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 ⌀ |
|---|---|---|---|---|
4G37-SLU | data/4G/4G37-SLU/4G37-SLU_ligand.pdbqt | data/4G/4G37-SLU/4G37-SLU_target.pdbqt | data/4G/4G37-SLU/4G37-SLU_decoys.pdbqt | data/4G/4G37-SLU/4G37-SLU_decoy_scores.csv |
4GV2-5ME | data/4G/4GV2-5ME/4GV2-5ME_ligand.pdbqt | data/4G/4GV2-5ME/4GV2-5ME_target.pdbqt | data/4G/4GV2-5ME/4GV2-5ME_decoys.pdbqt | data/4G/4GV2-5ME/4GV2-5ME_decoy_scores.csv |
4GHG-P6G | data/4G/4GHG-P6G/4GHG-P6G_ligand.pdbqt | data/4G/4GHG-P6G/4GHG-P6G_target.pdbqt | data/4G/4GHG-P6G/4GHG-P6G_decoys.pdbqt | data/4G/4GHG-P6G/4GHG-P6G_decoy_scores.csv |
4GYI-ADP | data/4G/4GYI-ADP/4GYI-ADP_ligand.pdbqt | data/4G/4GYI-ADP/4GYI-ADP_target.pdbqt | data/4G/4GYI-ADP/4GYI-ADP_decoys.pdbqt | data/4G/4GYI-ADP/4GYI-ADP_decoy_scores.csv |
4GQQ-0XR | data/4G/4GQQ-0XR/4GQQ-0XR_ligand.pdbqt | data/4G/4GQQ-0XR/4GQQ-0XR_target.pdbqt | data/4G/4GQQ-0XR/4GQQ-0XR_decoys.pdbqt | data/4G/4GQQ-0XR/4GQQ-0XR_decoy_scores.csv |
4GDB-17O | data/4G/4GDB-17O/4GDB-17O_ligand.pdbqt | data/4G/4GDB-17O/4GDB-17O_target.pdbqt | data/4G/4GDB-17O/4GDB-17O_decoys.pdbqt | data/4G/4GDB-17O/4GDB-17O_decoy_scores.csv |
4GV0-8ME | data/4G/4GV0-8ME/4GV0-8ME_ligand.pdbqt | data/4G/4GV0-8ME/4GV0-8ME_target.pdbqt | data/4G/4GV0-8ME/4GV0-8ME_decoys.pdbqt | data/4G/4GV0-8ME/4GV0-8ME_decoy_scores.csv |
4GQ0-QAP | data/4G/4GQ0-QAP/4GQ0-QAP_ligand.pdbqt | data/4G/4GQ0-QAP/4GQ0-QAP_target.pdbqt | data/4G/4GQ0-QAP/4GQ0-QAP_decoys.pdbqt | data/4G/4GQ0-QAP/4GQ0-QAP_decoy_scores.csv |
4GCQ-0JM | data/4G/4GCQ-0JM/4GCQ-0JM_ligand.pdbqt | data/4G/4GCQ-0JM/4GCQ-0JM_target.pdbqt | data/4G/4GCQ-0JM/4GCQ-0JM_decoys.pdbqt | data/4G/4GCQ-0JM/4GCQ-0JM_decoy_scores.csv |
4GVH-0XY | data/4G/4GVH-0XY/4GVH-0XY_ligand.pdbqt | data/4G/4GVH-0XY/4GVH-0XY_target.pdbqt | data/4G/4GVH-0XY/4GVH-0XY_decoys.pdbqt | data/4G/4GVH-0XY/4GVH-0XY_decoy_scores.csv |
4GH8-MTX | data/4G/4GH8-MTX/4GH8-MTX_ligand.pdbqt | data/4G/4GH8-MTX/4GH8-MTX_target.pdbqt | data/4G/4GH8-MTX/4GH8-MTX_decoys.pdbqt | data/4G/4GH8-MTX/4GH8-MTX_decoy_scores.csv |
4GNI-ATP | data/4G/4GNI-ATP/4GNI-ATP_ligand.pdbqt | data/4G/4GNI-ATP/4GNI-ATP_target.pdbqt | data/4G/4GNI-ATP/4GNI-ATP_decoys.pdbqt | data/4G/4GNI-ATP/4GNI-ATP_decoy_scores.csv |
4GMI-0XA | data/4G/4GMI-0XA/4GMI-0XA_ligand.pdbqt | data/4G/4GMI-0XA/4GMI-0XA_target.pdbqt | data/4G/4GMI-0XA/4GMI-0XA_decoys.pdbqt | data/4G/4GMI-0XA/4GMI-0XA_decoy_scores.csv |
4G8J-THM | data/4G/4G8J-THM/4G8J-THM_ligand.pdbqt | data/4G/4G8J-THM/4G8J-THM_target.pdbqt | data/4G/4G8J-THM/4G8J-THM_decoys.pdbqt | data/4G/4G8J-THM/4G8J-THM_decoy_scores.csv |
4GNO-SPV | data/4G/4GNO-SPV/4GNO-SPV_ligand.pdbqt | data/4G/4GNO-SPV/4GNO-SPV_target.pdbqt | data/4G/4GNO-SPV/4GNO-SPV_decoys.pdbqt | data/4G/4GNO-SPV/4GNO-SPV_decoy_scores.csv |
4GTM-7TM | data/4G/4GTM-7TM/4GTM-7TM_ligand.pdbqt | data/4G/4GTM-7TM/4GTM-7TM_target.pdbqt | data/4G/4GTM-7TM/4GTM-7TM_decoys.pdbqt | data/4G/4GTM-7TM/4GTM-7TM_decoy_scores.csv |
4GLJ-RHB | data/4G/4GLJ-RHB/4GLJ-RHB_ligand.pdbqt | data/4G/4GLJ-RHB/4GLJ-RHB_target.pdbqt | data/4G/4GLJ-RHB/4GLJ-RHB_decoys.pdbqt | data/4G/4GLJ-RHB/4GLJ-RHB_decoy_scores.csv |
4GN9-BGC | data/4G/4GN9-BGC/4GN9-BGC_ligand.pdbqt | data/4G/4GN9-BGC/4GN9-BGC_target.pdbqt | data/4G/4GN9-BGC/4GN9-BGC_decoys.pdbqt | data/4G/4GN9-BGC/4GN9-BGC_decoy_scores.csv |
4GI4-0EX | data/4G/4GI4-0EX/4GI4-0EX_ligand.pdbqt | data/4G/4GI4-0EX/4GI4-0EX_target.pdbqt | data/4G/4GI4-0EX/4GI4-0EX_decoys.pdbqt | data/4G/4GI4-0EX/4GI4-0EX_decoy_scores.csv |
4GA8-SBI | data/4G/4GA8-SBI/4GA8-SBI_ligand.pdbqt | data/4G/4GA8-SBI/4GA8-SBI_target.pdbqt | data/4G/4GA8-SBI/4GA8-SBI_decoys.pdbqt | data/4G/4GA8-SBI/4GA8-SBI_decoy_scores.csv |
4GZL-GNP | data/4G/4GZL-GNP/4GZL-GNP_ligand.pdbqt | data/4G/4GZL-GNP/4GZL-GNP_target.pdbqt | data/4G/4GZL-GNP/4GZL-GNP_decoys.pdbqt | data/4G/4GZL-GNP/4GZL-GNP_decoy_scores.csv |
4GHI-0X3 | data/4G/4GHI-0X3/4GHI-0X3_ligand.pdbqt | data/4G/4GHI-0X3/4GHI-0X3_target.pdbqt | data/4G/4GHI-0X3/4GHI-0X3_decoys.pdbqt | data/4G/4GHI-0X3/4GHI-0X3_decoy_scores.csv |
4GU9-4GU | data/4G/4GU9-4GU/4GU9-4GU_ligand.pdbqt | data/4G/4GU9-4GU/4GU9-4GU_target.pdbqt | data/4G/4GU9-4GU/4GU9-4GU_decoys.pdbqt | data/4G/4GU9-4GU/4GU9-4GU_decoy_scores.csv |
4G3S-UD1 | data/4G/4G3S-UD1/4G3S-UD1_ligand.pdbqt | data/4G/4G3S-UD1/4G3S-UD1_target.pdbqt | data/4G/4G3S-UD1/4G3S-UD1_decoys.pdbqt | data/4G/4G3S-UD1/4G3S-UD1_decoy_scores.csv |
4GHE-4NC | data/4G/4GHE-4NC/4GHE-4NC_ligand.pdbqt | data/4G/4GHE-4NC/4GHE-4NC_target.pdbqt | data/4G/4GHE-4NC/4GHE-4NC_decoys.pdbqt | data/4G/4GHE-4NC/4GHE-4NC_decoy_scores.csv |
4G8Z-TOP | data/4G/4G8Z-TOP/4G8Z-TOP_ligand.pdbqt | data/4G/4G8Z-TOP/4G8Z-TOP_target.pdbqt | data/4G/4G8Z-TOP/4G8Z-TOP_decoys.pdbqt | data/4G/4G8Z-TOP/4G8Z-TOP_decoy_scores.csv |
4GD6-MA4 | data/4G/4GD6-MA4/4GD6-MA4_ligand.pdbqt | data/4G/4GD6-MA4/4GD6-MA4_target.pdbqt | data/4G/4GD6-MA4/4GD6-MA4_decoys.pdbqt | data/4G/4GD6-MA4/4GD6-MA4_decoy_scores.csv |
4GRQ-AVL | data/4G/4GRQ-AVL/4GRQ-AVL_ligand.pdbqt | data/4G/4GRQ-AVL/4GRQ-AVL_target.pdbqt | data/4G/4GRQ-AVL/4GRQ-AVL_decoys.pdbqt | data/4G/4GRQ-AVL/4GRQ-AVL_decoy_scores.csv |
4GR1-RGS | data/4G/4GR1-RGS/4GR1-RGS_ligand.pdbqt | data/4G/4GR1-RGS/4GR1-RGS_target.pdbqt | data/4G/4GR1-RGS/4GR1-RGS_decoys.pdbqt | data/4G/4GR1-RGS/4GR1-RGS_decoy_scores.csv |
4GYY-12V | data/4G/4GYY-12V/4GYY-12V_ligand.pdbqt | data/4G/4GYY-12V/4GYY-12V_target.pdbqt | data/4G/4GYY-12V/4GYY-12V_decoys.pdbqt | data/4G/4GYY-12V/4GYY-12V_decoy_scores.csv |
4GVA-ADP | data/4G/4GVA-ADP/4GVA-ADP_ligand.pdbqt | data/4G/4GVA-ADP/4GVA-ADP_target.pdbqt | data/4G/4GVA-ADP/4GVA-ADP_decoys.pdbqt | data/4G/4GVA-ADP/4GVA-ADP_decoy_scores.csv |
4GVY-ADP | data/4G/4GVY-ADP/4GVY-ADP_ligand.pdbqt | data/4G/4GVY-ADP/4GVY-ADP_target.pdbqt | data/4G/4GVY-ADP/4GVY-ADP_decoys.pdbqt | data/4G/4GVY-ADP/4GVY-ADP_decoy_scores.csv |
4G8V-0EY | data/4G/4G8V-0EY/4G8V-0EY_ligand.pdbqt | data/4G/4G8V-0EY/4G8V-0EY_target.pdbqt | data/4G/4G8V-0EY/4G8V-0EY_decoys.pdbqt | data/4G/4G8V-0EY/4G8V-0EY_decoy_scores.csv |
4GCS-1RG | data/4G/4GCS-1RG/4GCS-1RG_ligand.pdbqt | data/4G/4GCS-1RG/4GCS-1RG_target.pdbqt | data/4G/4GCS-1RG/4GCS-1RG_decoys.pdbqt | data/4G/4GCS-1RG/4GCS-1RG_decoy_scores.csv |
4GOJ-GNP | data/4G/4GOJ-GNP/4GOJ-GNP_ligand.pdbqt | data/4G/4GOJ-GNP/4GOJ-GNP_target.pdbqt | data/4G/4GOJ-GNP/4GOJ-GNP_decoys.pdbqt | data/4G/4GOJ-GNP/4GOJ-GNP_decoy_scores.csv |
4G5F-0JD | data/4G/4G5F-0JD/4G5F-0JD_ligand.pdbqt | data/4G/4G5F-0JD/4G5F-0JD_target.pdbqt | data/4G/4G5F-0JD/4G5F-0JD_decoys.pdbqt | data/4G/4G5F-0JD/4G5F-0JD_decoy_scores.csv |
4GTF-UMP | data/4G/4GTF-UMP/4GTF-UMP_ligand.pdbqt | data/4G/4GTF-UMP/4GTF-UMP_target.pdbqt | data/4G/4GTF-UMP/4GTF-UMP_decoys.pdbqt | data/4G/4GTF-UMP/4GTF-UMP_decoy_scores.csv |
4GSP-SGP | data/4G/4GSP-SGP/4GSP-SGP_ligand.pdbqt | data/4G/4GSP-SGP/4GSP-SGP_target.pdbqt | data/4G/4GSP-SGP/4GSP-SGP_decoys.pdbqt | data/4G/4GSP-SGP/4GSP-SGP_decoy_scores.csv |
4G2T-TYD | data/4G/4G2T-TYD/4G2T-TYD_ligand.pdbqt | data/4G/4G2T-TYD/4G2T-TYD_target.pdbqt | data/4G/4G2T-TYD/4G2T-TYD_decoys.pdbqt | data/4G/4G2T-TYD/4G2T-TYD_decoy_scores.csv |
4GIY-0WY | data/4G/4GIY-0WY/4GIY-0WY_ligand.pdbqt | data/4G/4GIY-0WY/4GIY-0WY_target.pdbqt | data/4G/4GIY-0WY/4GIY-0WY_decoys.pdbqt | data/4G/4GIY-0WY/4GIY-0WY_decoy_scores.csv |
4GS9-PE8 | data/4G/4GS9-PE8/4GS9-PE8_ligand.pdbqt | data/4G/4GS9-PE8/4GS9-PE8_target.pdbqt | data/4G/4GS9-PE8/4GS9-PE8_decoys.pdbqt | data/4G/4GS9-PE8/4GS9-PE8_decoy_scores.csv |
4GLW-NMN | data/4G/4GLW-NMN/4GLW-NMN_ligand.pdbqt | data/4G/4GLW-NMN/4GLW-NMN_target.pdbqt | data/4G/4GLW-NMN/4GLW-NMN_decoys.pdbqt | data/4G/4GLW-NMN/4GLW-NMN_decoy_scores.csv |
4GFD-0YB | data/4G/4GFD-0YB/4GFD-0YB_ligand.pdbqt | data/4G/4GFD-0YB/4GFD-0YB_target.pdbqt | data/4G/4GFD-0YB/4GFD-0YB_decoys.pdbqt | data/4G/4GFD-0YB/4GFD-0YB_decoy_scores.csv |
4GUY-KLJ | data/4G/4GUY-KLJ/4GUY-KLJ_ligand.pdbqt | data/4G/4GUY-KLJ/4GUY-KLJ_target.pdbqt | data/4G/4GUY-KLJ/4GUY-KLJ_decoys.pdbqt | data/4G/4GUY-KLJ/4GUY-KLJ_decoy_scores.csv |
4GME-CS2 | data/4G/4GME-CS2/4GME-CS2_ligand.pdbqt | data/4G/4GME-CS2/4GME-CS2_target.pdbqt | data/4G/4GME-CS2/4GME-CS2_decoys.pdbqt | data/4G/4GME-CS2/4GME-CS2_decoy_scores.csv |
4GM1-TZD | data/4G/4GM1-TZD/4GM1-TZD_ligand.pdbqt | data/4G/4GM1-TZD/4GM1-TZD_target.pdbqt | data/4G/4GM1-TZD/4GM1-TZD_decoys.pdbqt | data/4G/4GM1-TZD/4GM1-TZD_decoy_scores.csv |
4G6I-RS3 | data/4G/4G6I-RS3/4G6I-RS3_ligand.pdbqt | data/4G/4G6I-RS3/4G6I-RS3_target.pdbqt | data/4G/4G6I-RS3/4G6I-RS3_decoys.pdbqt | data/4G/4G6I-RS3/4G6I-RS3_decoy_scores.csv |
4G1Z-0VP | data/4G/4G1Z-0VP/4G1Z-0VP_ligand.pdbqt | data/4G/4G1Z-0VP/4G1Z-0VP_target.pdbqt | data/4G/4G1Z-0VP/4G1Z-0VP_decoys.pdbqt | data/4G/4G1Z-0VP/4G1Z-0VP_decoy_scores.csv |
4GLO-NAD | data/4G/4GLO-NAD/4GLO-NAD_ligand.pdbqt | data/4G/4GLO-NAD/4GLO-NAD_target.pdbqt | data/4G/4GLO-NAD/4GLO-NAD_decoys.pdbqt | data/4G/4GLO-NAD/4GLO-NAD_decoy_scores.csv |
4GJ5-0LR | data/4G/4GJ5-0LR/4GJ5-0LR_ligand.pdbqt | data/4G/4GJ5-0LR/4GJ5-0LR_target.pdbqt | data/4G/4GJ5-0LR/4GJ5-0LR_decoys.pdbqt | data/4G/4GJ5-0LR/4GJ5-0LR_decoy_scores.csv |
4GV8-DUP | data/4G/4GV8-DUP/4GV8-DUP_ligand.pdbqt | data/4G/4GV8-DUP/4GV8-DUP_target.pdbqt | data/4G/4GV8-DUP/4GV8-DUP_decoys.pdbqt | data/4G/4GV8-DUP/4GV8-DUP_decoy_scores.csv |
4G1C-CNA | data/4G/4G1C-CNA/4G1C-CNA_ligand.pdbqt | data/4G/4G1C-CNA/4G1C-CNA_target.pdbqt | data/4G/4G1C-CNA/4G1C-CNA_decoys.pdbqt | data/4G/4G1C-CNA/4G1C-CNA_decoy_scores.csv |
4GSU-DWZ | data/4G/4GSU-DWZ/4GSU-DWZ_ligand.pdbqt | data/4G/4GSU-DWZ/4GSU-DWZ_target.pdbqt | data/4G/4GSU-DWZ/4GSU-DWZ_decoys.pdbqt | data/4G/4GSU-DWZ/4GSU-DWZ_decoy_scores.csv |
4G6O-E28 | data/4G/4G6O-E28/4G6O-E28_ligand.pdbqt | data/4G/4G6O-E28/4G6O-E28_target.pdbqt | data/4G/4G6O-E28/4G6O-E28_decoys.pdbqt | data/4G/4G6O-E28/4G6O-E28_decoy_scores.csv |
4GNP-GDP | data/4G/4GNP-GDP/4GNP-GDP_ligand.pdbqt | data/4G/4GNP-GDP/4GNP-GDP_target.pdbqt | data/4G/4GNP-GDP/4GNP-GDP_decoys.pdbqt | data/4G/4GNP-GDP/4GNP-GDP_decoy_scores.csv |
4G5I-DB7 | data/4G/4G5I-DB7/4G5I-DB7_ligand.pdbqt | data/4G/4G5I-DB7/4G5I-DB7_target.pdbqt | data/4G/4G5I-DB7/4G5I-DB7_decoys.pdbqt | data/4G/4G5I-DB7/4G5I-DB7_decoy_scores.csv |
4GTT-7TQ | data/4G/4GTT-7TQ/4GTT-7TQ_ligand.pdbqt | data/4G/4GTT-7TQ/4GTT-7TQ_target.pdbqt | data/4G/4GTT-7TQ/4GTT-7TQ_decoys.pdbqt | data/4G/4GTT-7TQ/4GTT-7TQ_decoy_scores.csv |
4GW2-ADP | data/4G/4GW2-ADP/4GW2-ADP_ligand.pdbqt | data/4G/4GW2-ADP/4GW2-ADP_target.pdbqt | data/4G/4GW2-ADP/4GW2-ADP_decoys.pdbqt | data/4G/4GW2-ADP/4GW2-ADP_decoy_scores.csv |
4G9S-FLC | data/4G/4G9S-FLC/4G9S-FLC_ligand.pdbqt | data/4G/4G9S-FLC/4G9S-FLC_target.pdbqt | data/4G/4G9S-FLC/4G9S-FLC_decoys.pdbqt | data/4G/4G9S-FLC/4G9S-FLC_decoy_scores.csv |
4GFG-0XF | data/4G/4GFG-0XF/4GFG-0XF_ligand.pdbqt | data/4G/4GFG-0XF/4GFG-0XF_target.pdbqt | data/4G/4GFG-0XF/4GFG-0XF_decoys.pdbqt | data/4G/4GFG-0XF/4GFG-0XF_decoy_scores.csv |
4GMM-GTP | data/4G/4GMM-GTP/4GMM-GTP_ligand.pdbqt | data/4G/4GMM-GTP/4GMM-GTP_target.pdbqt | data/4G/4GMM-GTP/4GMM-GTP_decoys.pdbqt | data/4G/4GMM-GTP/4GMM-GTP_decoy_scores.csv |
4GBU-0WV | data/4G/4GBU-0WV/4GBU-0WV_ligand.pdbqt | data/4G/4GBU-0WV/4GBU-0WV_target.pdbqt | data/4G/4GBU-0WV/4GBU-0WV_decoys.pdbqt | data/4G/4GBU-0WV/4GBU-0WV_decoy_scores.csv |
4GBU-FMN | data/4G/4GBU-FMN/4GBU-FMN_ligand.pdbqt | data/4G/4GBU-FMN/4GBU-FMN_target.pdbqt | data/4G/4GBU-FMN/4GBU-FMN_decoys.pdbqt | data/4G/4GBU-FMN/4GBU-FMN_decoy_scores.csv |
4GF5-SAH | data/4G/4GF5-SAH/4GF5-SAH_ligand.pdbqt | data/4G/4GF5-SAH/4GF5-SAH_target.pdbqt | data/4G/4GF5-SAH/4GF5-SAH_decoys.pdbqt | data/4G/4GF5-SAH/4GF5-SAH_decoy_scores.csv |
4G0N-GNP | data/4G/4G0N-GNP/4G0N-GNP_ligand.pdbqt | data/4G/4G0N-GNP/4G0N-GNP_target.pdbqt | data/4G/4G0N-GNP/4G0N-GNP_decoys.pdbqt | data/4G/4G0N-GNP/4G0N-GNP_decoy_scores.csv |
4GC9-SAM | data/4G/4GC9-SAM/4GC9-SAM_ligand.pdbqt | data/4G/4GC9-SAM/4GC9-SAM_target.pdbqt | data/4G/4GC9-SAM/4GC9-SAM_decoys.pdbqt | data/4G/4GC9-SAM/4GC9-SAM_decoy_scores.csv |
4GT1-DGI | data/4G/4GT1-DGI/4GT1-DGI_ligand.pdbqt | data/4G/4GT1-DGI/4GT1-DGI_target.pdbqt | data/4G/4GT1-DGI/4GT1-DGI_decoys.pdbqt | data/4G/4GT1-DGI/4GT1-DGI_decoy_scores.csv |
4G27-PHU | data/4G/4G27-PHU/4G27-PHU_ligand.pdbqt | data/4G/4G27-PHU/4G27-PHU_target.pdbqt | data/4G/4G27-PHU/4G27-PHU_decoys.pdbqt | data/4G/4G27-PHU/4G27-PHU_decoy_scores.csv |
4GHG-DHY | data/4G/4GHG-DHY/4GHG-DHY_ligand.pdbqt | data/4G/4GHG-DHY/4GHG-DHY_target.pdbqt | data/4G/4GHG-DHY/4GHG-DHY_decoys.pdbqt | data/4G/4GHG-DHY/4GHG-DHY_decoy_scores.csv |
4GV1-0XZ | data/4G/4GV1-0XZ/4GV1-0XZ_ligand.pdbqt | data/4G/4GV1-0XZ/4GV1-0XZ_target.pdbqt | data/4G/4GV1-0XZ/4GV1-0XZ_decoys.pdbqt | data/4G/4GV1-0XZ/4GV1-0XZ_decoy_scores.csv |
4GSP-3GP | data/4G/4GSP-3GP/4GSP-3GP_ligand.pdbqt | data/4G/4GSP-3GP/4GSP-3GP_target.pdbqt | data/4G/4GSP-3GP/4GSP-3GP_decoys.pdbqt | data/4G/4GSP-3GP/4GSP-3GP_decoy_scores.csv |
4GK4-L90 | data/4G/4GK4-L90/4GK4-L90_ligand.pdbqt | data/4G/4GK4-L90/4GK4-L90_target.pdbqt | data/4G/4GK4-L90/4GK4-L90_decoys.pdbqt | data/4G/4GK4-L90/4GK4-L90_decoy_scores.csv |
4GPE-TZD | data/4G/4GPE-TZD/4GPE-TZD_ligand.pdbqt | data/4G/4GPE-TZD/4GPE-TZD_target.pdbqt | data/4G/4GPE-TZD/4GPE-TZD_decoys.pdbqt | data/4G/4GPE-TZD/4GPE-TZD_decoy_scores.csv |
4GJC-0MJ | data/4G/4GJC-0MJ/4GJC-0MJ_ligand.pdbqt | data/4G/4GJC-0MJ/4GJC-0MJ_target.pdbqt | data/4G/4GJC-0MJ/4GJC-0MJ_decoys.pdbqt | data/4G/4GJC-0MJ/4GJC-0MJ_decoy_scores.csv |
4G45-MQN | data/4G/4G45-MQN/4G45-MQN_ligand.pdbqt | data/4G/4G45-MQN/4G45-MQN_target.pdbqt | data/4G/4G45-MQN/4G45-MQN_decoys.pdbqt | data/4G/4G45-MQN/4G45-MQN_decoy_scores.csv |
4G3E-0WC | data/4G/4G3E-0WC/4G3E-0WC_ligand.pdbqt | data/4G/4G3E-0WC/4G3E-0WC_target.pdbqt | data/4G/4G3E-0WC/4G3E-0WC_decoys.pdbqt | data/4G/4G3E-0WC/4G3E-0WC_decoy_scores.csv |
4GYC-LFA | data/4G/4GYC-LFA/4GYC-LFA_ligand.pdbqt | data/4G/4GYC-LFA/4GYC-LFA_target.pdbqt | data/4G/4GYC-LFA/4GYC-LFA_decoys.pdbqt | data/4G/4GYC-LFA/4GYC-LFA_decoy_scores.csv |
4G37-XLX | data/4G/4G37-XLX/4G37-XLX_ligand.pdbqt | data/4G/4G37-XLX/4G37-XLX_target.pdbqt | data/4G/4G37-XLX/4G37-XLX_decoys.pdbqt | data/4G/4G37-XLX/4G37-XLX_decoy_scores.csv |
4GK3-L87 | data/4G/4GK3-L87/4GK3-L87_ligand.pdbqt | data/4G/4GK3-L87/4GK3-L87_target.pdbqt | data/4G/4GK3-L87/4GK3-L87_decoys.pdbqt | data/4G/4GK3-L87/4GK3-L87_decoy_scores.csv |
4G8R-96P | data/4G/4G8R-96P/4G8R-96P_ligand.pdbqt | data/4G/4G8R-96P/4G8R-96P_target.pdbqt | data/4G/4G8R-96P/4G8R-96P_decoys.pdbqt | data/4G/4G8R-96P/4G8R-96P_decoy_scores.csv |
4GNL-PEP | data/4G/4GNL-PEP/4GNL-PEP_ligand.pdbqt | data/4G/4GNL-PEP/4GNL-PEP_target.pdbqt | data/4G/4GNL-PEP/4GNL-PEP_decoys.pdbqt | data/4G/4GNL-PEP/4GNL-PEP_decoy_scores.csv |
4GB2-0LQ | data/4G/4GB2-0LQ/4GB2-0LQ_ligand.pdbqt | data/4G/4GB2-0LQ/4GB2-0LQ_target.pdbqt | data/4G/4GB2-0LQ/4GB2-0LQ_decoys.pdbqt | data/4G/4GB2-0LQ/4GB2-0LQ_decoy_scores.csv |
4GVD-ANS | data/4G/4GVD-ANS/4GVD-ANS_ligand.pdbqt | data/4G/4GVD-ANS/4GVD-ANS_target.pdbqt | data/4G/4GVD-ANS/4GVD-ANS_decoys.pdbqt | data/4G/4GVD-ANS/4GVD-ANS_decoy_scores.csv |
4G6Z-GLU | data/4G/4G6Z-GLU/4G6Z-GLU_ligand.pdbqt | data/4G/4G6Z-GLU/4G6Z-GLU_target.pdbqt | data/4G/4G6Z-GLU/4G6Z-GLU_decoys.pdbqt | data/4G/4G6Z-GLU/4G6Z-GLU_decoy_scores.csv |
4G2I-0VQ | data/4G/4G2I-0VQ/4G2I-0VQ_ligand.pdbqt | data/4G/4G2I-0VQ/4G2I-0VQ_target.pdbqt | data/4G/4G2I-0VQ/4G2I-0VQ_decoys.pdbqt | data/4G/4G2I-0VQ/4G2I-0VQ_decoy_scores.csv |
4G2J-0WF | data/4G/4G2J-0WF/4G2J-0WF_ligand.pdbqt | data/4G/4G2J-0WF/4G2J-0WF_target.pdbqt | data/4G/4G2J-0WF/4G2J-0WF_decoys.pdbqt | data/4G/4G2J-0WF/4G2J-0WF_decoy_scores.csv |
4GMY-0X5 | data/4G/4GMY-0X5/4GMY-0X5_ligand.pdbqt | data/4G/4GMY-0X5/4GMY-0X5_target.pdbqt | data/4G/4GMY-0X5/4GMY-0X5_decoys.pdbqt | data/4G/4GMY-0X5/4GMY-0X5_decoy_scores.csv |
4GTV-7TR | data/4G/4GTV-7TR/4GTV-7TR_ligand.pdbqt | data/4G/4GTV-7TR/4GTV-7TR_target.pdbqt | data/4G/4GTV-7TR/4GTV-7TR_decoys.pdbqt | data/4G/4GTV-7TR/4GTV-7TR_decoy_scores.csv |
4GIU-PRP | data/4G/4GIU-PRP/4GIU-PRP_ligand.pdbqt | data/4G/4GIU-PRP/4GIU-PRP_target.pdbqt | data/4G/4GIU-PRP/4GIU-PRP_decoys.pdbqt | data/4G/4GIU-PRP/4GIU-PRP_decoy_scores.csv |
4GXM-0WV | data/4G/4GXM-0WV/4GXM-0WV_ligand.pdbqt | data/4G/4GXM-0WV/4GXM-0WV_target.pdbqt | data/4G/4GXM-0WV/4GXM-0WV_decoys.pdbqt | data/4G/4GXM-0WV/4GXM-0WV_decoy_scores.csv |
4GIK-R5P | data/4G/4GIK-R5P/4GIK-R5P_ligand.pdbqt | data/4G/4GIK-R5P/4GIK-R5P_target.pdbqt | data/4G/4GIK-R5P/4GIK-R5P_decoys.pdbqt | data/4G/4GIK-R5P/4GIK-R5P_decoy_scores.csv |
4GP7-ATP | data/4G/4GP7-ATP/4GP7-ATP_ligand.pdbqt | data/4G/4GP7-ATP/4GP7-ATP_target.pdbqt | data/4G/4GP7-ATP/4GP7-ATP_decoys.pdbqt | data/4G/4GP7-ATP/4GP7-ATP_decoy_scores.csv |
4GAE-FOB | data/4G/4GAE-FOB/4GAE-FOB_ligand.pdbqt | data/4G/4GAE-FOB/4GAE-FOB_target.pdbqt | data/4G/4GAE-FOB/4GAE-FOB_decoys.pdbqt | data/4G/4GAE-FOB/4GAE-FOB_decoy_scores.csv |
4GVY-CIR | data/4G/4GVY-CIR/4GVY-CIR_ligand.pdbqt | data/4G/4GVY-CIR/4GVY-CIR_target.pdbqt | data/4G/4GVY-CIR/4GVY-CIR_decoys.pdbqt | data/4G/4GVY-CIR/4GVY-CIR_decoy_scores.csv |
4G3P-UD1 | data/4G/4G3P-UD1/4G3P-UD1_ligand.pdbqt | data/4G/4G3P-UD1/4G3P-UD1_target.pdbqt | data/4G/4G3P-UD1/4G3P-UD1_decoys.pdbqt | data/4G/4G3P-UD1/4G3P-UD1_decoy_scores.csv |
4GYW-UDP | data/4G/4GYW-UDP/4GYW-UDP_ligand.pdbqt | data/4G/4GYW-UDP/4GYW-UDP_target.pdbqt | data/4G/4GYW-UDP/4GYW-UDP_decoys.pdbqt | data/4G/4GYW-UDP/4GYW-UDP_decoy_scores.csv |
4GCA-2X9 | data/4G/4GCA-2X9/4GCA-2X9_ligand.pdbqt | data/4G/4GCA-2X9/4GCA-2X9_target.pdbqt | data/4G/4GCA-2X9/4GCA-2X9_decoys.pdbqt | data/4G/4GCA-2X9/4GCA-2X9_decoy_scores.csv |
4GGQ-861 | data/4G/4GGQ-861/4GGQ-861_ligand.pdbqt | data/4G/4GGQ-861/4GGQ-861_target.pdbqt | data/4G/4GGQ-861/4GGQ-861_decoys.pdbqt | data/4G/4GGQ-861/4GGQ-861_decoy_scores.csv |
4G0P-U5P | data/4G/4G0P-U5P/4G0P-U5P_ligand.pdbqt | data/4G/4G0P-U5P/4G0P-U5P_target.pdbqt | data/4G/4G0P-U5P/4G0P-U5P_decoys.pdbqt | data/4G/4G0P-U5P/4G0P-U5P_decoy_scores.csv |
4G9P-CDI | data/4G/4G9P-CDI/4G9P-CDI_ligand.pdbqt | data/4G/4G9P-CDI/4G9P-CDI_target.pdbqt | data/4G/4G9P-CDI/4G9P-CDI_decoys.pdbqt | data/4G/4G9P-CDI/4G9P-CDI_decoy_scores.csv |
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