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 ⌀ |
|---|---|---|---|---|
4FTA-H5K | data/4F/4FTA-H5K/4FTA-H5K_ligand.pdbqt | data/4F/4FTA-H5K/4FTA-H5K_target.pdbqt | data/4F/4FTA-H5K/4FTA-H5K_decoys.pdbqt | data/4F/4FTA-H5K/4FTA-H5K_decoy_scores.csv |
4FR8-TNG | data/4F/4FR8-TNG/4FR8-TNG_ligand.pdbqt | data/4F/4FR8-TNG/4FR8-TNG_target.pdbqt | data/4F/4FR8-TNG/4FR8-TNG_decoys.pdbqt | data/4F/4FR8-TNG/4FR8-TNG_decoy_scores.csv |
4FT7-H3K | data/4F/4FT7-H3K/4FT7-H3K_ligand.pdbqt | data/4F/4FT7-H3K/4FT7-H3K_target.pdbqt | data/4F/4FT7-H3K/4FT7-H3K_decoys.pdbqt | data/4F/4FT7-H3K/4FT7-H3K_decoy_scores.csv |
4FES-0T9 | data/4F/4FES-0T9/4FES-0T9_ligand.pdbqt | data/4F/4FES-0T9/4FES-0T9_target.pdbqt | data/4F/4FES-0T9/4FES-0T9_decoys.pdbqt | data/4F/4FES-0T9/4FES-0T9_decoy_scores.csv |
4FUB-4UP | data/4F/4FUB-4UP/4FUB-4UP_ligand.pdbqt | data/4F/4FUB-4UP/4FUB-4UP_target.pdbqt | data/4F/4FUB-4UP/4FUB-4UP_decoys.pdbqt | data/4F/4FUB-4UP/4FUB-4UP_decoy_scores.csv |
4F2V-LMU | data/4F/4F2V-LMU/4F2V-LMU_ligand.pdbqt | data/4F/4F2V-LMU/4F2V-LMU_target.pdbqt | data/4F/4F2V-LMU/4F2V-LMU_decoys.pdbqt | data/4F/4F2V-LMU/4F2V-LMU_decoy_scores.csv |
4FTQ-4HK | data/4F/4FTQ-4HK/4FTQ-4HK_ligand.pdbqt | data/4F/4FTQ-4HK/4FTQ-4HK_target.pdbqt | data/4F/4FTQ-4HK/4FTQ-4HK_decoys.pdbqt | data/4F/4FTQ-4HK/4FTQ-4HK_decoy_scores.csv |
4FT5-H2K | data/4F/4FT5-H2K/4FT5-H2K_ligand.pdbqt | data/4F/4FT5-H2K/4FT5-H2K_target.pdbqt | data/4F/4FT5-H2K/4FT5-H2K_decoys.pdbqt | data/4F/4FT5-H2K/4FT5-H2K_decoy_scores.csv |
4F9Z-PE3 | data/4F/4F9Z-PE3/4F9Z-PE3_ligand.pdbqt | data/4F/4F9Z-PE3/4F9Z-PE3_target.pdbqt | data/4F/4F9Z-PE3/4F9Z-PE3_decoys.pdbqt | data/4F/4F9Z-PE3/4F9Z-PE3_decoy_scores.csv |
4FL7-BHO | data/4F/4FL7-BHO/4FL7-BHO_ligand.pdbqt | data/4F/4FL7-BHO/4FL7-BHO_target.pdbqt | data/4F/4FL7-BHO/4FL7-BHO_decoys.pdbqt | data/4F/4FL7-BHO/4FL7-BHO_decoy_scores.csv |
4F65-0S9 | data/4F/4F65-0S9/4F65-0S9_ligand.pdbqt | data/4F/4F65-0S9/4F65-0S9_target.pdbqt | data/4F/4F65-0S9/4F65-0S9_decoys.pdbqt | data/4F/4F65-0S9/4F65-0S9_decoy_scores.csv |
4FW0-H4B | data/4F/4FW0-H4B/4FW0-H4B_ligand.pdbqt | data/4F/4FW0-H4B/4FW0-H4B_target.pdbqt | data/4F/4FW0-H4B/4FW0-H4B_decoys.pdbqt | data/4F/4FW0-H4B/4FW0-H4B_decoy_scores.csv |
4FUA-PGH | data/4F/4FUA-PGH/4FUA-PGH_ligand.pdbqt | data/4F/4FUA-PGH/4FUA-PGH_target.pdbqt | data/4F/4FUA-PGH/4FUA-PGH_decoys.pdbqt | data/4F/4FUA-PGH/4FUA-PGH_decoy_scores.csv |
4FTT-6HK | data/4F/4FTT-6HK/4FTT-6HK_ligand.pdbqt | data/4F/4FTT-6HK/4FTT-6HK_target.pdbqt | data/4F/4FTT-6HK/4FTT-6HK_decoys.pdbqt | data/4F/4FTT-6HK/4FTT-6HK_decoy_scores.csv |
4FGG-0U5 | data/4F/4FGG-0U5/4FGG-0U5_ligand.pdbqt | data/4F/4FGG-0U5/4FGG-0U5_target.pdbqt | data/4F/4FGG-0U5/4FGG-0U5_decoys.pdbqt | data/4F/4FGG-0U5/4FGG-0U5_decoy_scores.csv |
4FNY-I3K | data/4F/4FNY-I3K/4FNY-I3K_ligand.pdbqt | data/4F/4FNY-I3K/4FNY-I3K_target.pdbqt | data/4F/4FNY-I3K/4FNY-I3K_decoys.pdbqt | data/4F/4FNY-I3K/4FNY-I3K_decoy_scores.csv |
4F0U-CYC | data/4F/4F0U-CYC/4F0U-CYC_ligand.pdbqt | data/4F/4F0U-CYC/4F0U-CYC_target.pdbqt | data/4F/4F0U-CYC/4F0U-CYC_decoys.pdbqt | data/4F/4F0U-CYC/4F0U-CYC_decoy_scores.csv |
4FOY-D53 | data/4F/4FOY-D53/4FOY-D53_ligand.pdbqt | data/4F/4FOY-D53/4FOY-D53_target.pdbqt | data/4F/4FOY-D53/4FOY-D53_decoys.pdbqt | data/4F/4FOY-D53/4FOY-D53_decoy_scores.csv |
4FRY-NAD | data/4F/4FRY-NAD/4FRY-NAD_ligand.pdbqt | data/4F/4FRY-NAD/4FRY-NAD_target.pdbqt | data/4F/4FRY-NAD/4FRY-NAD_decoys.pdbqt | data/4F/4FRY-NAD/4FRY-NAD_decoy_scores.csv |
4FJ0-HHF | data/4F/4FJ0-HHF/4FJ0-HHF_ligand.pdbqt | data/4F/4FJ0-HHF/4FJ0-HHF_target.pdbqt | data/4F/4FJ0-HHF/4FJ0-HHF_decoys.pdbqt | data/4F/4FJ0-HHF/4FJ0-HHF_decoy_scores.csv |
4F2D-RB0 | data/4F/4F2D-RB0/4F2D-RB0_ligand.pdbqt | data/4F/4F2D-RB0/4F2D-RB0_target.pdbqt | data/4F/4F2D-RB0/4F2D-RB0_decoys.pdbqt | data/4F/4F2D-RB0/4F2D-RB0_decoy_scores.csv |
4F6X-ZYL | data/4F/4F6X-ZYL/4F6X-ZYL_ligand.pdbqt | data/4F/4F6X-ZYL/4F6X-ZYL_target.pdbqt | data/4F/4F6X-ZYL/4F6X-ZYL_decoys.pdbqt | data/4F/4F6X-ZYL/4F6X-ZYL_decoy_scores.csv |
4FRV-ME2 | data/4F/4FRV-ME2/4FRV-ME2_ligand.pdbqt | data/4F/4FRV-ME2/4FRV-ME2_target.pdbqt | data/4F/4FRV-ME2/4FRV-ME2_decoys.pdbqt | data/4F/4FRV-ME2/4FRV-ME2_decoy_scores.csv |
4F6O-DFH | data/4F/4F6O-DFH/4F6O-DFH_ligand.pdbqt | data/4F/4F6O-DFH/4F6O-DFH_target.pdbqt | data/4F/4F6O-DFH/4F6O-DFH_decoys.pdbqt | data/4F/4F6O-DFH/4F6O-DFH_decoy_scores.csv |
4F9Y-LM3 | data/4F/4F9Y-LM3/4F9Y-LM3_ligand.pdbqt | data/4F/4F9Y-LM3/4F9Y-LM3_target.pdbqt | data/4F/4F9Y-LM3/4F9Y-LM3_decoys.pdbqt | data/4F/4F9Y-LM3/4F9Y-LM3_decoy_scores.csv |
4FOD-0UV | data/4F/4FOD-0UV/4FOD-0UV_ligand.pdbqt | data/4F/4FOD-0UV/4FOD-0UV_target.pdbqt | data/4F/4FOD-0UV/4FOD-0UV_decoys.pdbqt | data/4F/4FOD-0UV/4FOD-0UV_decoy_scores.csv |
4FW5-L58 | data/4F/4FW5-L58/4FW5-L58_ligand.pdbqt | data/4F/4FW5-L58/4FW5-L58_target.pdbqt | data/4F/4FW5-L58/4FW5-L58_decoys.pdbqt | data/4F/4FW5-L58/4FW5-L58_decoy_scores.csv |
4FRX-C8E | data/4F/4FRX-C8E/4FRX-C8E_ligand.pdbqt | data/4F/4FRX-C8E/4FRX-C8E_target.pdbqt | data/4F/4FRX-C8E/4FRX-C8E_decoys.pdbqt | data/4F/4FRX-C8E/4FRX-C8E_decoy_scores.csv |
4FLL-YZ6 | data/4F/4FLL-YZ6/4FLL-YZ6_ligand.pdbqt | data/4F/4FLL-YZ6/4FLL-YZ6_target.pdbqt | data/4F/4FLL-YZ6/4FLL-YZ6_decoys.pdbqt | data/4F/4FLL-YZ6/4FLL-YZ6_decoy_scores.csv |
4FB4-DHC | data/4F/4FB4-DHC/4FB4-DHC_ligand.pdbqt | data/4F/4FB4-DHC/4FB4-DHC_target.pdbqt | data/4F/4FB4-DHC/4FB4-DHC_decoys.pdbqt | data/4F/4FB4-DHC/4FB4-DHC_decoy_scores.csv |
4F8Z-BL2 | data/4F/4F8Z-BL2/4F8Z-BL2_ligand.pdbqt | data/4F/4F8Z-BL2/4F8Z-BL2_target.pdbqt | data/4F/4F8Z-BL2/4F8Z-BL2_decoys.pdbqt | data/4F/4F8Z-BL2/4F8Z-BL2_decoy_scores.csv |
4FT8-CMP | data/4F/4FT8-CMP/4FT8-CMP_ligand.pdbqt | data/4F/4FT8-CMP/4FT8-CMP_target.pdbqt | data/4F/4FT8-CMP/4FT8-CMP_decoys.pdbqt | data/4F/4FT8-CMP/4FT8-CMP_decoy_scores.csv |
4FPE-0H9 | data/4F/4FPE-0H9/4FPE-0H9_ligand.pdbqt | data/4F/4FPE-0H9/4FPE-0H9_target.pdbqt | data/4F/4FPE-0H9/4FPE-0H9_decoys.pdbqt | data/4F/4FPE-0H9/4FPE-0H9_decoy_scores.csv |
4FEV-KAN | data/4F/4FEV-KAN/4FEV-KAN_ligand.pdbqt | data/4F/4FEV-KAN/4FEV-KAN_target.pdbqt | data/4F/4FEV-KAN/4FEV-KAN_decoys.pdbqt | data/4F/4FEV-KAN/4FEV-KAN_decoy_scores.csv |
4FAL-0T0 | data/4F/4FAL-0T0/4FAL-0T0_ligand.pdbqt | data/4F/4FAL-0T0/4FAL-0T0_target.pdbqt | data/4F/4FAL-0T0/4FAL-0T0_decoys.pdbqt | data/4F/4FAL-0T0/4FAL-0T0_decoy_scores.csv |
4F8L-AES | data/4F/4F8L-AES/4F8L-AES_ligand.pdbqt | data/4F/4F8L-AES/4F8L-AES_target.pdbqt | data/4F/4F8L-AES/4F8L-AES_decoys.pdbqt | data/4F/4F8L-AES/4F8L-AES_decoy_scores.csv |
4FOA-UFP | data/4F/4FOA-UFP/4FOA-UFP_ligand.pdbqt | data/4F/4FOA-UFP/4FOA-UFP_target.pdbqt | data/4F/4FOA-UFP/4FOA-UFP_decoys.pdbqt | data/4F/4FOA-UFP/4FOA-UFP_decoy_scores.csv |
4FMS-BDP | data/4F/4FMS-BDP/4FMS-BDP_ligand.pdbqt | data/4F/4FMS-BDP/4FMS-BDP_target.pdbqt | data/4F/4FMS-BDP/4FMS-BDP_decoys.pdbqt | data/4F/4FMS-BDP/4FMS-BDP_decoy_scores.csv |
4F1W-ADE | data/4F/4F1W-ADE/4F1W-ADE_ligand.pdbqt | data/4F/4F1W-ADE/4F1W-ADE_target.pdbqt | data/4F/4F1W-ADE/4F1W-ADE_decoys.pdbqt | data/4F/4F1W-ADE/4F1W-ADE_decoy_scores.csv |
4F22-KAI | data/4F/4F22-KAI/4F22-KAI_ligand.pdbqt | data/4F/4F22-KAI/4F22-KAI_target.pdbqt | data/4F/4F22-KAI/4F22-KAI_decoys.pdbqt | data/4F/4F22-KAI/4F22-KAI_decoy_scores.csv |
4F8J-HC4 | data/4F/4F8J-HC4/4F8J-HC4_ligand.pdbqt | data/4F/4F8J-HC4/4F8J-HC4_target.pdbqt | data/4F/4F8J-HC4/4F8J-HC4_decoys.pdbqt | data/4F/4F8J-HC4/4F8J-HC4_decoy_scores.csv |
4FQ8-SKM | data/4F/4FQ8-SKM/4FQ8-SKM_ligand.pdbqt | data/4F/4FQ8-SKM/4FQ8-SKM_target.pdbqt | data/4F/4FQ8-SKM/4FQ8-SKM_decoys.pdbqt | data/4F/4FQ8-SKM/4FQ8-SKM_decoy_scores.csv |
4FTM-1HK | data/4F/4FTM-1HK/4FTM-1HK_ligand.pdbqt | data/4F/4FTM-1HK/4FTM-1HK_target.pdbqt | data/4F/4FTM-1HK/4FTM-1HK_decoys.pdbqt | data/4F/4FTM-1HK/4FTM-1HK_decoy_scores.csv |
4FR1-0V2 | data/4F/4FR1-0V2/4FR1-0V2_ligand.pdbqt | data/4F/4FR1-0V2/4FR1-0V2_target.pdbqt | data/4F/4FR1-0V2/4FR1-0V2_decoys.pdbqt | data/4F/4FR1-0V2/4FR1-0V2_decoy_scores.csv |
4FZ7-0VH | data/4F/4FZ7-0VH/4FZ7-0VH_ligand.pdbqt | data/4F/4FZ7-0VH/4FZ7-0VH_target.pdbqt | data/4F/4FZ7-0VH/4FZ7-0VH_decoys.pdbqt | data/4F/4FZ7-0VH/4FZ7-0VH_decoy_scores.csv |
4F9A-ADP | data/4F/4F9A-ADP/4F9A-ADP_ligand.pdbqt | data/4F/4F9A-ADP/4F9A-ADP_target.pdbqt | data/4F/4F9A-ADP/4F9A-ADP_decoys.pdbqt | data/4F/4F9A-ADP/4F9A-ADP_decoy_scores.csv |
4F3G-KAI | data/4F/4F3G-KAI/4F3G-KAI_ligand.pdbqt | data/4F/4F3G-KAI/4F3G-KAI_target.pdbqt | data/4F/4F3G-KAI/4F3G-KAI_decoys.pdbqt | data/4F/4F3G-KAI/4F3G-KAI_decoy_scores.csv |
4F8M-THP | data/4F/4F8M-THP/4F8M-THP_ligand.pdbqt | data/4F/4F8M-THP/4F8M-THP_target.pdbqt | data/4F/4F8M-THP/4F8M-THP_decoys.pdbqt | data/4F/4F8M-THP/4F8M-THP_decoy_scores.csv |
4F96-GDP | data/4F/4F96-GDP/4F96-GDP_ligand.pdbqt | data/4F/4F96-GDP/4F96-GDP_target.pdbqt | data/4F/4F96-GDP/4F96-GDP_decoys.pdbqt | data/4F/4F96-GDP/4F96-GDP_decoy_scores.csv |
4F56-CGK | data/4F/4F56-CGK/4F56-CGK_ligand.pdbqt | data/4F/4F56-CGK/4F56-CGK_target.pdbqt | data/4F/4F56-CGK/4F56-CGK_decoys.pdbqt | data/4F/4F56-CGK/4F56-CGK_decoy_scores.csv |
4FIC-0UL | data/4F/4FIC-0UL/4FIC-0UL_ligand.pdbqt | data/4F/4FIC-0UL/4FIC-0UL_target.pdbqt | data/4F/4FIC-0UL/4FIC-0UL_decoys.pdbqt | data/4F/4FIC-0UL/4FIC-0UL_decoy_scores.csv |
4FFP-0TF | data/4F/4FFP-0TF/4FFP-0TF_ligand.pdbqt | data/4F/4FFP-0TF/4FFP-0TF_target.pdbqt | data/4F/4FFP-0TF/4FFP-0TF_decoys.pdbqt | data/4F/4FFP-0TF/4FFP-0TF_decoy_scores.csv |
4FRJ-DWB | data/4F/4FRJ-DWB/4FRJ-DWB_ligand.pdbqt | data/4F/4FRJ-DWB/4FRJ-DWB_target.pdbqt | data/4F/4FRJ-DWB/4FRJ-DWB_decoys.pdbqt | data/4F/4FRJ-DWB/4FRJ-DWB_decoy_scores.csv |
4FQW-UDP | data/4F/4FQW-UDP/4FQW-UDP_ligand.pdbqt | data/4F/4FQW-UDP/4FQW-UDP_target.pdbqt | data/4F/4FQW-UDP/4FQW-UDP_decoys.pdbqt | data/4F/4FQW-UDP/4FQW-UDP_decoy_scores.csv |
4FRZ-ADP | data/4F/4FRZ-ADP/4FRZ-ADP_ligand.pdbqt | data/4F/4FRZ-ADP/4FRZ-ADP_target.pdbqt | data/4F/4FRZ-ADP/4FRZ-ADP_decoys.pdbqt | data/4F/4FRZ-ADP/4FRZ-ADP_decoy_scores.csv |
4FK6-0UJ | data/4F/4FK6-0UJ/4FK6-0UJ_ligand.pdbqt | data/4F/4FK6-0UJ/4FK6-0UJ_target.pdbqt | data/4F/4FK6-0UJ/4FK6-0UJ_decoys.pdbqt | data/4F/4FK6-0UJ/4FK6-0UJ_decoy_scores.csv |
4FUV-C8E | data/4F/4FUV-C8E/4FUV-C8E_ligand.pdbqt | data/4F/4FUV-C8E/4FUV-C8E_target.pdbqt | data/4F/4FUV-C8E/4FUV-C8E_decoys.pdbqt | data/4F/4FUV-C8E/4FUV-C8E_decoy_scores.csv |
4FVW-H4B | data/4F/4FVW-H4B/4FVW-H4B_ligand.pdbqt | data/4F/4FVW-H4B/4FVW-H4B_target.pdbqt | data/4F/4FVW-H4B/4FVW-H4B_decoys.pdbqt | data/4F/4FVW-H4B/4FVW-H4B_decoy_scores.csv |
4F32-N32 | data/4F/4F32-N32/4F32-N32_ligand.pdbqt | data/4F/4F32-N32/4F32-N32_target.pdbqt | data/4F/4F32-N32/4F32-N32_decoys.pdbqt | data/4F/4F32-N32/4F32-N32_decoy_scores.csv |
4F4D-CHD | data/4F/4F4D-CHD/4F4D-CHD_ligand.pdbqt | data/4F/4F4D-CHD/4F4D-CHD_target.pdbqt | data/4F/4F4D-CHD/4F4D-CHD_decoys.pdbqt | data/4F/4F4D-CHD/4F4D-CHD_decoy_scores.csv |
4FBB-ADE | data/4F/4FBB-ADE/4FBB-ADE_ligand.pdbqt | data/4F/4FBB-ADE/4FBB-ADE_target.pdbqt | data/4F/4FBB-ADE/4FBB-ADE_decoys.pdbqt | data/4F/4FBB-ADE/4FBB-ADE_decoy_scores.csv |
4FP2-IJ6 | data/4F/4FP2-IJ6/4FP2-IJ6_ligand.pdbqt | data/4F/4FP2-IJ6/4FP2-IJ6_target.pdbqt | data/4F/4FP2-IJ6/4FP2-IJ6_decoys.pdbqt | data/4F/4FP2-IJ6/4FP2-IJ6_decoy_scores.csv |
4FV1-EK4 | data/4F/4FV1-EK4/4FV1-EK4_ligand.pdbqt | data/4F/4FV1-EK4/4FV1-EK4_target.pdbqt | data/4F/4FV1-EK4/4FV1-EK4_decoys.pdbqt | data/4F/4FV1-EK4/4FV1-EK4_decoy_scores.csv |
4FS3-0WE | data/4F/4FS3-0WE/4FS3-0WE_ligand.pdbqt | data/4F/4FS3-0WE/4FS3-0WE_target.pdbqt | data/4F/4FS3-0WE/4FS3-0WE_decoys.pdbqt | data/4F/4FS3-0WE/4FS3-0WE_decoy_scores.csv |
4FKQ-42K | data/4F/4FKQ-42K/4FKQ-42K_ligand.pdbqt | data/4F/4FKQ-42K/4FKQ-42K_target.pdbqt | data/4F/4FKQ-42K/4FKQ-42K_decoys.pdbqt | data/4F/4FKQ-42K/4FKQ-42K_decoy_scores.csv |
4FXP-ADX | data/4F/4FXP-ADX/4FXP-ADX_ligand.pdbqt | data/4F/4FXP-ADX/4FXP-ADX_target.pdbqt | data/4F/4FXP-ADX/4FXP-ADX_decoys.pdbqt | data/4F/4FXP-ADX/4FXP-ADX_decoy_scores.csv |
4F94-1S6 | data/4F/4F94-1S6/4F94-1S6_ligand.pdbqt | data/4F/4F94-1S6/4F94-1S6_target.pdbqt | data/4F/4F94-1S6/4F94-1S6_decoys.pdbqt | data/4F/4F94-1S6/4F94-1S6_decoy_scores.csv |
4FB7-BTB | data/4F/4FB7-BTB/4FB7-BTB_ligand.pdbqt | data/4F/4FB7-BTB/4FB7-BTB_target.pdbqt | data/4F/4FB7-BTB/4FB7-BTB_decoys.pdbqt | data/4F/4FB7-BTB/4FB7-BTB_decoy_scores.csv |
4FRM-UDP | data/4F/4FRM-UDP/4FRM-UDP_ligand.pdbqt | data/4F/4FRM-UDP/4FRM-UDP_target.pdbqt | data/4F/4FRM-UDP/4FRM-UDP_decoys.pdbqt | data/4F/4FRM-UDP/4FRM-UDP_decoy_scores.csv |
4FBP-AMP | data/4F/4FBP-AMP/4FBP-AMP_ligand.pdbqt | data/4F/4FBP-AMP/4FBP-AMP_target.pdbqt | data/4F/4FBP-AMP/4FBP-AMP_decoys.pdbqt | data/4F/4FBP-AMP/4FBP-AMP_decoy_scores.csv |
4FV9-E71 | data/4F/4FV9-E71/4FV9-E71_ligand.pdbqt | data/4F/4FV9-E71/4FV9-E71_target.pdbqt | data/4F/4FV9-E71/4FV9-E71_decoys.pdbqt | data/4F/4FV9-E71/4FV9-E71_decoy_scores.csv |
4FYX-UTP | data/4F/4FYX-UTP/4FYX-UTP_ligand.pdbqt | data/4F/4FYX-UTP/4FYX-UTP_target.pdbqt | data/4F/4FYX-UTP/4FYX-UTP_decoys.pdbqt | data/4F/4FYX-UTP/4FYX-UTP_decoy_scores.csv |
4FRK-DWD | data/4F/4FRK-DWD/4FRK-DWD_ligand.pdbqt | data/4F/4FRK-DWD/4FRK-DWD_target.pdbqt | data/4F/4FRK-DWD/4FRK-DWD_decoys.pdbqt | data/4F/4FRK-DWD/4FRK-DWD_decoy_scores.csv |
4FV0-EK3 | data/4F/4FV0-EK3/4FV0-EK3_ligand.pdbqt | data/4F/4FV0-EK3/4FV0-EK3_target.pdbqt | data/4F/4FV0-EK3/4FV0-EK3_decoys.pdbqt | data/4F/4FV0-EK3/4FV0-EK3_decoy_scores.csv |
4FPF-JKK | data/4F/4FPF-JKK/4FPF-JKK_ligand.pdbqt | data/4F/4FPF-JKK/4FPF-JKK_target.pdbqt | data/4F/4FPF-JKK/4FPF-JKK_decoys.pdbqt | data/4F/4FPF-JKK/4FPF-JKK_decoy_scores.csv |
4FSN-A58 | data/4F/4FSN-A58/4FSN-A58_ligand.pdbqt | data/4F/4FSN-A58/4FSN-A58_target.pdbqt | data/4F/4FSN-A58/4FSN-A58_decoys.pdbqt | data/4F/4FSN-A58/4FSN-A58_decoy_scores.csv |
4FKZ-UD1 | data/4F/4FKZ-UD1/4FKZ-UD1_ligand.pdbqt | data/4F/4FKZ-UD1/4FKZ-UD1_target.pdbqt | data/4F/4FKZ-UD1/4FKZ-UD1_decoys.pdbqt | data/4F/4FKZ-UD1/4FKZ-UD1_decoy_scores.csv |
4FZJ-0W1 | data/4F/4FZJ-0W1/4FZJ-0W1_ligand.pdbqt | data/4F/4FZJ-0W1/4FZJ-0W1_target.pdbqt | data/4F/4FZJ-0W1/4FZJ-0W1_decoys.pdbqt | data/4F/4FZJ-0W1/4FZJ-0W1_decoy_scores.csv |
4FYX-DCP | data/4F/4FYX-DCP/4FYX-DCP_ligand.pdbqt | data/4F/4FYX-DCP/4FYX-DCP_target.pdbqt | data/4F/4FYX-DCP/4FYX-DCP_decoys.pdbqt | data/4F/4FYX-DCP/4FYX-DCP_decoy_scores.csv |
4FRH-GAL | data/4F/4FRH-GAL/4FRH-GAL_ligand.pdbqt | data/4F/4FRH-GAL/4FRH-GAL_target.pdbqt | data/4F/4FRH-GAL/4FRH-GAL_decoys.pdbqt | data/4F/4FRH-GAL/4FRH-GAL_decoy_scores.csv |
4F04-PAL | data/4F/4F04-PAL/4F04-PAL_ligand.pdbqt | data/4F/4F04-PAL/4F04-PAL_target.pdbqt | data/4F/4F04-PAL/4F04-PAL_decoys.pdbqt | data/4F/4F04-PAL/4F04-PAL_decoy_scores.csv |
4FU5-0VX | data/4F/4FU5-0VX/4FU5-0VX_ligand.pdbqt | data/4F/4FU5-0VX/4FU5-0VX_target.pdbqt | data/4F/4FU5-0VX/4FU5-0VX_decoys.pdbqt | data/4F/4FU5-0VX/4FU5-0VX_decoy_scores.csv |
4FXA-AAG | data/4F/4FXA-AAG/4FXA-AAG_ligand.pdbqt | data/4F/4FXA-AAG/4FXA-AAG_target.pdbqt | data/4F/4FXA-AAG/4FXA-AAG_decoys.pdbqt | data/4F/4FXA-AAG/4FXA-AAG_decoy_scores.csv |
4FL2-ANP | data/4F/4FL2-ANP/4FL2-ANP_ligand.pdbqt | data/4F/4FL2-ANP/4FL2-ANP_target.pdbqt | data/4F/4FL2-ANP/4FL2-ANP_decoys.pdbqt | data/4F/4FL2-ANP/4FL2-ANP_decoy_scores.csv |
4FR5-SKM | data/4F/4FR5-SKM/4FR5-SKM_ligand.pdbqt | data/4F/4FR5-SKM/4FR5-SKM_target.pdbqt | data/4F/4FR5-SKM/4FR5-SKM_decoys.pdbqt | data/4F/4FR5-SKM/4FR5-SKM_decoy_scores.csv |
4FRR-0VC | data/4F/4FRR-0VC/4FRR-0VC_ligand.pdbqt | data/4F/4FRR-0VC/4FRR-0VC_target.pdbqt | data/4F/4FRR-0VC/4FRR-0VC_decoys.pdbqt | data/4F/4FRR-0VC/4FRR-0VC_decoy_scores.csv |
4FGZ-SAH | data/4F/4FGZ-SAH/4FGZ-SAH_ligand.pdbqt | data/4F/4FGZ-SAH/4FGZ-SAH_target.pdbqt | data/4F/4FGZ-SAH/4FGZ-SAH_decoys.pdbqt | data/4F/4FGZ-SAH/4FGZ-SAH_decoy_scores.csv |
4FVX-H4B | data/4F/4FVX-H4B/4FVX-H4B_ligand.pdbqt | data/4F/4FVX-H4B/4FVX-H4B_target.pdbqt | data/4F/4FVX-H4B/4FVX-H4B_decoys.pdbqt | data/4F/4FVX-H4B/4FVX-H4B_decoy_scores.csv |
4FRB-UDP | data/4F/4FRB-UDP/4FRB-UDP_ligand.pdbqt | data/4F/4FRB-UDP/4FRB-UDP_target.pdbqt | data/4F/4FRB-UDP/4FRB-UDP_decoys.pdbqt | data/4F/4FRB-UDP/4FRB-UDP_decoy_scores.csv |
4F3B-GLU | data/4F/4F3B-GLU/4F3B-GLU_ligand.pdbqt | data/4F/4F3B-GLU/4F3B-GLU_target.pdbqt | data/4F/4F3B-GLU/4F3B-GLU_decoys.pdbqt | data/4F/4F3B-GLU/4F3B-GLU_decoy_scores.csv |
4FSL-0VB | data/4F/4FSL-0VB/4FSL-0VB_ligand.pdbqt | data/4F/4FSL-0VB/4FSL-0VB_target.pdbqt | data/4F/4FSL-0VB/4FSL-0VB_decoys.pdbqt | data/4F/4FSL-0VB/4FSL-0VB_decoy_scores.csv |
4F4A-UDP | data/4F/4F4A-UDP/4F4A-UDP_ligand.pdbqt | data/4F/4F4A-UDP/4F4A-UDP_target.pdbqt | data/4F/4F4A-UDP/4F4A-UDP_decoys.pdbqt | data/4F/4F4A-UDP/4F4A-UDP_decoy_scores.csv |
4F0F-ACP | data/4F/4F0F-ACP/4F0F-ACP_ligand.pdbqt | data/4F/4F0F-ACP/4F0F-ACP_target.pdbqt | data/4F/4F0F-ACP/4F0F-ACP_decoys.pdbqt | data/4F/4F0F-ACP/4F0F-ACP_decoy_scores.csv |
4FYZ-CNL | data/4F/4FYZ-CNL/4FYZ-CNL_ligand.pdbqt | data/4F/4FYZ-CNL/4FYZ-CNL_target.pdbqt | data/4F/4FYZ-CNL/4FYZ-CNL_decoys.pdbqt | data/4F/4FYZ-CNL/4FYZ-CNL_decoy_scores.csv |
4FFO-ATP | data/4F/4FFO-ATP/4FFO-ATP_ligand.pdbqt | data/4F/4FFO-ATP/4FFO-ATP_target.pdbqt | data/4F/4FFO-ATP/4FFO-ATP_decoys.pdbqt | data/4F/4FFO-ATP/4FFO-ATP_decoy_scores.csv |
4FYI-6C6 | data/4F/4FYI-6C6/4FYI-6C6_ligand.pdbqt | data/4F/4FYI-6C6/4FYI-6C6_target.pdbqt | data/4F/4FYI-6C6/4FYI-6C6_decoys.pdbqt | data/4F/4FYI-6C6/4FYI-6C6_decoy_scores.csv |
4F9Z-PE4 | data/4F/4F9Z-PE4/4F9Z-PE4_ligand.pdbqt | data/4F/4F9Z-PE4/4F9Z-PE4_target.pdbqt | data/4F/4F9Z-PE4/4F9Z-PE4_decoys.pdbqt | data/4F/4F9Z-PE4/4F9Z-PE4_decoy_scores.csv |
4FW4-3P3 | data/4F/4FW4-3P3/4FW4-3P3_ligand.pdbqt | data/4F/4FW4-3P3/4FW4-3P3_target.pdbqt | data/4F/4FW4-3P3/4FW4-3P3_decoys.pdbqt | data/4F/4FW4-3P3/4FW4-3P3_decoy_scores.csv |
4FOU-C2E | data/4F/4FOU-C2E/4FOU-C2E_ligand.pdbqt | data/4F/4FOU-C2E/4FOU-C2E_target.pdbqt | data/4F/4FOU-C2E/4FOU-C2E_decoys.pdbqt | data/4F/4FOU-C2E/4FOU-C2E_decoy_scores.csv |
4FW3-L52 | data/4F/4FW3-L52/4FW3-L52_ligand.pdbqt | data/4F/4FW3-L52/4FW3-L52_target.pdbqt | data/4F/4FW3-L52/4FW3-L52_decoys.pdbqt | data/4F/4FW3-L52/4FW3-L52_decoy_scores.csv |
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