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 ⌀ |
|---|---|---|---|---|
4GTR-7TR | data/4G/4GTR-7TR/4GTR-7TR_ligand.pdbqt | data/4G/4GTR-7TR/4GTR-7TR_target.pdbqt | data/4G/4GTR-7TR/4GTR-7TR_decoys.pdbqt | data/4G/4GTR-7TR/4GTR-7TR_decoy_scores.csv |
4G8C-C6L | data/4G/4G8C-C6L/4G8C-C6L_ligand.pdbqt | data/4G/4G8C-C6L/4G8C-C6L_target.pdbqt | data/4G/4G8C-C6L/4G8C-C6L_decoys.pdbqt | data/4G/4G8C-C6L/4G8C-C6L_decoy_scores.csv |
4GR9-372 | data/4G/4GR9-372/4GR9-372_ligand.pdbqt | data/4G/4GR9-372/4GR9-372_target.pdbqt | data/4G/4GR9-372/4GR9-372_decoys.pdbqt | data/4G/4GR9-372/4GR9-372_decoy_scores.csv |
4GRH-CPS | data/4G/4GRH-CPS/4GRH-CPS_ligand.pdbqt | data/4G/4GRH-CPS/4GRH-CPS_target.pdbqt | data/4G/4GRH-CPS/4GRH-CPS_decoys.pdbqt | data/4G/4GRH-CPS/4GRH-CPS_decoy_scores.csv |
4GN8-ASO | data/4G/4GN8-ASO/4GN8-ASO_ligand.pdbqt | data/4G/4GN8-ASO/4GN8-ASO_target.pdbqt | data/4G/4GN8-ASO/4GN8-ASO_decoys.pdbqt | data/4G/4GN8-ASO/4GN8-ASO_decoy_scores.csv |
4GTE-MEF | data/4G/4GTE-MEF/4GTE-MEF_ligand.pdbqt | data/4G/4GTE-MEF/4GTE-MEF_target.pdbqt | data/4G/4GTE-MEF/4GTE-MEF_decoys.pdbqt | data/4G/4GTE-MEF/4GTE-MEF_decoy_scores.csv |
4GJ3-0XP | data/4G/4GJ3-0XP/4GJ3-0XP_ligand.pdbqt | data/4G/4GJ3-0XP/4GJ3-0XP_target.pdbqt | data/4G/4GJ3-0XP/4GJ3-0XP_decoys.pdbqt | data/4G/4GJ3-0XP/4GJ3-0XP_decoy_scores.csv |
4G2W-NI0 | data/4G/4G2W-NI0/4G2W-NI0_ligand.pdbqt | data/4G/4G2W-NI0/4G2W-NI0_target.pdbqt | data/4G/4G2W-NI0/4G2W-NI0_decoys.pdbqt | data/4G/4G2W-NI0/4G2W-NI0_decoy_scores.csv |
4GNA-XYL | data/4G/4GNA-XYL/4GNA-XYL_ligand.pdbqt | data/4G/4GNA-XYL/4GNA-XYL_target.pdbqt | data/4G/4GNA-XYL/4GNA-XYL_decoys.pdbqt | data/4G/4GNA-XYL/4GNA-XYL_decoy_scores.csv |
4GVO-HIS | data/4G/4GVO-HIS/4GVO-HIS_ligand.pdbqt | data/4G/4GVO-HIS/4GVO-HIS_target.pdbqt | data/4G/4GVO-HIS/4GVO-HIS_decoys.pdbqt | data/4G/4GVO-HIS/4GVO-HIS_decoy_scores.csv |
4GMZ-GTP | data/4G/4GMZ-GTP/4GMZ-GTP_ligand.pdbqt | data/4G/4GMZ-GTP/4GMZ-GTP_target.pdbqt | data/4G/4GMZ-GTP/4GMZ-GTP_decoys.pdbqt | data/4G/4GMZ-GTP/4GMZ-GTP_decoy_scores.csv |
4GA3-4GA | data/4G/4GA3-4GA/4GA3-4GA_ligand.pdbqt | data/4G/4GA3-4GA/4GA3-4GA_target.pdbqt | data/4G/4GA3-4GA/4GA3-4GA_decoys.pdbqt | data/4G/4GA3-4GA/4GA3-4GA_decoy_scores.csv |
4GKM-PRP | data/4G/4GKM-PRP/4GKM-PRP_ligand.pdbqt | data/4G/4GKM-PRP/4GKM-PRP_target.pdbqt | data/4G/4GKM-PRP/4GKM-PRP_decoys.pdbqt | data/4G/4GKM-PRP/4GKM-PRP_decoy_scores.csv |
4G2Y-NI5 | data/4G/4G2Y-NI5/4G2Y-NI5_ligand.pdbqt | data/4G/4G2Y-NI5/4G2Y-NI5_target.pdbqt | data/4G/4G2Y-NI5/4G2Y-NI5_decoys.pdbqt | data/4G/4G2Y-NI5/4G2Y-NI5_decoy_scores.csv |
4GVM-LF2 | data/4G/4GVM-LF2/4GVM-LF2_ligand.pdbqt | data/4G/4GVM-LF2/4GVM-LF2_target.pdbqt | null | null |
4GTO-7TO | data/4G/4GTO-7TO/4GTO-7TO_ligand.pdbqt | data/4G/4GTO-7TO/4GTO-7TO_target.pdbqt | data/4G/4GTO-7TO/4GTO-7TO_decoys.pdbqt | data/4G/4GTO-7TO/4GTO-7TO_decoy_scores.csv |
4GEV-UMC | data/4G/4GEV-UMC/4GEV-UMC_ligand.pdbqt | data/4G/4GEV-UMC/4GEV-UMC_target.pdbqt | data/4G/4GEV-UMC/4GEV-UMC_decoys.pdbqt | data/4G/4GEV-UMC/4GEV-UMC_decoy_scores.csv |
4G0Y-AMP | data/4G/4G0Y-AMP/4G0Y-AMP_ligand.pdbqt | data/4G/4G0Y-AMP/4G0Y-AMP_target.pdbqt | data/4G/4G0Y-AMP/4G0Y-AMP_decoys.pdbqt | data/4G/4G0Y-AMP/4G0Y-AMP_decoy_scores.csv |
4GVC-ANS | data/4G/4GVC-ANS/4GVC-ANS_ligand.pdbqt | data/4G/4GVC-ANS/4GVC-ANS_target.pdbqt | data/4G/4GVC-ANS/4GVC-ANS_decoys.pdbqt | data/4G/4GVC-ANS/4GVC-ANS_decoy_scores.csv |
4GW0-ADP | data/4G/4GW0-ADP/4GW0-ADP_ligand.pdbqt | data/4G/4GW0-ADP/4GW0-ADP_target.pdbqt | data/4G/4GW0-ADP/4GW0-ADP_decoys.pdbqt | data/4G/4GW0-ADP/4GW0-ADP_decoy_scores.csv |
4GYF-HSO | data/4G/4GYF-HSO/4GYF-HSO_ligand.pdbqt | data/4G/4GYF-HSO/4GYF-HSO_target.pdbqt | data/4G/4GYF-HSO/4GYF-HSO_decoys.pdbqt | data/4G/4GYF-HSO/4GYF-HSO_decoy_scores.csv |
4GAC-FLC | data/4G/4GAC-FLC/4GAC-FLC_ligand.pdbqt | data/4G/4GAC-FLC/4GAC-FLC_target.pdbqt | data/4G/4GAC-FLC/4GAC-FLC_decoys.pdbqt | data/4G/4GAC-FLC/4GAC-FLC_decoy_scores.csv |
4GH1-0WX | data/4G/4GH1-0WX/4GH1-0WX_ligand.pdbqt | data/4G/4GH1-0WX/4GH1-0WX_target.pdbqt | data/4G/4GH1-0WX/4GH1-0WX_decoys.pdbqt | data/4G/4GH1-0WX/4GH1-0WX_decoy_scores.csv |
4G1W-G1W | data/4G/4G1W-G1W/4G1W-G1W_ligand.pdbqt | data/4G/4G1W-G1W/4G1W-G1W_target.pdbqt | data/4G/4G1W-G1W/4G1W-G1W_decoys.pdbqt | data/4G/4G1W-G1W/4G1W-G1W_decoy_scores.csv |
4GT9-MEF | data/4G/4GT9-MEF/4GT9-MEF_ligand.pdbqt | data/4G/4GT9-MEF/4GT9-MEF_target.pdbqt | data/4G/4GT9-MEF/4GT9-MEF_decoys.pdbqt | data/4G/4GT9-MEF/4GT9-MEF_decoy_scores.csv |
4GTO-FPP | data/4G/4GTO-FPP/4GTO-FPP_ligand.pdbqt | data/4G/4GTO-FPP/4GTO-FPP_target.pdbqt | data/4G/4GTO-FPP/4GTO-FPP_decoys.pdbqt | data/4G/4GTO-FPP/4GTO-FPP_decoy_scores.csv |
4GCX-PRF | data/4G/4GCX-PRF/4GCX-PRF_ligand.pdbqt | data/4G/4GCX-PRF/4GCX-PRF_target.pdbqt | data/4G/4GCX-PRF/4GCX-PRF_decoys.pdbqt | data/4G/4GCX-PRF/4GCX-PRF_decoy_scores.csv |
4GCJ-X64 | data/4G/4GCJ-X64/4GCJ-X64_ligand.pdbqt | data/4G/4GCJ-X64/4GCJ-X64_target.pdbqt | data/4G/4GCJ-X64/4GCJ-X64_decoys.pdbqt | data/4G/4GCJ-X64/4GCJ-X64_decoy_scores.csv |
4GE8-0WU | data/4G/4GE8-0WU/4GE8-0WU_ligand.pdbqt | data/4G/4GE8-0WU/4GE8-0WU_target.pdbqt | data/4G/4GE8-0WU/4GE8-0WU_decoys.pdbqt | data/4G/4GE8-0WU/4GE8-0WU_decoy_scores.csv |
4GU6-10N | data/4G/4GU6-10N/4GU6-10N_ligand.pdbqt | data/4G/4GU6-10N/4GU6-10N_target.pdbqt | data/4G/4GU6-10N/4GU6-10N_decoys.pdbqt | data/4G/4GU6-10N/4GU6-10N_decoy_scores.csv |
4G2H-0VQ | data/4G/4G2H-0VQ/4G2H-0VQ_ligand.pdbqt | data/4G/4G2H-0VQ/4G2H-0VQ_target.pdbqt | data/4G/4G2H-0VQ/4G2H-0VQ_decoys.pdbqt | data/4G/4G2H-0VQ/4G2H-0VQ_decoy_scores.csv |
4GX3-F6P | data/4G/4GX3-F6P/4GX3-F6P_ligand.pdbqt | data/4G/4GX3-F6P/4GX3-F6P_target.pdbqt | data/4G/4GX3-F6P/4GX3-F6P_decoys.pdbqt | data/4G/4GX3-F6P/4GX3-F6P_decoy_scores.csv |
4GD7-TIY | data/4G/4GD7-TIY/4GD7-TIY_ligand.pdbqt | data/4G/4GD7-TIY/4GD7-TIY_target.pdbqt | data/4G/4GD7-TIY/4GD7-TIY_decoys.pdbqt | data/4G/4GD7-TIY/4GD7-TIY_decoy_scores.csv |
4GKI-KAN | data/4G/4GKI-KAN/4GKI-KAN_ligand.pdbqt | data/4G/4GKI-KAN/4GKI-KAN_target.pdbqt | data/4G/4GKI-KAN/4GKI-KAN_decoys.pdbqt | data/4G/4GKI-KAN/4GKI-KAN_decoy_scores.csv |
4GKC-RET | data/4G/4GKC-RET/4GKC-RET_ligand.pdbqt | data/4G/4GKC-RET/4GKC-RET_target.pdbqt | data/4G/4GKC-RET/4GKC-RET_decoys.pdbqt | data/4G/4GKC-RET/4GKC-RET_decoy_scores.csv |
4GI6-GLC | data/4G/4GI6-GLC/4GI6-GLC_ligand.pdbqt | data/4G/4GI6-GLC/4GI6-GLC_target.pdbqt | data/4G/4GI6-GLC/4GI6-GLC_decoys.pdbqt | data/4G/4GI6-GLC/4GI6-GLC_decoy_scores.csv |
4GFO-0X2 | data/4G/4GFO-0X2/4GFO-0X2_ligand.pdbqt | data/4G/4GFO-0X2/4GFO-0X2_target.pdbqt | data/4G/4GFO-0X2/4GFO-0X2_decoys.pdbqt | data/4G/4GFO-0X2/4GFO-0X2_decoy_scores.csv |
4GHT-AG7 | data/4G/4GHT-AG7/4GHT-AG7_ligand.pdbqt | data/4G/4GHT-AG7/4GHT-AG7_target.pdbqt | data/4G/4GHT-AG7/4GHT-AG7_decoys.pdbqt | data/4G/4GHT-AG7/4GHT-AG7_decoy_scores.csv |
4GQB-0XU | data/4G/4GQB-0XU/4GQB-0XU_ligand.pdbqt | data/4G/4GQB-0XU/4GQB-0XU_target.pdbqt | data/4G/4GQB-0XU/4GQB-0XU_decoys.pdbqt | data/4G/4GQB-0XU/4GQB-0XU_decoy_scores.csv |
4GP6-ADP | data/4G/4GP6-ADP/4GP6-ADP_ligand.pdbqt | data/4G/4GP6-ADP/4GP6-ADP_target.pdbqt | data/4G/4GP6-ADP/4GP6-ADP_decoys.pdbqt | data/4G/4GP6-ADP/4GP6-ADP_decoy_scores.csv |
4GHF-4NC | data/4G/4GHF-4NC/4GHF-4NC_ligand.pdbqt | data/4G/4GHF-4NC/4GHF-4NC_target.pdbqt | data/4G/4GHF-4NC/4GHF-4NC_decoys.pdbqt | data/4G/4GHF-4NC/4GHF-4NC_decoy_scores.csv |
4GAA-BES | data/4G/4GAA-BES/4GAA-BES_ligand.pdbqt | data/4G/4GAA-BES/4GAA-BES_target.pdbqt | data/4G/4GAA-BES/4GAA-BES_decoys.pdbqt | data/4G/4GAA-BES/4GAA-BES_decoy_scores.csv |
4GG1-TZD | data/4G/4GG1-TZD/4GG1-TZD_ligand.pdbqt | data/4G/4GG1-TZD/4GG1-TZD_target.pdbqt | data/4G/4GG1-TZD/4GG1-TZD_decoys.pdbqt | data/4G/4GG1-TZD/4GG1-TZD_decoy_scores.csv |
4GP1-DMA | data/4G/4GP1-DMA/4GP1-DMA_ligand.pdbqt | data/4G/4GP1-DMA/4GP1-DMA_target.pdbqt | data/4G/4GP1-DMA/4GP1-DMA_decoys.pdbqt | data/4G/4GP1-DMA/4GP1-DMA_decoy_scores.csv |
4GII-0X6 | data/4G/4GII-0X6/4GII-0X6_ligand.pdbqt | data/4G/4GII-0X6/4GII-0X6_target.pdbqt | data/4G/4GII-0X6/4GII-0X6_decoys.pdbqt | data/4G/4GII-0X6/4GII-0X6_decoy_scores.csv |
4G5Y-0OC | data/4G/4G5Y-0OC/4G5Y-0OC_ligand.pdbqt | data/4G/4G5Y-0OC/4G5Y-0OC_target.pdbqt | data/4G/4G5Y-0OC/4G5Y-0OC_decoys.pdbqt | data/4G/4G5Y-0OC/4G5Y-0OC_decoy_scores.csv |
4GIU-636 | data/4G/4GIU-636/4GIU-636_ligand.pdbqt | data/4G/4GIU-636/4GIU-636_target.pdbqt | data/4G/4GIU-636/4GIU-636_decoys.pdbqt | data/4G/4GIU-636/4GIU-636_decoy_scores.csv |
4GZ7-MHA | data/4G/4GZ7-MHA/4GZ7-MHA_ligand.pdbqt | data/4G/4GZ7-MHA/4GZ7-MHA_target.pdbqt | data/4G/4GZ7-MHA/4GZ7-MHA_decoys.pdbqt | data/4G/4GZ7-MHA/4GZ7-MHA_decoy_scores.csv |
4GYP-P6G | data/4G/4GYP-P6G/4GYP-P6G_ligand.pdbqt | data/4G/4GYP-P6G/4GYP-P6G_target.pdbqt | data/4G/4GYP-P6G/4GYP-P6G_decoys.pdbqt | data/4G/4GYP-P6G/4GYP-P6G_decoy_scores.csv |
4G0C-AZM | data/4G/4G0C-AZM/4G0C-AZM_ligand.pdbqt | data/4G/4G0C-AZM/4G0C-AZM_target.pdbqt | null | null |
4GXM-FMN | data/4G/4GXM-FMN/4GXM-FMN_ligand.pdbqt | data/4G/4GXM-FMN/4GXM-FMN_target.pdbqt | data/4G/4GXM-FMN/4GXM-FMN_decoys.pdbqt | data/4G/4GXM-FMN/4GXM-FMN_decoy_scores.csv |
4GPT-GNP | data/4G/4GPT-GNP/4GPT-GNP_ligand.pdbqt | data/4G/4GPT-GNP/4GPT-GNP_target.pdbqt | data/4G/4GPT-GNP/4GPT-GNP_decoys.pdbqt | data/4G/4GPT-GNP/4GPT-GNP_decoy_scores.csv |
4G3F-0WB | data/4G/4G3F-0WB/4G3F-0WB_ligand.pdbqt | data/4G/4G3F-0WB/4G3F-0WB_target.pdbqt | data/4G/4G3F-0WB/4G3F-0WB_decoys.pdbqt | data/4G/4G3F-0WB/4G3F-0WB_decoy_scores.csv |
4GBD-MCF | data/4G/4GBD-MCF/4GBD-MCF_ligand.pdbqt | data/4G/4GBD-MCF/4GBD-MCF_target.pdbqt | data/4G/4GBD-MCF/4GBD-MCF_decoys.pdbqt | data/4G/4GBD-MCF/4GBD-MCF_decoy_scores.csv |
4G4J-MCU | data/4G/4G4J-MCU/4G4J-MCU_ligand.pdbqt | data/4G/4G4J-MCU/4G4J-MCU_target.pdbqt | data/4G/4G4J-MCU/4G4J-MCU_decoys.pdbqt | data/4G/4G4J-MCU/4G4J-MCU_decoy_scores.csv |
4GUI-QIC | data/4G/4GUI-QIC/4GUI-QIC_ligand.pdbqt | data/4G/4GUI-QIC/4GUI-QIC_target.pdbqt | data/4G/4GUI-QIC/4GUI-QIC_decoys.pdbqt | data/4G/4GUI-QIC/4GUI-QIC_decoy_scores.csv |
4GL4-NAI | data/4G/4GL4-NAI/4GL4-NAI_ligand.pdbqt | data/4G/4GL4-NAI/4GL4-NAI_target.pdbqt | data/4G/4GL4-NAI/4GL4-NAI_decoys.pdbqt | data/4G/4GL4-NAI/4GL4-NAI_decoy_scores.csv |
4GX6-AMP | data/4G/4GX6-AMP/4GX6-AMP_ligand.pdbqt | data/4G/4GX6-AMP/4GX6-AMP_target.pdbqt | data/4G/4GX6-AMP/4GX6-AMP_decoys.pdbqt | data/4G/4GX6-AMP/4GX6-AMP_decoy_scores.csv |
4G17-0VN | data/4G/4G17-0VN/4G17-0VN_ligand.pdbqt | data/4G/4G17-0VN/4G17-0VN_target.pdbqt | data/4G/4G17-0VN/4G17-0VN_decoys.pdbqt | data/4G/4G17-0VN/4G17-0VN_decoy_scores.csv |
4GMZ-SPV | data/4G/4GMZ-SPV/4GMZ-SPV_ligand.pdbqt | data/4G/4GMZ-SPV/4GMZ-SPV_target.pdbqt | data/4G/4GMZ-SPV/4GMZ-SPV_decoys.pdbqt | data/4G/4GMZ-SPV/4GMZ-SPV_decoy_scores.csv |
4GVJ-ADP | data/4G/4GVJ-ADP/4GVJ-ADP_ligand.pdbqt | data/4G/4GVJ-ADP/4GVJ-ADP_target.pdbqt | data/4G/4GVJ-ADP/4GVJ-ADP_decoys.pdbqt | data/4G/4GVJ-ADP/4GVJ-ADP_decoy_scores.csv |
4GTB-D16 | data/4G/4GTB-D16/4GTB-D16_ligand.pdbqt | data/4G/4GTB-D16/4GTB-D16_target.pdbqt | data/4G/4GTB-D16/4GTB-D16_decoys.pdbqt | data/4G/4GTB-D16/4GTB-D16_decoy_scores.csv |
4GK2-L66 | data/4G/4GK2-L66/4GK2-L66_ligand.pdbqt | data/4G/4GK2-L66/4GK2-L66_target.pdbqt | data/4G/4GK2-L66/4GK2-L66_decoys.pdbqt | data/4G/4GK2-L66/4GK2-L66_decoy_scores.csv |
4GJI-RM4 | data/4G/4GJI-RM4/4GJI-RM4_ligand.pdbqt | data/4G/4GJI-RM4/4GJI-RM4_target.pdbqt | data/4G/4GJI-RM4/4GJI-RM4_decoys.pdbqt | data/4G/4GJI-RM4/4GJI-RM4_decoy_scores.csv |
4GD6-17K | data/4G/4GD6-17K/4GD6-17K_ligand.pdbqt | data/4G/4GD6-17K/4GD6-17K_target.pdbqt | data/4G/4GD6-17K/4GD6-17K_decoys.pdbqt | data/4G/4GD6-17K/4GD6-17K_decoy_scores.csv |
4GMD-ATM | data/4G/4GMD-ATM/4GMD-ATM_ligand.pdbqt | data/4G/4GMD-ATM/4GMD-ATM_target.pdbqt | data/4G/4GMD-ATM/4GMD-ATM_decoys.pdbqt | data/4G/4GMD-ATM/4GMD-ATM_decoy_scores.csv |
4GUG-3DS | data/4G/4GUG-3DS/4GUG-3DS_ligand.pdbqt | data/4G/4GUG-3DS/4GUG-3DS_target.pdbqt | data/4G/4GUG-3DS/4GUG-3DS_decoys.pdbqt | data/4G/4GUG-3DS/4GUG-3DS_decoy_scores.csv |
4G41-MTA | data/4G/4G41-MTA/4G41-MTA_ligand.pdbqt | data/4G/4G41-MTA/4G41-MTA_target.pdbqt | data/4G/4G41-MTA/4G41-MTA_decoys.pdbqt | data/4G/4G41-MTA/4G41-MTA_decoy_scores.csv |
4GH3-0EV | data/4G/4GH3-0EV/4GH3-0EV_ligand.pdbqt | data/4G/4GH3-0EV/4GH3-0EV_target.pdbqt | data/4G/4GH3-0EV/4GH3-0EV_decoys.pdbqt | data/4G/4GH3-0EV/4GH3-0EV_decoy_scores.csv |
4G3R-CAM | data/4G/4G3R-CAM/4G3R-CAM_ligand.pdbqt | data/4G/4G3R-CAM/4G3R-CAM_target.pdbqt | data/4G/4G3R-CAM/4G3R-CAM_decoys.pdbqt | data/4G/4G3R-CAM/4G3R-CAM_decoy_scores.csv |
4GY3-CYC | data/4G/4GY3-CYC/4GY3-CYC_ligand.pdbqt | data/4G/4GY3-CYC/4GY3-CYC_target.pdbqt | data/4G/4GY3-CYC/4GY3-CYC_decoys.pdbqt | data/4G/4GY3-CYC/4GY3-CYC_decoy_scores.csv |
4GZ3-0YT | data/4G/4GZ3-0YT/4GZ3-0YT_ligand.pdbqt | data/4G/4GZ3-0YT/4GZ3-0YT_target.pdbqt | data/4G/4GZ3-0YT/4GZ3-0YT_decoys.pdbqt | data/4G/4GZ3-0YT/4GZ3-0YT_decoy_scores.csv |
4G2F-C07 | data/4G/4G2F-C07/4G2F-C07_ligand.pdbqt | data/4G/4G2F-C07/4G2F-C07_target.pdbqt | data/4G/4G2F-C07/4G2F-C07_decoys.pdbqt | data/4G/4G2F-C07/4G2F-C07_decoy_scores.csv |
4G5H-UD7 | data/4G/4G5H-UD7/4G5H-UD7_ligand.pdbqt | data/4G/4G5H-UD7/4G5H-UD7_target.pdbqt | data/4G/4G5H-UD7/4G5H-UD7_decoys.pdbqt | data/4G/4G5H-UD7/4G5H-UD7_decoy_scores.csv |
4GHH-4NC | data/4G/4GHH-4NC/4GHH-4NC_ligand.pdbqt | data/4G/4GHH-4NC/4GHH-4NC_target.pdbqt | data/4G/4GHH-4NC/4GHH-4NC_decoys.pdbqt | data/4G/4GHH-4NC/4GHH-4NC_decoy_scores.csv |
4G2R-H1L | data/4G/4G2R-H1L/4G2R-H1L_ligand.pdbqt | data/4G/4G2R-H1L/4G2R-H1L_target.pdbqt | data/4G/4G2R-H1L/4G2R-H1L_decoys.pdbqt | data/4G/4G2R-H1L/4G2R-H1L_decoy_scores.csv |
4GE2-75A | data/4G/4GE2-75A/4GE2-75A_ligand.pdbqt | data/4G/4GE2-75A/4GE2-75A_target.pdbqt | data/4G/4GE2-75A/4GE2-75A_decoys.pdbqt | data/4G/4GE2-75A/4GE2-75A_decoy_scores.csv |
4GIH-0X5 | data/4G/4GIH-0X5/4GIH-0X5_ligand.pdbqt | data/4G/4GIH-0X5/4GIH-0X5_target.pdbqt | data/4G/4GIH-0X5/4GIH-0X5_decoys.pdbqt | data/4G/4GIH-0X5/4GIH-0X5_decoy_scores.csv |
4GE4-0KE | data/4G/4GE4-0KE/4GE4-0KE_ligand.pdbqt | data/4G/4GE4-0KE/4GE4-0KE_target.pdbqt | data/4G/4GE4-0KE/4GE4-0KE_decoys.pdbqt | data/4G/4GE4-0KE/4GE4-0KE_decoy_scores.csv |
4GDX-GLU | data/4G/4GDX-GLU/4GDX-GLU_ligand.pdbqt | data/4G/4GDX-GLU/4GDX-GLU_target.pdbqt | data/4G/4GDX-GLU/4GDX-GLU_decoys.pdbqt | data/4G/4GDX-GLU/4GDX-GLU_decoy_scores.csv |
4G4L-P6G | data/4G/4G4L-P6G/4G4L-P6G_ligand.pdbqt | data/4G/4G4L-P6G/4G4L-P6G_target.pdbqt | data/4G/4G4L-P6G/4G4L-P6G_decoys.pdbqt | data/4G/4G4L-P6G/4G4L-P6G_decoy_scores.csv |
4GT3-ATP | data/4G/4GT3-ATP/4GT3-ATP_ligand.pdbqt | data/4G/4GT3-ATP/4GT3-ATP_target.pdbqt | data/4G/4GT3-ATP/4GT3-ATP_decoys.pdbqt | data/4G/4GT3-ATP/4GT3-ATP_decoy_scores.csv |
4GHE-P6G | data/4G/4GHE-P6G/4GHE-P6G_ligand.pdbqt | data/4G/4GHE-P6G/4GHE-P6G_target.pdbqt | data/4G/4GHE-P6G/4GHE-P6G_decoys.pdbqt | data/4G/4GHE-P6G/4GHE-P6G_decoy_scores.csv |
4G4V-API | data/4G/4G4V-API/4G4V-API_ligand.pdbqt | data/4G/4G4V-API/4G4V-API_target.pdbqt | data/4G/4G4V-API/4G4V-API_decoys.pdbqt | data/4G/4G4V-API/4G4V-API_decoy_scores.csv |
4GT9-UMP | data/4G/4GT9-UMP/4GT9-UMP_ligand.pdbqt | data/4G/4GT9-UMP/4GT9-UMP_target.pdbqt | data/4G/4GT9-UMP/4GT9-UMP_decoys.pdbqt | data/4G/4GT9-UMP/4GT9-UMP_decoy_scores.csv |
4GMW-GDP | data/4G/4GMW-GDP/4GMW-GDP_ligand.pdbqt | data/4G/4GMW-GDP/4GMW-GDP_target.pdbqt | data/4G/4GMW-GDP/4GMW-GDP_decoys.pdbqt | data/4G/4GMW-GDP/4GMW-GDP_decoy_scores.csv |
4GD9-BTN | data/4G/4GD9-BTN/4GD9-BTN_ligand.pdbqt | data/4G/4GD9-BTN/4GD9-BTN_target.pdbqt | data/4G/4GD9-BTN/4GD9-BTN_decoys.pdbqt | data/4G/4GD9-BTN/4GD9-BTN_decoy_scores.csv |
4GFI-GLU | data/4G/4GFI-GLU/4GFI-GLU_ligand.pdbqt | data/4G/4GFI-GLU/4GFI-GLU_target.pdbqt | data/4G/4GFI-GLU/4GFI-GLU_decoys.pdbqt | data/4G/4GFI-GLU/4GFI-GLU_decoy_scores.csv |
4GHD-P6G | data/4G/4GHD-P6G/4GHD-P6G_ligand.pdbqt | data/4G/4GHD-P6G/4GHD-P6G_target.pdbqt | data/4G/4GHD-P6G/4GHD-P6G_decoys.pdbqt | data/4G/4GHD-P6G/4GHD-P6G_decoy_scores.csv |
4GGZ-BTN | data/4G/4GGZ-BTN/4GGZ-BTN_ligand.pdbqt | data/4G/4GGZ-BTN/4GGZ-BTN_target.pdbqt | data/4G/4GGZ-BTN/4GGZ-BTN_decoys.pdbqt | data/4G/4GGZ-BTN/4GGZ-BTN_decoy_scores.csv |
4GPH-BLA | data/4G/4GPH-BLA/4GPH-BLA_ligand.pdbqt | data/4G/4GPH-BLA/4GPH-BLA_target.pdbqt | data/4G/4GPH-BLA/4GPH-BLA_decoys.pdbqt | data/4G/4GPH-BLA/4GPH-BLA_decoy_scores.csv |
4G35-4BP | data/4G/4G35-4BP/4G35-4BP_ligand.pdbqt | data/4G/4G35-4BP/4G35-4BP_target.pdbqt | data/4G/4G35-4BP/4G35-4BP_decoys.pdbqt | data/4G/4G35-4BP/4G35-4BP_decoy_scores.csv |
4GER-LYS | data/4G/4GER-LYS/4GER-LYS_ligand.pdbqt | data/4G/4GER-LYS/4GER-LYS_target.pdbqt | data/4G/4GER-LYS/4GER-LYS_decoys.pdbqt | data/4G/4GER-LYS/4GER-LYS_decoy_scores.csv |
4G31-0WH | data/4G/4G31-0WH/4G31-0WH_ligand.pdbqt | data/4G/4G31-0WH/4G31-0WH_target.pdbqt | data/4G/4G31-0WH/4G31-0WH_decoys.pdbqt | data/4G/4G31-0WH/4G31-0WH_decoy_scores.csv |
4GPH-ASC | data/4G/4GPH-ASC/4GPH-ASC_ligand.pdbqt | data/4G/4GPH-ASC/4GPH-ASC_target.pdbqt | data/4G/4GPH-ASC/4GPH-ASC_decoys.pdbqt | data/4G/4GPH-ASC/4GPH-ASC_decoy_scores.csv |
4GPC-BLA | data/4G/4GPC-BLA/4GPC-BLA_ligand.pdbqt | data/4G/4GPC-BLA/4GPC-BLA_target.pdbqt | data/4G/4GPC-BLA/4GPC-BLA_decoys.pdbqt | data/4G/4GPC-BLA/4GPC-BLA_decoy_scores.csv |
4GCZ-FMN | data/4G/4GCZ-FMN/4GCZ-FMN_ligand.pdbqt | data/4G/4GCZ-FMN/4GCZ-FMN_target.pdbqt | data/4G/4GCZ-FMN/4GCZ-FMN_decoys.pdbqt | data/4G/4GCZ-FMN/4GCZ-FMN_decoy_scores.csv |
4G74-TRT | data/4G/4G74-TRT/4G74-TRT_ligand.pdbqt | data/4G/4G74-TRT/4G74-TRT_target.pdbqt | data/4G/4G74-TRT/4G74-TRT_decoys.pdbqt | data/4G/4G74-TRT/4G74-TRT_decoy_scores.csv |
4GC4-BMP | data/4G/4GC4-BMP/4GC4-BMP_ligand.pdbqt | data/4G/4GC4-BMP/4GC4-BMP_target.pdbqt | data/4G/4GC4-BMP/4GC4-BMP_decoys.pdbqt | data/4G/4GC4-BMP/4GC4-BMP_decoy_scores.csv |
4GQE-H4B | data/4G/4GQE-H4B/4GQE-H4B_ligand.pdbqt | data/4G/4GQE-H4B/4GQE-H4B_target.pdbqt | data/4G/4GQE-H4B/4GQE-H4B_decoys.pdbqt | data/4G/4GQE-H4B/4GQE-H4B_decoy_scores.csv |
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