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 ⌀ |
|---|---|---|---|---|
3M64-393 | data/3M/3M64-393/3M64-393_ligand.pdbqt | data/3M/3M64-393/3M64-393_target.pdbqt | data/3M/3M64-393/3M64-393_decoys.pdbqt | data/3M/3M64-393/3M64-393_decoy_scores.csv |
3MTA-22O | data/3M/3MTA-22O/3MTA-22O_ligand.pdbqt | data/3M/3MTA-22O/3MTA-22O_target.pdbqt | data/3M/3MTA-22O/3MTA-22O_decoys.pdbqt | data/3M/3MTA-22O/3MTA-22O_decoy_scores.csv |
3MNE-DEX | data/3M/3MNE-DEX/3MNE-DEX_ligand.pdbqt | data/3M/3MNE-DEX/3MNE-DEX_target.pdbqt | data/3M/3MNE-DEX/3MNE-DEX_decoys.pdbqt | data/3M/3MNE-DEX/3MNE-DEX_decoy_scores.csv |
3M1Z-BMP | data/3M/3M1Z-BMP/3M1Z-BMP_ligand.pdbqt | data/3M/3M1Z-BMP/3M1Z-BMP_target.pdbqt | data/3M/3M1Z-BMP/3M1Z-BMP_decoys.pdbqt | data/3M/3M1Z-BMP/3M1Z-BMP_decoy_scores.csv |
3M0I-ZST | data/3M/3M0I-ZST/3M0I-ZST_ligand.pdbqt | data/3M/3M0I-ZST/3M0I-ZST_target.pdbqt | data/3M/3M0I-ZST/3M0I-ZST_decoys.pdbqt | data/3M/3M0I-ZST/3M0I-ZST_decoy_scores.csv |
3MG5-BTN | data/3M/3MG5-BTN/3MG5-BTN_ligand.pdbqt | data/3M/3MG5-BTN/3MG5-BTN_target.pdbqt | data/3M/3MG5-BTN/3MG5-BTN_decoys.pdbqt | data/3M/3MG5-BTN/3MG5-BTN_decoy_scores.csv |
3M1V-TP7 | data/3M/3M1V-TP7/3M1V-TP7_ligand.pdbqt | data/3M/3M1V-TP7/3M1V-TP7_target.pdbqt | data/3M/3M1V-TP7/3M1V-TP7_decoys.pdbqt | data/3M/3M1V-TP7/3M1V-TP7_decoy_scores.csv |
3M0N-PE0 | data/3M/3M0N-PE0/3M0N-PE0_ligand.pdbqt | data/3M/3M0N-PE0/3M0N-PE0_target.pdbqt | data/3M/3M0N-PE0/3M0N-PE0_decoys.pdbqt | data/3M/3M0N-PE0/3M0N-PE0_decoy_scores.csv |
3M5P-F6P | data/3M/3M5P-F6P/3M5P-F6P_ligand.pdbqt | data/3M/3M5P-F6P/3M5P-F6P_target.pdbqt | data/3M/3M5P-F6P/3M5P-F6P_decoys.pdbqt | data/3M/3M5P-F6P/3M5P-F6P_decoy_scores.csv |
3MF2-AMP | data/3M/3MF2-AMP/3MF2-AMP_ligand.pdbqt | data/3M/3MF2-AMP/3MF2-AMP_target.pdbqt | data/3M/3MF2-AMP/3MF2-AMP_decoys.pdbqt | data/3M/3MF2-AMP/3MF2-AMP_decoy_scores.csv |
3MBM-717 | data/3M/3MBM-717/3MBM-717_ligand.pdbqt | data/3M/3MBM-717/3MBM-717_target.pdbqt | data/3M/3MBM-717/3MBM-717_decoys.pdbqt | data/3M/3MBM-717/3MBM-717_decoy_scores.csv |
3MTF-A3F | data/3M/3MTF-A3F/3MTF-A3F_ligand.pdbqt | data/3M/3MTF-A3F/3MTF-A3F_target.pdbqt | data/3M/3MTF-A3F/3MTF-A3F_decoys.pdbqt | data/3M/3MTF-A3F/3MTF-A3F_decoy_scores.csv |
3M7R-VDX | data/3M/3M7R-VDX/3M7R-VDX_ligand.pdbqt | data/3M/3M7R-VDX/3M7R-VDX_target.pdbqt | data/3M/3M7R-VDX/3M7R-VDX_decoys.pdbqt | data/3M/3M7R-VDX/3M7R-VDX_decoy_scores.csv |
3MBV-BXC | data/3M/3MBV-BXC/3MBV-BXC_ligand.pdbqt | data/3M/3MBV-BXC/3MBV-BXC_target.pdbqt | data/3M/3MBV-BXC/3MBV-BXC_decoys.pdbqt | data/3M/3MBV-BXC/3MBV-BXC_decoy_scores.csv |
3M2V-TP7 | data/3M/3M2V-TP7/3M2V-TP7_ligand.pdbqt | data/3M/3M2V-TP7/3M2V-TP7_target.pdbqt | data/3M/3M2V-TP7/3M2V-TP7_decoys.pdbqt | data/3M/3M2V-TP7/3M2V-TP7_decoy_scores.csv |
3MY5-RFZ | data/3M/3MY5-RFZ/3MY5-RFZ_ligand.pdbqt | data/3M/3MY5-RFZ/3MY5-RFZ_target.pdbqt | data/3M/3MY5-RFZ/3MY5-RFZ_decoys.pdbqt | data/3M/3MY5-RFZ/3MY5-RFZ_decoy_scores.csv |
3MHO-J43 | data/3M/3MHO-J43/3MHO-J43_ligand.pdbqt | data/3M/3MHO-J43/3MHO-J43_target.pdbqt | data/3M/3MHO-J43/3MHO-J43_decoys.pdbqt | data/3M/3MHO-J43/3MHO-J43_decoy_scores.csv |
3MYZ-TFX | data/3M/3MYZ-TFX/3MYZ-TFX_ligand.pdbqt | data/3M/3MYZ-TFX/3MYZ-TFX_target.pdbqt | data/3M/3MYZ-TFX/3MYZ-TFX_decoys.pdbqt | data/3M/3MYZ-TFX/3MYZ-TFX_decoy_scores.csv |
3MHG-13P | data/3M/3MHG-13P/3MHG-13P_ligand.pdbqt | data/3M/3MHG-13P/3MHG-13P_target.pdbqt | data/3M/3MHG-13P/3MHG-13P_decoys.pdbqt | data/3M/3MHG-13P/3MHG-13P_decoy_scores.csv |
3MZ6-B3N | data/3M/3MZ6-B3N/3MZ6-B3N_ligand.pdbqt | data/3M/3MZ6-B3N/3MZ6-B3N_target.pdbqt | data/3M/3MZ6-B3N/3MZ6-B3N_decoys.pdbqt | data/3M/3MZ6-B3N/3MZ6-B3N_decoy_scores.csv |
3MWI-B25 | data/3M/3MWI-B25/3MWI-B25_ligand.pdbqt | data/3M/3MWI-B25/3MWI-B25_target.pdbqt | data/3M/3MWI-B25/3MWI-B25_decoys.pdbqt | data/3M/3MWI-B25/3MWI-B25_decoy_scores.csv |
3MHB-THP | data/3M/3MHB-THP/3MHB-THP_ligand.pdbqt | data/3M/3MHB-THP/3MHB-THP_target.pdbqt | data/3M/3MHB-THP/3MHB-THP_decoys.pdbqt | data/3M/3MHB-THP/3MHB-THP_decoy_scores.csv |
3M84-AMP | data/3M/3M84-AMP/3M84-AMP_ligand.pdbqt | data/3M/3M84-AMP/3M84-AMP_target.pdbqt | data/3M/3M84-AMP/3M84-AMP_decoys.pdbqt | data/3M/3M84-AMP/3M84-AMP_decoy_scores.csv |
3MS2-18S | data/3M/3MS2-18S/3MS2-18S_ligand.pdbqt | data/3M/3MS2-18S/3MS2-18S_target.pdbqt | data/3M/3MS2-18S/3MS2-18S_decoys.pdbqt | data/3M/3MS2-18S/3MS2-18S_decoy_scores.csv |
3M2U-TP7 | data/3M/3M2U-TP7/3M2U-TP7_ligand.pdbqt | data/3M/3M2U-TP7/3M2U-TP7_target.pdbqt | data/3M/3M2U-TP7/3M2U-TP7_decoys.pdbqt | data/3M/3M2U-TP7/3M2U-TP7_decoy_scores.csv |
3M3Z-3F5 | data/3M/3M3Z-3F5/3M3Z-3F5_ligand.pdbqt | data/3M/3M3Z-3F5/3M3Z-3F5_target.pdbqt | data/3M/3M3Z-3F5/3M3Z-3F5_decoys.pdbqt | data/3M/3M3Z-3F5/3M3Z-3F5_decoy_scores.csv |
3MZS-HC9 | data/3M/3MZS-HC9/3MZS-HC9_ligand.pdbqt | data/3M/3MZS-HC9/3MZS-HC9_target.pdbqt | data/3M/3MZS-HC9/3MZS-HC9_decoys.pdbqt | data/3M/3MZS-HC9/3MZS-HC9_decoy_scores.csv |
3M94-M7M | data/3M/3M94-M7M/3M94-M7M_ligand.pdbqt | data/3M/3M94-M7M/3M94-M7M_target.pdbqt | data/3M/3M94-M7M/3M94-M7M_decoys.pdbqt | data/3M/3M94-M7M/3M94-M7M_decoy_scores.csv |
3MHI-J90 | data/3M/3MHI-J90/3MHI-J90_ligand.pdbqt | data/3M/3MHI-J90/3MHI-J90_target.pdbqt | data/3M/3MHI-J90/3MHI-J90_decoys.pdbqt | data/3M/3MHI-J90/3MHI-J90_decoy_scores.csv |
3MUZ-IPT | data/3M/3MUZ-IPT/3MUZ-IPT_ligand.pdbqt | data/3M/3MUZ-IPT/3MUZ-IPT_target.pdbqt | data/3M/3MUZ-IPT/3MUZ-IPT_decoys.pdbqt | data/3M/3MUZ-IPT/3MUZ-IPT_decoy_scores.csv |
3M4F-CXS | data/3M/3M4F-CXS/3M4F-CXS_ligand.pdbqt | data/3M/3M4F-CXS/3M4F-CXS_target.pdbqt | data/3M/3M4F-CXS/3M4F-CXS_decoys.pdbqt | data/3M/3M4F-CXS/3M4F-CXS_decoy_scores.csv |
3MUF-S3P | data/3M/3MUF-S3P/3MUF-S3P_ligand.pdbqt | data/3M/3MUF-S3P/3MUF-S3P_target.pdbqt | data/3M/3MUF-S3P/3MUF-S3P_decoys.pdbqt | data/3M/3MUF-S3P/3MUF-S3P_decoy_scores.csv |
3MJY-FMN | data/3M/3MJY-FMN/3MJY-FMN_ligand.pdbqt | data/3M/3MJY-FMN/3MJY-FMN_target.pdbqt | data/3M/3MJY-FMN/3MJY-FMN_decoys.pdbqt | data/3M/3MJY-FMN/3MJY-FMN_decoy_scores.csv |
3MBI-ADP | data/3M/3MBI-ADP/3MBI-ADP_ligand.pdbqt | data/3M/3MBI-ADP/3MBI-ADP_target.pdbqt | data/3M/3MBI-ADP/3MBI-ADP_decoys.pdbqt | data/3M/3MBI-ADP/3MBI-ADP_decoy_scores.csv |
3MP3-3HG | data/3M/3MP3-3HG/3MP3-3HG_ligand.pdbqt | data/3M/3MP3-3HG/3MP3-3HG_target.pdbqt | data/3M/3MP3-3HG/3MP3-3HG_decoys.pdbqt | data/3M/3MP3-3HG/3MP3-3HG_decoy_scores.csv |
3M49-PG5 | data/3M/3M49-PG5/3M49-PG5_ligand.pdbqt | data/3M/3M49-PG5/3M49-PG5_target.pdbqt | data/3M/3M49-PG5/3M49-PG5_decoys.pdbqt | data/3M/3M49-PG5/3M49-PG5_decoy_scores.csv |
3ML2-SU0 | data/3M/3ML2-SU0/3ML2-SU0_ligand.pdbqt | data/3M/3ML2-SU0/3ML2-SU0_target.pdbqt | data/3M/3ML2-SU0/3ML2-SU0_decoys.pdbqt | data/3M/3ML2-SU0/3ML2-SU0_decoy_scores.csv |
3M4J-PA9 | data/3M/3M4J-PA9/3M4J-PA9_ligand.pdbqt | data/3M/3M4J-PA9/3M4J-PA9_target.pdbqt | data/3M/3M4J-PA9/3M4J-PA9_decoys.pdbqt | data/3M/3M4J-PA9/3M4J-PA9_decoy_scores.csv |
3MTL-FEF | data/3M/3MTL-FEF/3MTL-FEF_ligand.pdbqt | data/3M/3MTL-FEF/3MTL-FEF_target.pdbqt | data/3M/3MTL-FEF/3MTL-FEF_decoys.pdbqt | data/3M/3MTL-FEF/3MTL-FEF_decoy_scores.csv |
3MA6-DXR | data/3M/3MA6-DXR/3MA6-DXR_ligand.pdbqt | data/3M/3MA6-DXR/3MA6-DXR_target.pdbqt | data/3M/3MA6-DXR/3MA6-DXR_decoys.pdbqt | data/3M/3MA6-DXR/3MA6-DXR_decoy_scores.csv |
3M02-2CF | data/3M/3M02-2CF/3M02-2CF_ligand.pdbqt | data/3M/3M02-2CF/3M02-2CF_target.pdbqt | data/3M/3M02-2CF/3M02-2CF_decoys.pdbqt | data/3M/3M02-2CF/3M02-2CF_decoy_scores.csv |
3MED-65B | data/3M/3MED-65B/3MED-65B_ligand.pdbqt | data/3M/3MED-65B/3MED-65B_target.pdbqt | data/3M/3MED-65B/3MED-65B_decoys.pdbqt | data/3M/3MED-65B/3MED-65B_decoy_scores.csv |
3MYH-ADP | data/3M/3MYH-ADP/3MYH-ADP_ligand.pdbqt | data/3M/3MYH-ADP/3MYH-ADP_target.pdbqt | null | null |
3M49-BTB | data/3M/3M49-BTB/3M49-BTB_ligand.pdbqt | data/3M/3M49-BTB/3M49-BTB_target.pdbqt | data/3M/3M49-BTB/3M49-BTB_decoys.pdbqt | data/3M/3M49-BTB/3M49-BTB_decoy_scores.csv |
3MW7-5FU | data/3M/3MW7-5FU/3MW7-5FU_ligand.pdbqt | data/3M/3MW7-5FU/3MW7-5FU_target.pdbqt | data/3M/3MW7-5FU/3MW7-5FU_decoys.pdbqt | data/3M/3MW7-5FU/3MW7-5FU_decoy_scores.csv |
3M07-BTB | data/3M/3M07-BTB/3M07-BTB_ligand.pdbqt | data/3M/3M07-BTB/3M07-BTB_target.pdbqt | data/3M/3M07-BTB/3M07-BTB_decoys.pdbqt | data/3M/3M07-BTB/3M07-BTB_decoy_scores.csv |
3ML5-AZM | data/3M/3ML5-AZM/3ML5-AZM_ligand.pdbqt | data/3M/3ML5-AZM/3ML5-AZM_target.pdbqt | data/3M/3ML5-AZM/3ML5-AZM_decoys.pdbqt | data/3M/3ML5-AZM/3ML5-AZM_decoy_scores.csv |
3M7I-RP5 | data/3M/3M7I-RP5/3M7I-RP5_ligand.pdbqt | data/3M/3M7I-RP5/3M7I-RP5_target.pdbqt | data/3M/3M7I-RP5/3M7I-RP5_decoys.pdbqt | data/3M/3M7I-RP5/3M7I-RP5_decoy_scores.csv |
3MPB-FRU | data/3M/3MPB-FRU/3MPB-FRU_ligand.pdbqt | data/3M/3MPB-FRU/3MPB-FRU_target.pdbqt | data/3M/3MPB-FRU/3MPB-FRU_decoys.pdbqt | data/3M/3MPB-FRU/3MPB-FRU_decoy_scores.csv |
3MTD-25E | data/3M/3MTD-25E/3MTD-25E_ligand.pdbqt | data/3M/3MTD-25E/3MTD-25E_target.pdbqt | data/3M/3MTD-25E/3MTD-25E_decoys.pdbqt | data/3M/3MTD-25E/3MTD-25E_decoy_scores.csv |
3M6P-BB2 | data/3M/3M6P-BB2/3M6P-BB2_ligand.pdbqt | data/3M/3M6P-BB2/3M6P-BB2_target.pdbqt | data/3M/3M6P-BB2/3M6P-BB2_decoys.pdbqt | data/3M/3M6P-BB2/3M6P-BB2_decoy_scores.csv |
3MN7-ATP | data/3M/3MN7-ATP/3MN7-ATP_ligand.pdbqt | data/3M/3MN7-ATP/3MN7-ATP_target.pdbqt | data/3M/3MN7-ATP/3MN7-ATP_decoys.pdbqt | data/3M/3MN7-ATP/3MN7-ATP_decoy_scores.csv |
3MWL-8OX | data/3M/3MWL-8OX/3MWL-8OX_ligand.pdbqt | data/3M/3MWL-8OX/3MWL-8OX_target.pdbqt | data/3M/3MWL-8OX/3MWL-8OX_decoys.pdbqt | data/3M/3MWL-8OX/3MWL-8OX_decoy_scores.csv |
3M8D-C8E | data/3M/3M8D-C8E/3M8D-C8E_ligand.pdbqt | data/3M/3M8D-C8E/3M8D-C8E_target.pdbqt | data/3M/3M8D-C8E/3M8D-C8E_decoys.pdbqt | data/3M/3M8D-C8E/3M8D-C8E_decoy_scores.csv |
3MKD-ADP | data/3M/3MKD-ADP/3MKD-ADP_ligand.pdbqt | data/3M/3MKD-ADP/3MKD-ADP_target.pdbqt | null | null |
3MEH-THP | data/3M/3MEH-THP/3MEH-THP_ligand.pdbqt | data/3M/3MEH-THP/3MEH-THP_target.pdbqt | data/3M/3MEH-THP/3MEH-THP_decoys.pdbqt | data/3M/3MEH-THP/3MEH-THP_decoy_scores.csv |
3M9F-595 | data/3M/3M9F-595/3M9F-595_ligand.pdbqt | data/3M/3M9F-595/3M9F-595_target.pdbqt | data/3M/3M9F-595/3M9F-595_decoys.pdbqt | data/3M/3M9F-595/3M9F-595_decoy_scores.csv |
3M6Q-BB2 | data/3M/3M6Q-BB2/3M6Q-BB2_ligand.pdbqt | data/3M/3M6Q-BB2/3M6Q-BB2_target.pdbqt | data/3M/3M6Q-BB2/3M6Q-BB2_decoys.pdbqt | data/3M/3M6Q-BB2/3M6Q-BB2_decoy_scores.csv |
3M55-SAH | data/3M/3M55-SAH/3M55-SAH_ligand.pdbqt | data/3M/3M55-SAH/3M55-SAH_target.pdbqt | data/3M/3M55-SAH/3M55-SAH_decoys.pdbqt | data/3M/3M55-SAH/3M55-SAH_decoy_scores.csv |
3M9V-TYD | data/3M/3M9V-TYD/3M9V-TYD_ligand.pdbqt | data/3M/3M9V-TYD/3M9V-TYD_target.pdbqt | data/3M/3M9V-TYD/3M9V-TYD_decoys.pdbqt | data/3M/3M9V-TYD/3M9V-TYD_decoy_scores.csv |
3MHK-P4L | data/3M/3MHK-P4L/3MHK-P4L_ligand.pdbqt | data/3M/3MHK-P4L/3MHK-P4L_target.pdbqt | data/3M/3MHK-P4L/3MHK-P4L_decoys.pdbqt | data/3M/3MHK-P4L/3MHK-P4L_decoy_scores.csv |
3MZ5-THP | data/3M/3MZ5-THP/3MZ5-THP_ligand.pdbqt | data/3M/3MZ5-THP/3MZ5-THP_target.pdbqt | data/3M/3MZ5-THP/3MZ5-THP_decoys.pdbqt | data/3M/3MZ5-THP/3MZ5-THP_decoy_scores.csv |
3MSS-MS7 | data/3M/3MSS-MS7/3MSS-MS7_ligand.pdbqt | data/3M/3MSS-MS7/3MSS-MS7_target.pdbqt | data/3M/3MSS-MS7/3MSS-MS7_decoys.pdbqt | data/3M/3MSS-MS7/3MSS-MS7_decoy_scores.csv |
3MRV-16F | data/3M/3MRV-16F/3MRV-16F_ligand.pdbqt | data/3M/3MRV-16F/3MRV-16F_target.pdbqt | data/3M/3MRV-16F/3MRV-16F_decoys.pdbqt | data/3M/3MRV-16F/3MRV-16F_decoy_scores.csv |
3MSX-GDP | data/3M/3MSX-GDP/3MSX-GDP_ligand.pdbqt | data/3M/3MSX-GDP/3MSX-GDP_target.pdbqt | data/3M/3MSX-GDP/3MSX-GDP_decoys.pdbqt | data/3M/3MSX-GDP/3MSX-GDP_decoy_scores.csv |
3MTW-M3R | data/3M/3MTW-M3R/3MTW-M3R_ligand.pdbqt | data/3M/3MTW-M3R/3MTW-M3R_target.pdbqt | data/3M/3MTW-M3R/3MTW-M3R_decoys.pdbqt | data/3M/3MTW-M3R/3MTW-M3R_decoy_scores.csv |
3M8B-C8E | data/3M/3M8B-C8E/3M8B-C8E_ligand.pdbqt | data/3M/3M8B-C8E/3M8B-C8E_target.pdbqt | data/3M/3M8B-C8E/3M8B-C8E_decoys.pdbqt | data/3M/3M8B-C8E/3M8B-C8E_decoy_scores.csv |
3MVR-CM5 | data/3M/3MVR-CM5/3MVR-CM5_ligand.pdbqt | data/3M/3MVR-CM5/3MVR-CM5_target.pdbqt | data/3M/3MVR-CM5/3MVR-CM5_decoys.pdbqt | data/3M/3MVR-CM5/3MVR-CM5_decoy_scores.csv |
3MWF-SE8 | data/3M/3MWF-SE8/3MWF-SE8_ligand.pdbqt | data/3M/3MWF-SE8/3MWF-SE8_target.pdbqt | data/3M/3MWF-SE8/3MWF-SE8_decoys.pdbqt | data/3M/3MWF-SE8/3MWF-SE8_decoy_scores.csv |
3M4N-PA9 | data/3M/3M4N-PA9/3M4N-PA9_ligand.pdbqt | data/3M/3M4N-PA9/3M4N-PA9_target.pdbqt | data/3M/3M4N-PA9/3M4N-PA9_decoys.pdbqt | data/3M/3M4N-PA9/3M4N-PA9_decoy_scores.csv |
3MBV-RET | data/3M/3MBV-RET/3MBV-RET_ligand.pdbqt | data/3M/3MBV-RET/3MBV-RET_target.pdbqt | data/3M/3MBV-RET/3MBV-RET_decoys.pdbqt | data/3M/3MBV-RET/3MBV-RET_decoy_scores.csv |
3MWU-BK3 | data/3M/3MWU-BK3/3MWU-BK3_ligand.pdbqt | data/3M/3MWU-BK3/3MWU-BK3_target.pdbqt | data/3M/3MWU-BK3/3MWU-BK3_decoys.pdbqt | data/3M/3MWU-BK3/3MWU-BK3_decoy_scores.csv |
3MB9-ZST | data/3M/3MB9-ZST/3MB9-ZST_ligand.pdbqt | data/3M/3MB9-ZST/3MB9-ZST_target.pdbqt | data/3M/3MB9-ZST/3MB9-ZST_decoys.pdbqt | data/3M/3MB9-ZST/3MB9-ZST_decoy_scores.csv |
3MEY-ATP | data/3M/3MEY-ATP/3MEY-ATP_ligand.pdbqt | data/3M/3MEY-ATP/3MEY-ATP_target.pdbqt | data/3M/3MEY-ATP/3MEY-ATP_decoys.pdbqt | data/3M/3MEY-ATP/3MEY-ATP_decoy_scores.csv |
3MWA-UFT | data/3M/3MWA-UFT/3MWA-UFT_ligand.pdbqt | data/3M/3MWA-UFT/3MWA-UFT_target.pdbqt | data/3M/3MWA-UFT/3MWA-UFT_decoys.pdbqt | data/3M/3MWA-UFT/3MWA-UFT_decoy_scores.csv |
3MCF-FLC | data/3M/3MCF-FLC/3MCF-FLC_ligand.pdbqt | data/3M/3MCF-FLC/3MCF-FLC_target.pdbqt | data/3M/3MCF-FLC/3MCF-FLC_decoys.pdbqt | data/3M/3MCF-FLC/3MCF-FLC_decoy_scores.csv |
3MHY-PG6 | data/3M/3MHY-PG6/3MHY-PG6_ligand.pdbqt | data/3M/3MHY-PG6/3MHY-PG6_target.pdbqt | data/3M/3MHY-PG6/3MHY-PG6_decoys.pdbqt | data/3M/3MHY-PG6/3MHY-PG6_decoy_scores.csv |
3M59-SAH | data/3M/3M59-SAH/3M59-SAH_ligand.pdbqt | data/3M/3M59-SAH/3M59-SAH_target.pdbqt | data/3M/3M59-SAH/3M59-SAH_decoys.pdbqt | data/3M/3M59-SAH/3M59-SAH_decoy_scores.csv |
3MZB-BHR | data/3M/3MZB-BHR/3MZB-BHR_ligand.pdbqt | data/3M/3MZB-BHR/3MZB-BHR_target.pdbqt | data/3M/3MZB-BHR/3MZB-BHR_decoys.pdbqt | data/3M/3MZB-BHR/3MZB-BHR_decoy_scores.csv |
3MX5-UTP | data/3M/3MX5-UTP/3MX5-UTP_ligand.pdbqt | data/3M/3MX5-UTP/3MX5-UTP_target.pdbqt | data/3M/3MX5-UTP/3MX5-UTP_decoys.pdbqt | data/3M/3MX5-UTP/3MX5-UTP_decoy_scores.csv |
3MPM-5LK | data/3M/3MPM-5LK/3MPM-5LK_ligand.pdbqt | data/3M/3MPM-5LK/3MPM-5LK_target.pdbqt | data/3M/3MPM-5LK/3MPM-5LK_decoys.pdbqt | data/3M/3MPM-5LK/3MPM-5LK_decoy_scores.csv |
3MZD-CXV | data/3M/3MZD-CXV/3MZD-CXV_ligand.pdbqt | data/3M/3MZD-CXV/3MZD-CXV_target.pdbqt | data/3M/3MZD-CXV/3MZD-CXV_decoys.pdbqt | data/3M/3MZD-CXV/3MZD-CXV_decoy_scores.csv |
3MTC-PIF | data/3M/3MTC-PIF/3MTC-PIF_ligand.pdbqt | data/3M/3MTC-PIF/3MTC-PIF_target.pdbqt | data/3M/3MTC-PIF/3MTC-PIF_decoys.pdbqt | data/3M/3MTC-PIF/3MTC-PIF_decoy_scores.csv |
3MA3-01I | data/3M/3MA3-01I/3MA3-01I_ligand.pdbqt | data/3M/3MA3-01I/3MA3-01I_target.pdbqt | data/3M/3MA3-01I/3MA3-01I_decoys.pdbqt | data/3M/3MA3-01I/3MA3-01I_decoy_scores.csv |
3MIY-B49 | data/3M/3MIY-B49/3MIY-B49_ligand.pdbqt | data/3M/3MIY-B49/3MIY-B49_target.pdbqt | data/3M/3MIY-B49/3MIY-B49_decoys.pdbqt | data/3M/3MIY-B49/3MIY-B49_decoy_scores.csv |
3M54-SAH | data/3M/3M54-SAH/3M54-SAH_ligand.pdbqt | data/3M/3M54-SAH/3M54-SAH_target.pdbqt | data/3M/3M54-SAH/3M54-SAH_decoys.pdbqt | data/3M/3M54-SAH/3M54-SAH_decoy_scores.csv |
3MHC-ARZ | data/3M/3MHC-ARZ/3MHC-ARZ_ligand.pdbqt | data/3M/3MHC-ARZ/3MHC-ARZ_target.pdbqt | data/3M/3MHC-ARZ/3MHC-ARZ_decoys.pdbqt | data/3M/3MHC-ARZ/3MHC-ARZ_decoy_scores.csv |
3MFS-ANP | data/3M/3MFS-ANP/3MFS-ANP_ligand.pdbqt | data/3M/3MFS-ANP/3MFS-ANP_target.pdbqt | data/3M/3MFS-ANP/3MFS-ANP_decoys.pdbqt | data/3M/3MFS-ANP/3MFS-ANP_decoy_scores.csv |
3MHL-J71 | data/3M/3MHL-J71/3MHL-J71_ligand.pdbqt | data/3M/3MHL-J71/3MHL-J71_target.pdbqt | data/3M/3MHL-J71/3MHL-J71_decoys.pdbqt | data/3M/3MHL-J71/3MHL-J71_decoy_scores.csv |
3MJR-AC2 | data/3M/3MJR-AC2/3MJR-AC2_ligand.pdbqt | data/3M/3MJR-AC2/3MJR-AC2_target.pdbqt | data/3M/3MJR-AC2/3MJR-AC2_decoys.pdbqt | data/3M/3MJR-AC2/3MJR-AC2_decoy_scores.csv |
3M6H-2RG | data/3M/3M6H-2RG/3M6H-2RG_ligand.pdbqt | data/3M/3M6H-2RG/3M6H-2RG_target.pdbqt | data/3M/3M6H-2RG/3M6H-2RG_decoys.pdbqt | data/3M/3M6H-2RG/3M6H-2RG_decoy_scores.csv |
3MO5-E72 | data/3M/3MO5-E72/3MO5-E72_ligand.pdbqt | data/3M/3MO5-E72/3MO5-E72_target.pdbqt | data/3M/3MO5-E72/3MO5-E72_decoys.pdbqt | data/3M/3MO5-E72/3MO5-E72_decoy_scores.csv |
3MN6-ATP | data/3M/3MN6-ATP/3MN6-ATP_ligand.pdbqt | data/3M/3MN6-ATP/3MN6-ATP_target.pdbqt | data/3M/3MN6-ATP/3MN6-ATP_decoys.pdbqt | data/3M/3MN6-ATP/3MN6-ATP_decoy_scores.csv |
3M1O-CJZ | data/3M/3M1O-CJZ/3M1O-CJZ_ligand.pdbqt | data/3M/3M1O-CJZ/3M1O-CJZ_target.pdbqt | data/3M/3M1O-CJZ/3M1O-CJZ_decoys.pdbqt | data/3M/3M1O-CJZ/3M1O-CJZ_decoy_scores.csv |
3M6F-BJZ | data/3M/3M6F-BJZ/3M6F-BJZ_ligand.pdbqt | data/3M/3M6F-BJZ/3M6F-BJZ_target.pdbqt | data/3M/3M6F-BJZ/3M6F-BJZ_decoys.pdbqt | data/3M/3M6F-BJZ/3M6F-BJZ_decoy_scores.csv |
3MFW-B3U | data/3M/3MFW-B3U/3MFW-B3U_ligand.pdbqt | data/3M/3MFW-B3U/3MFW-B3U_target.pdbqt | data/3M/3MFW-B3U/3MFW-B3U_decoys.pdbqt | data/3M/3MFW-B3U/3MFW-B3U_decoy_scores.csv |
3M1I-GTP | data/3M/3M1I-GTP/3M1I-GTP_ligand.pdbqt | data/3M/3M1I-GTP/3M1I-GTP_target.pdbqt | data/3M/3M1I-GTP/3M1I-GTP_decoys.pdbqt | data/3M/3M1I-GTP/3M1I-GTP_decoy_scores.csv |
3M6L-R5P | data/3M/3M6L-R5P/3M6L-R5P_ligand.pdbqt | data/3M/3M6L-R5P/3M6L-R5P_target.pdbqt | data/3M/3M6L-R5P/3M6L-R5P_decoys.pdbqt | data/3M/3M6L-R5P/3M6L-R5P_decoy_scores.csv |
3MZ4-B3N | data/3M/3MZ4-B3N/3MZ4-B3N_ligand.pdbqt | data/3M/3MZ4-B3N/3MZ4-B3N_target.pdbqt | data/3M/3MZ4-B3N/3MZ4-B3N_decoys.pdbqt | data/3M/3MZ4-B3N/3MZ4-B3N_decoy_scores.csv |
3MZ2-PE4 | data/3M/3MZ2-PE4/3MZ2-PE4_ligand.pdbqt | data/3M/3MZ2-PE4/3MZ2-PE4_target.pdbqt | data/3M/3MZ2-PE4/3MZ2-PE4_decoys.pdbqt | data/3M/3MZ2-PE4/3MZ2-PE4_decoy_scores.csv |
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