P/4GX6-F6P_decoy_scores.csv |
4GJ8-0LW | data/4G/4GJ8-0LW/4GJ8-0LW_ligand.pdbqt | data/4G/4GJ8-0LW/4GJ8-0LW_target.pdbqt | data/4G/4GJ8-0LW/4GJ8-0LW_decoys.pdbqt | data/4G/4GJ8-0LW/4GJ8-0LW_decoy_scores.csv |
4GE1-TSS | data/4G/4GE1-TSS/4GE1-TSS_ligand.pdbqt | data/4G/4GE1-TSS/4GE1-TSS_target.pdbqt | data/4G/4GE1-TSS/4GE1-TSS_decoys.pdbqt | data/4G/4GE1-TSS/4GE1-TSS_decoy_scores.csv |
4GDA-BTN | data/4G/4GDA-BTN/4GDA-BTN_ligand.pdbqt | data/4G/4GDA-BTN/4GDA-BTN_target.pdbqt | data/4G/4GDA-BTN/4GDA-BTN_decoys.pdbqt | data/4G/4GDA-BTN/4GDA-BTN_decoy_scores.csv |
4GHH-P6G | data/4G/4GHH-P6G/4GHH-P6G_ligand.pdbqt | data/4G/4GHH-P6G/4GHH-P6G_target.pdbqt | data/4G/4GHH-P6G/4GHH-P6G_decoys.pdbqt | data/4G/4GHH-P6G/4GHH-P6G_decoy_scores.csv |
4GNQ-GTP | data/4G/4GNQ-GTP/4GNQ-GTP_ligand.pdbqt | data/4G/4GNQ-GTP/4GNQ-GTP_target.pdbqt | data/4G/4GNQ-GTP/4GNQ-GTP_decoys.pdbqt | data/4G/4GNQ-GTP/4GNQ-GTP_decoy_scores.csv |
4GWE-07V | data/4G/4GWE-07V/4GWE-07V_ligand.pdbqt | data/4G/4GWE-07V/4GWE-07V_target.pdbqt | data/4G/4GWE-07V/4GWE-07V_decoys.pdbqt | data/4G/4GWE-07V/4GWE-07V_decoy_scores.csv |
4G4S-LDZ | data/4G/4G4S-LDZ/4G4S-LDZ_ligand.pdbqt | data/4G/4G4S-LDZ/4G4S-LDZ_target.pdbqt | data/4G/4G4S-LDZ/4G4S-LDZ_decoys.pdbqt | data/4G/4G4S-LDZ/4G4S-LDZ_decoy_scores.csv |
4GH2-HK0 | data/4G/4GH2-HK0/4GH2-HK0_ligand.pdbqt | data/4G/4GH2-HK0/4GH2-HK0_target.pdbqt | data/4G/4GH2-HK0/4GH2-HK0_decoys.pdbqt | data/4G/4GH2-HK0/4GH2-HK0_decoy_scores.csv |
4GEB-0LD | data/4G/4GEB-0LD/4GEB-0LD_ligand.pdbqt | data/4G/4GEB-0LD/4GEB-0LD_target.pdbqt | data/4G/4GEB-0LD/4GEB-0LD_decoys.pdbqt | data/4G/4GEB-0LD/4GEB-0LD_decoy_scores.csv |
4G7S-OLC | data/4G/4G7S-OLC/4G7S-OLC_ligand.pdbqt | data/4G/4G7S-OLC/4G7S-OLC_target.pdbqt | data/4G/4G7S-OLC/4G7S-OLC_decoys.pdbqt | data/4G/4G7S-OLC/4G7S-OLC_decoy_scores.csv |
4GQI-M49 | data/4G/4GQI-M49/4GQI-M49_ligand.pdbqt | data/4G/4GQI-M49/4GQI-M49_target.pdbqt | data/4G/4GQI-M49/4GQI-M49_decoys.pdbqt | data/4G/4GQI-M49/4GQI-M49_decoy_scores.csv |
4G1Q-T27 | data/4G/4G1Q-T27/4G1Q-T27_ligand.pdbqt | data/4G/4G1Q-T27/4G1Q-T27_target.pdbqt | data/4G/4G1Q-T27/4G1Q-T27_decoys.pdbqt | data/4G/4G1Q-T27/4G1Q-T27_decoy_scores.csv |
4G9N-NGA | data/4G/4G9N-NGA/4G9N-NGA_ligand.pdbqt | data/4G/4G9N-NGA/4G9N-NGA_target.pdbqt | data/4G/4G9N-NGA/4G9N-NGA_decoys.pdbqt | data/4G/4G9N-NGA/4G9N-NGA_decoy_scores.csv |
4GM0-TZD | data/4G/4GM0-TZD/4GM0-TZD_ligand.pdbqt | data/4G/4GM0-TZD/4GM0-TZD_target.pdbqt | data/4G/4GM0-TZD/4GM0-TZD_decoys.pdbqt | data/4G/4GM0-TZD/4GM0-TZD_decoy_scores.csv |
4GWE-FMN | data/4G/4GWE-FMN/4GWE-FMN_ligand.pdbqt | data/4G/4GWE-FMN/4GWE-FMN_target.pdbqt | data/4G/4GWE-FMN/4GWE-FMN_decoys.pdbqt | data/4G/4GWE-FMN/4GWE-FMN_decoy_scores.csv |
4GJ2-0XH | data/4G/4GJ2-0XH/4GJ2-0XH_ligand.pdbqt | data/4G/4GJ2-0XH/4GJ2-0XH_target.pdbqt | data/4G/4GJ2-0XH/4GJ2-0XH_decoys.pdbqt | data/4G/4GJ2-0XH/4GJ2-0XH_decoy_scores.csv |
4G01-GDP | data/4G/4G01-GDP/4G01-GDP_ligand.pdbqt | data/4G/4G01-GDP/4G01-GDP_target.pdbqt | data/4G/4G01-GDP/4G01-GDP_decoys.pdbqt | data/4G/4G01-GDP/4G01-GDP_decoy_scores.csv |
4G2O-TIY | data/4G/4G2O-TIY/4G2O-TIY_ligand.pdbqt | data/4G/4G2O-TIY/4G2O-TIY_target.pdbqt | data/4G/4G2O-TIY/4G2O-TIY_decoys.pdbqt | data/4G/4G2O-TIY/4G2O-TIY_decoy_scores.csv |
4GQK-ADP | data/4G/4GQK-ADP/4GQK-ADP_ligand.pdbqt | data/4G/4GQK-ADP/4GQK-ADP_target.pdbqt | data/4G/4GQK-ADP/4GQK-ADP_decoys.pdbqt | data/4G/4GQK-ADP/4GQK-ADP_decoy_scores.csv |
4GYC-RET | data/4G/4GYC-RET/4GYC-RET_ligand.pdbqt | data/4G/4GYC-RET/4GYC-RET_target.pdbqt | data/4G/4GYC-RET/4GYC-RET_decoys.pdbqt | data/4G/4GYC-RET/4GYC-RET_decoy_scores.csv |
4GCP-AIC | data/4G/4GCP-AIC/4GCP-AIC_ligand.pdbqt | data/4G/4GCP-AIC/4GCP-AIC_target.pdbqt | data/4G/4GCP-AIC/4GCP-AIC_decoys.pdbqt | data/4G/4GCP-AIC/4GCP-AIC_decoy_scores.csv |
4G87-UD1 | data/4G/4G87-UD1/4G87-UD1_ligand.pdbqt | data/4G/4G87-UD1/4G87-UD1_target.pdbqt | data/4G/4G87-UD1/4G87-UD1_decoys.pdbqt | data/4G/4G87-UD1/4G87-UD1_decoy_scores.csv |
4G90-0G0 | data/4G/4G90-0G0/4G90-0G0_ligand.pdbqt | data/4G/4G90-0G0/4G90-0G0_target.pdbqt | data/4G/4G90-0G0/4G90-0G0_decoys.pdbqt | data/4G/4G90-0G0/4G90-0G0_decoy_scores.csv |
4GZ3-UDP | data/4G/4GZ3-UDP/4GZ3-UDP_ligand.pdbqt | data/4G/4GZ3-UDP/4GZ3-UDP_target.pdbqt | data/4G/4GZ3-UDP/4GZ3-UDP_decoys.pdbqt | data/4G/4GZ3-UDP/4GZ3-UDP_decoy_scores.csv |
4GFM-0X2 | data/4G/4GFM-0X2/4GFM-0X2_ligand.pdbqt | data/4G/4GFM-0X2/4GFM-0X2_target.pdbqt | data/4G/4GFM-0X2/4GFM-0X2_decoys.pdbqt | data/4G/4GFM-0X2/4GFM-0X2_decoy_scores.csv |
4G8N-G8M | data/4G/4G8N-G8M/4G8N-G8M_ligand.pdbqt | data/4G/4G8N-G8M/4G8N-G8M_target.pdbqt | data/4G/4G8N-G8M/4G8N-G8M_decoys.pdbqt | data/4G/4G8N-G8M/4G8N-G8M_decoy_scores.csv |
4GTF-MEF | data/4G/4GTF-MEF/4GTF-MEF_ligand.pdbqt | data/4G/4GTF-MEF/4GTF-MEF_target.pdbqt | data/4G/4GTF-MEF/4GTF-MEF_decoys.pdbqt | data/4G/4GTF-MEF/4GTF-MEF_decoy_scores.csv |
4GW0-ILO | data/4G/4GW0-ILO/4GW0-ILO_ligand.pdbqt | data/4G/4GW0-ILO/4GW0-ILO_target.pdbqt | data/4G/4GW0-ILO/4GW0-ILO_decoys.pdbqt | data/4G/4GW0-ILO/4GW0-ILO_decoy_scores.csv |
4GR5-APC | data/4G/4GR5-APC/4GR5-APC_ligand.pdbqt | data/4G/4GR5-APC/4GR5-APC_target.pdbqt | data/4G/4GR5-APC/4GR5-APC_decoys.pdbqt | data/4G/4GR5-APC/4GR5-APC_decoy_scores.csv |
4GBM-P6G | data/4G/4GBM-P6G/4GBM-P6G_ligand.pdbqt | data/4G/4GBM-P6G/4GBM-P6G_target.pdbqt | data/4G/4GBM-P6G/4GBM-P6G_decoys.pdbqt | data/4G/4GBM-P6G/4GBM-P6G_decoy_scores.csv |
4GEE-0WT | data/4G/4GEE-0WT/4GEE-0WT_ligand.pdbqt | data/4G/4GEE-0WT/4GEE-0WT_target.pdbqt | data/4G/4GEE-0WT/4GEE-0WT_decoys.pdbqt | data/4G/4GEE-0WT/4GEE-0WT_decoy_scores.csv |
4G32-ZPE | data/4G/4G32-ZPE/4G32-ZPE_ligand.pdbqt | data/4G/4G32-ZPE/4G32-ZPE_target.pdbqt | data/4G/4G32-ZPE/4G32-ZPE_decoys.pdbqt | data/4G/4G32-ZPE/4G32-ZPE_decoy_scores.csv |
4GTM-FPP | data/4G/4GTM-FPP/4GTM-FPP_ligand.pdbqt | data/4G/4GTM-FPP/4GTM-FPP_target.pdbqt | data/4G/4GTM-FPP/4GTM-FPP_decoys.pdbqt | data/4G/4GTM-FPP/4GTM-FPP_decoy_scores.csv |
4GBW-AMP | data/4G/4GBW-AMP/4GBW-AMP_ligand.pdbqt | data/4G/4GBW-AMP/4GBW-AMP_target.pdbqt | data/4G/4GBW-AMP/4GBW-AMP_decoys.pdbqt | data/4G/4GBW-AMP/4GBW-AMP_decoy_scores.csv |
4GOM-0Y0 | data/4G/4GOM-0Y0/4GOM-0Y0_ligand.pdbqt | data/4G/4GOM-0Y0/4GOM-0Y0_target.pdbqt | data/4G/4GOM-0Y0/4GOM-0Y0_decoys.pdbqt | data/4G/4GOM-0Y0/4GOM-0Y0_decoy_scores.csv |
4GHM-PRF | data/4G/4GHM-PRF/4GHM-PRF_ligand.pdbqt | data/4G/4GHM-PRF/4GHM-PRF_target.pdbqt | data/4G/4GHM-PRF/4GHM-PRF_decoys.pdbqt | data/4G/4GHM-PRF/4GHM-PRF_decoy_scores.csv |
4GT8-ADP | data/4G/4GT8-ADP/4GT8-ADP_ligand.pdbqt | data/4G/4GT8-ADP/4GT8-ADP_target.pdbqt | data/4G/4GT8-ADP/4GT8-ADP_decoys.pdbqt | data/4G/4GT8-ADP/4GT8-ADP_decoy_scores.csv |
4GTA-UMP | data/4G/4GTA-UMP/4GTA-UMP_ligand.pdbqt | data/4G/4GTA-UMP/4GTA-UMP_target.pdbqt | data/4G/4GTA-UMP/4GTA-UMP_decoys.pdbqt | data/4G/4GTA-UMP/4GTA-UMP_decoy_scores.csv |
7UEC-NAJ | data/7U/7UEC-NAJ/7UEC-NAJ_ligand.pdbqt | data/7U/7UEC-NAJ/7UEC-NAJ_target.pdbqt | data/7U/7UEC-NAJ/7UEC-NAJ_decoys.pdbqt | data/7U/7UEC-NAJ/7UEC-NAJ_decoy_scores.csv |
7UP2-NZR | data/7U/7UP2-NZR/7UP2-NZR_ligand.pdbqt | data/7U/7UP2-NZR/7UP2-NZR_target.pdbqt | data/7U/7UP2-NZR/7UP2-NZR_decoys.pdbqt | data/7U/7UP2-NZR/7UP2-NZR_decoy_scores.csv |
7UOX-O0L | data/7U/7UOX-O0L/7UOX-O0L_ligand.pdbqt | data/7U/7UOX-O0L/7UOX-O0L_target.pdbqt | data/7U/7UOX-O0L/7UOX-O0L_decoys.pdbqt | data/7U/7UOX-O0L/7UOX-O0L_decoy_scores.csv |
7UTZ-Z41 | data/7U/7UTZ-Z41/7UTZ-Z41_ligand.pdbqt | data/7U/7UTZ-Z41/7UTZ-Z41_target.pdbqt | data/7U/7UTZ-Z41/7UTZ-Z41_decoys.pdbqt | data/7U/7UTZ-Z41/7UTZ-Z41_decoy_scores.csv |
7U4N-L8X | data/7U/7U4N-L8X/7U4N-L8X_ligand.pdbqt | data/7U/7U4N-L8X/7U4N-L8X_target.pdbqt | data/7U/7U4N-L8X/7U4N-L8X_decoys.pdbqt | data/7U/7U4N-L8X/7U4N-L8X_decoy_scores.csv |
7UDQ-MVS | data/7U/7UDQ-MVS/7UDQ-MVS_ligand.pdbqt | data/7U/7UDQ-MVS/7UDQ-MVS_target.pdbqt | data/7U/7UDQ-MVS/7UDQ-MVS_decoys.pdbqt | data/7U/7UDQ-MVS/7UDQ-MVS_decoy_scores.csv |
7UFE-NXR | data/7U/7UFE-NXR/7UFE-NXR_ligand.pdbqt | data/7U/7UFE-NXR/7UFE-NXR_target.pdbqt | data/7U/7UFE-NXR/7UFE-NXR_decoys.pdbqt | data/7U/7UFE-NXR/7UFE-NXR_decoy_scores.csv |
7UHK-MX0 | data/7U/7UHK-MX0/7UHK-MX0_ligand.pdbqt | data/7U/7UHK-MX0/7UHK-MX0_target.pdbqt | data/7U/7UHK-MX0/7UHK-MX0_decoys.pdbqt | data/7U/7UHK-MX0/7UHK-MX0_decoy_scores.csv |
7UJM-RL4 | data/7U/7UJM-RL4/7UJM-RL4_ligand.pdbqt | data/7U/7UJM-RL4/7UJM-RL4_target.pdbqt | data/7U/7UJM-RL4/7UJM-RL4_decoys.pdbqt | data/7U/7UJM-RL4/7UJM-RL4_decoy_scores.csv |
7U0M-3KY | data/7U/7U0M-3KY/7U0M-3KY_ligand.pdbqt | data/7U/7U0M-3KY/7U0M-3KY_target.pdbqt | data/7U/7U0M-3KY/7U0M-3KY_decoys.pdbqt | data/7U/7U0M-3KY/7U0M-3KY_decoy_scores.csv |
7UMW-NAD | data/7U/7UMW-NAD/7UMW-NAD_ligand.pdbqt | data/7U/7UMW-NAD/7UMW-NAD_target.pdbqt | data/7U/7UMW-NAD/7UMW-NAD_decoys.pdbqt | data/7U/7UMW-NAD/7UMW-NAD_decoy_scores.csv |
7UYV-OV5 | data/7U/7UYV-OV5/7UYV-OV5_ligand.pdbqt | data/7U/7UYV-OV5/7UYV-OV5_target.pdbqt | data/7U/7UYV-OV5/7UYV-OV5_decoys.pdbqt | data/7U/7UYV-OV5/7UYV-OV5_decoy_scores.csv |
7UF3-N3U | data/7U/7UF3-N3U/7UF3-N3U_ligand.pdbqt | data/7U/7UF3-N3U/7UF3-N3U_target.pdbqt | data/7U/7UF3-N3U/7UF3-N3U_decoys.pdbqt | data/7U/7UF3-N3U/7UF3-N3U_decoy_scores.csv |
7UMW-NUC | data/7U/7UMW-NUC/7UMW-NUC_ligand.pdbqt | data/7U/7UMW-NUC/7UMW-NUC_target.pdbqt | data/7U/7UMW-NUC/7UMW-NUC_decoys.pdbqt | data/7U/7UMW-NUC/7UMW-NUC_decoy_scores.csv |
7UAO-BTB | data/7U/7UAO-BTB/7UAO-BTB_ligand.pdbqt | data/7U/7UAO-BTB/7UAO-BTB_target.pdbqt | null | null |
7UM8-NQF | data/7U/7UM8-NQF/7UM8-NQF_ligand.pdbqt | data/7U/7UM8-NQF/7UM8-NQF_target.pdbqt | data/7U/7UM8-NQF/7UM8-NQF_decoys.pdbqt | data/7U/7UM8-NQF/7UM8-NQF_decoy_scores.csv |
7U62-MOI | data/7U/7U62-MOI/7U62-MOI_ligand.pdbqt | data/7U/7U62-MOI/7U62-MOI_target.pdbqt | data/7U/7U62-MOI/7U62-MOI_decoys.pdbqt | data/7U/7U62-MOI/7U62-MOI_decoy_scores.csv |
7UBY-UPG | data/7U/7UBY-UPG/7UBY-UPG_ligand.pdbqt | data/7U/7UBY-UPG/7UBY-UPG_target.pdbqt | data/7U/7UBY-UPG/7UBY-UPG_decoys.pdbqt | data/7U/7UBY-UPG/7UBY-UPG_decoy_scores.csv |
7UW7-ADP | data/7U/7UW7-ADP/7UW7-ADP_ligand.pdbqt | data/7U/7UW7-ADP/7UW7-ADP_target.pdbqt | data/7U/7UW7-ADP/7UW7-ADP_decoys.pdbqt | data/7U/7UW7-ADP/7UW7-ADP_decoy_scores.csv |
7UEF-NAJ | data/7U/7UEF-NAJ/7UEF-NAJ_ligand.pdbqt | data/7U/7UEF-NAJ/7UEF-NAJ_target.pdbqt | data/7U/7UEF-NAJ/7UEF-NAJ_decoys.pdbqt | data/7U/7UEF-NAJ/7UEF-NAJ_decoy_scores.csv |
7UEJ-NAJ | data/7U/7UEJ-NAJ/7UEJ-NAJ_ligand.pdbqt | data/7U/7UEJ-NAJ/7UEJ-NAJ_target.pdbqt | data/7U/7UEJ-NAJ/7UEJ-NAJ_decoys.pdbqt | data/7U/7UEJ-NAJ/7UEJ-NAJ_decoy_scores.csv |
7UT7-HCA | data/7U/7UT7-HCA/7UT7-HCA_ligand.pdbqt | data/7U/7UT7-HCA/7UT7-HCA_target.pdbqt | null | null |
7UK2-O2L | data/7U/7UK2-O2L/7UK2-O2L_ligand.pdbqt | data/7U/7UK2-O2L/7UK2-O2L_target.pdbqt | data/7U/7UK2-O2L/7UK2-O2L_decoys.pdbqt | data/7U/7UK2-O2L/7UK2-O2L_decoy_scores.csv |
7U3F-L5L | data/7U/7U3F-L5L/7U3F-L5L_ligand.pdbqt | data/7U/7U3F-L5L/7U3F-L5L_target.pdbqt | data/7U/7U3F-L5L/7U3F-L5L_decoys.pdbqt | data/7U/7U3F-L5L/7U3F-L5L_decoy_scores.csv |
7UKV-ZRT | data/7U/7UKV-ZRT/7UKV-ZRT_ligand.pdbqt | data/7U/7UKV-ZRT/7UKV-ZRT_target.pdbqt | data/7U/7UKV-ZRT/7UKV-ZRT_decoys.pdbqt | data/7U/7UKV-ZRT/7UKV-ZRT_decoy_scores.csv |
7U59-LDI | data/7U/7U59-LDI/7U59-LDI_ligand.pdbqt | data/7U/7U59-LDI/7U59-LDI_target.pdbqt | data/7U/7U59-LDI/7U59-LDI_decoys.pdbqt | data/7U/7U59-LDI/7U59-LDI_decoy_scores.csv |
7UEE-PFB | data/7U/7UEE-PFB/7UEE-PFB_ligand.pdbqt | data/7U/7UEE-PFB/7UEE-PFB_target.pdbqt | data/7U/7UEE-PFB/7UEE-PFB_decoys.pdbqt | data/7U/7UEE-PFB/7UEE-PFB_decoy_scores.csv |
7USJ-82V | data/7U/7USJ-82V/7USJ-82V_ligand.pdbqt | data/7U/7USJ-82V/7USJ-82V_target.pdbqt | data/7U/7USJ-82V/7USJ-82V_decoys.pdbqt | data/7U/7USJ-82V/7USJ-82V_decoy_scores.csv |
7U29-4WI | data/7U/7U29-4WI/7U29-4WI_ligand.pdbqt | data/7U/7U29-4WI/7U29-4WI_target.pdbqt | data/7U/7U29-4WI/7U29-4WI_decoys.pdbqt | data/7U/7U29-4WI/7U29-4WI_decoy_scores.csv |
7U5Z-LE8 | data/7U/7U5Z-LE8/7U5Z-LE8_ligand.pdbqt | data/7U/7U5Z-LE8/7U5Z-LE8_target.pdbqt | data/7U/7U5Z-LE8/7U5Z-LE8_decoys.pdbqt | data/7U/7U5Z-LE8/7U5Z-LE8_decoy_scores.csv |
7U55-D12 | data/7U/7U55-D12/7U55-D12_ligand.pdbqt | data/7U/7U55-D12/7U55-D12_target.pdbqt | data/7U/7U55-D12/7U55-D12_decoys.pdbqt | data/7U/7U55-D12/7U55-D12_decoy_scores.csv |
7UFJ-N36 | data/7U/7UFJ-N36/7UFJ-N36_ligand.pdbqt | data/7U/7UFJ-N36/7UFJ-N36_target.pdbqt | data/7U/7UFJ-N36/7UFJ-N36_decoys.pdbqt | data/7U/7UFJ-N36/7UFJ-N36_decoy_scores.csv |
7U49-LD0 | data/7U/7U49-LD0/7U49-LD0_ligand.pdbqt | data/7U/7U49-LD0/7U49-LD0_target.pdbqt | data/7U/7U49-LD0/7U49-LD0_decoys.pdbqt | data/7U/7U49-LD0/7U49-LD0_decoy_scores.csv |
7UYT-OV5 | data/7U/7UYT-OV5/7UYT-OV5_ligand.pdbqt | data/7U/7UYT-OV5/7UYT-OV5_target.pdbqt | data/7U/7UYT-OV5/7UYT-OV5_decoys.pdbqt | data/7U/7UYT-OV5/7UYT-OV5_decoy_scores.csv |
7US7-O5X | data/7U/7US7-O5X/7US7-O5X_ligand.pdbqt | data/7U/7US7-O5X/7US7-O5X_target.pdbqt | data/7U/7US7-O5X/7US7-O5X_decoys.pdbqt | data/7U/7US7-O5X/7US7-O5X_decoy_scores.csv |
7UHX-PFB | data/7U/7UHX-PFB/7UHX-PFB_ligand.pdbqt | data/7U/7UHX-PFB/7UHX-PFB_target.pdbqt | data/7U/7UHX-PFB/7UHX-PFB_decoys.pdbqt | data/7U/7UHX-PFB/7UHX-PFB_decoy_scores.csv |
7UAM-H4B | data/7U/7UAM-H4B/7UAM-H4B_ligand.pdbqt | data/7U/7UAM-H4B/7UAM-H4B_target.pdbqt | data/7U/7UAM-H4B/7UAM-H4B_decoys.pdbqt | data/7U/7UAM-H4B/7UAM-H4B_decoy_scores.csv |
7U6J-LYS | data/7U/7U6J-LYS/7U6J-LYS_ligand.pdbqt | data/7U/7U6J-LYS/7U6J-LYS_target.pdbqt | data/7U/7U6J-LYS/7U6J-LYS_decoys.pdbqt | data/7U/7U6J-LYS/7U6J-LYS_decoy_scores.csv |
7UDR-NAJ | data/7U/7UDR-NAJ/7UDR-NAJ_ligand.pdbqt | data/7U/7UDR-NAJ/7UDR-NAJ_target.pdbqt | data/7U/7UDR-NAJ/7UDR-NAJ_decoys.pdbqt | data/7U/7UDR-NAJ/7UDR-NAJ_decoy_scores.csv |
7UYJ-WHL | data/7U/7UYJ-WHL/7UYJ-WHL_ligand.pdbqt | data/7U/7UYJ-WHL/7UYJ-WHL_target.pdbqt | data/7U/7UYJ-WHL/7UYJ-WHL_decoys.pdbqt | data/7U/7UYJ-WHL/7UYJ-WHL_decoy_scores.csv |
7UEF-PFB | data/7U/7UEF-PFB/7UEF-PFB_ligand.pdbqt | data/7U/7UEF-PFB/7UEF-PFB_target.pdbqt | data/7U/7UEF-PFB/7UEF-PFB_decoys.pdbqt | data/7U/7UEF-PFB/7UEF-PFB_decoy_scores.csv |
7UDF-8ZU | data/7U/7UDF-8ZU/7UDF-8ZU_ligand.pdbqt | data/7U/7UDF-8ZU/7UDF-8ZU_target.pdbqt | data/7U/7UDF-8ZU/7UDF-8ZU_decoys.pdbqt | data/7U/7UDF-8ZU/7UDF-8ZU_decoy_scores.csv |
7U8Y-AZN | data/7U/7U8Y-AZN/7U8Y-AZN_ligand.pdbqt | data/7U/7U8Y-AZN/7U8Y-AZN_target.pdbqt | data/7U/7U8Y-AZN/7U8Y-AZN_decoys.pdbqt | data/7U/7U8Y-AZN/7U8Y-AZN_decoy_scores.csv |
7UF1-R5P | data/7U/7UF1-R5P/7UF1-R5P_ligand.pdbqt | data/7U/7UF1-R5P/7UF1-R5P_target.pdbqt | data/7U/7UF1-R5P/7UF1-R5P_decoys.pdbqt | data/7U/7UF1-R5P/7UF1-R5P_decoy_scores.csv |
7UFC-NJO | data/7U/7UFC-NJO/7UFC-NJO_ligand.pdbqt | data/7U/7UFC-NJO/7UFC-NJO_target.pdbqt | data/7U/7UFC-NJO/7UFC-NJO_decoys.pdbqt | data/7U/7UFC-NJO/7UFC-NJO_decoy_scores.csv |
7UP1-NZR | data/7U/7UP1-NZR/7UP1-NZR_ligand.pdbqt | data/7U/7UP1-NZR/7UP1-NZR_target.pdbqt | data/7U/7UP1-NZR/7UP1-NZR_decoys.pdbqt | data/7U/7UP1-NZR/7UP1-NZR_decoy_scores.csv |
7UXI-WHL | data/7U/7UXI-WHL/7UXI-WHL_ligand.pdbqt | data/7U/7UXI-WHL/7UXI-WHL_target.pdbqt | data/7U/7UXI-WHL/7UXI-WHL_decoys.pdbqt | data/7U/7UXI-WHL/7UXI-WHL_decoy_scores.csv |
7U6Z-NAD | data/7U/7U6Z-NAD/7U6Z-NAD_ligand.pdbqt | data/7U/7U6Z-NAD/7U6Z-NAD_target.pdbqt | data/7U/7U6Z-NAD/7U6Z-NAD_decoys.pdbqt | data/7U/7U6Z-NAD/7U6Z-NAD_decoy_scores.csv |
7UX7-SAH | data/7U/7UX7-SAH/7UX7-SAH_ligand.pdbqt | data/7U/7UX7-SAH/7UX7-SAH_target.pdbqt | data/7U/7UX7-SAH/7UX7-SAH_decoys.pdbqt | data/7U/7UX7-SAH/7UX7-SAH_decoy_scores.csv |
7UMV-NUU | data/7U/7UMV-NUU/7UMV-NUU_ligand.pdbqt | data/7U/7UMV-NUU/7UMV-NUU_target.pdbqt | data/7U/7UMV-NUU/7UMV-NUU_decoys.pdbqt | data/7U/7UMV-NUU/7UMV-NUU_decoy_scores.csv |
7UFV-N6O | data/7U/7UFV-N6O/7UFV-N6O_ligand.pdbqt | data/7U/7UFV-N6O/7UFV-N6O_target.pdbqt | data/7U/7UFV-N6O/7UFV-N6O_decoys.pdbqt | data/7U/7UFV-N6O/7UFV-N6O_decoy_scores.csv |
7UQ2-4BW | data/7U/7UQ2-4BW/7UQ2-4BW_ligand.pdbqt | data/7U/7UQ2-4BW/7UQ2-4BW_target.pdbqt | data/7U/7UQ2-4BW/7UQ2-4BW_decoys.pdbqt | data/7U/7UQ2-4BW/7UQ2-4BW_decoy_scores.csv |
7U2U-KZD | data/7U/7U2U-KZD/7U2U-KZD_ligand.pdbqt | data/7U/7U2U-KZD/7U2U-KZD_target.pdbqt | data/7U/7U2U-KZD/7U2U-KZD_decoys.pdbqt | data/7U/7U2U-KZD/7U2U-KZD_decoy_scores.csv |
7UF2-5SP | data/7U/7UF2-5SP/7UF2-5SP_ligand.pdbqt | data/7U/7UF2-5SP/7UF2-5SP_target.pdbqt | data/7U/7UF2-5SP/7UF2-5SP_decoys.pdbqt | data/7U/7UF2-5SP/7UF2-5SP_decoy_scores.csv |
7UM8-NAD | data/7U/7UM8-NAD/7UM8-NAD_ligand.pdbqt | data/7U/7UM8-NAD/7UM8-NAD_target.pdbqt | data/7U/7UM8-NAD/7UM8-NAD_decoys.pdbqt | data/7U/7UM8-NAD/7UM8-NAD_decoy_scores.csv |
7UF7-N2Q | data/7U/7UF7-N2Q/7UF7-N2Q_ligand.pdbqt | data/7U/7UF7-N2Q/7UF7-N2Q_target.pdbqt | data/7U/7UF7-N2Q/7UF7-N2Q_decoys.pdbqt | data/7U/7UF7-N2Q/7UF7-N2Q_decoy_scores.csv |
7UDZ-OLC | data/7U/7UDZ-OLC/7UDZ-OLC_ligand.pdbqt | data/7U/7UDZ-OLC/7UDZ-OLC_target.pdbqt | data/7U/7UDZ-OLC/7UDZ-OLC_decoys.pdbqt | data/7U/7UDZ-OLC/7UDZ-OLC_decoy_scores.csv |
7UEI-NAJ | data/7U/7UEI-NAJ/7UEI-NAJ_ligand.pdbqt | data/7U/7UEI-NAJ/7UEI-NAJ_target.pdbqt | data/7U/7UEI-NAJ/7UEI-NAJ_decoys.pdbqt | data/7U/7UEI-NAJ/7UEI-NAJ_decoy_scores.csv |
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