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 ⌀ |
|---|---|---|---|---|
8EZ4-X10 | data/8E/8EZ4-X10/8EZ4-X10_ligand.pdbqt | data/8E/8EZ4-X10/8EZ4-X10_target.pdbqt | data/8E/8EZ4-X10/8EZ4-X10_decoys.pdbqt | data/8E/8EZ4-X10/8EZ4-X10_decoy_scores.csv |
8EX3-X10 | data/8E/8EX3-X10/8EX3-X10_ligand.pdbqt | data/8E/8EX3-X10/8EX3-X10_target.pdbqt | data/8E/8EX3-X10/8EX3-X10_decoys.pdbqt | data/8E/8EX3-X10/8EX3-X10_decoy_scores.csv |
8E1K-HC4 | data/8E/8E1K-HC4/8E1K-HC4_ligand.pdbqt | data/8E/8E1K-HC4/8E1K-HC4_target.pdbqt | data/8E/8E1K-HC4/8E1K-HC4_decoys.pdbqt | data/8E/8E1K-HC4/8E1K-HC4_decoy_scores.csv |
8EGF-WIK | data/8E/8EGF-WIK/8EGF-WIK_ligand.pdbqt | data/8E/8EGF-WIK/8EGF-WIK_target.pdbqt | data/8E/8EGF-WIK/8EGF-WIK_decoys.pdbqt | data/8E/8EGF-WIK/8EGF-WIK_decoy_scores.csv |
8E3U-HCA | data/8E/8E3U-HCA/8E3U-HCA_ligand.pdbqt | data/8E/8E3U-HCA/8E3U-HCA_target.pdbqt | null | null |
8ENM-HCA | data/8E/8ENM-HCA/8ENM-HCA_ligand.pdbqt | data/8E/8ENM-HCA/8ENM-HCA_target.pdbqt | null | null |
8E0Y-52L | data/8E/8E0Y-52L/8E0Y-52L_ligand.pdbqt | data/8E/8E0Y-52L/8E0Y-52L_target.pdbqt | null | null |
8E81-UU6 | data/8E/8E81-UU6/8E81-UU6_ligand.pdbqt | data/8E/8E81-UU6/8E81-UU6_target.pdbqt | data/8E/8E81-UU6/8E81-UU6_decoys.pdbqt | data/8E/8E81-UU6/8E81-UU6_decoy_scores.csv |
8EX1-AD5 | data/8E/8EX1-AD5/8EX1-AD5_ligand.pdbqt | data/8E/8EX1-AD5/8EX1-AD5_target.pdbqt | data/8E/8EX1-AD5/8EX1-AD5_decoys.pdbqt | data/8E/8EX1-AD5/8EX1-AD5_decoy_scores.csv |
8EEF-OTS | data/8E/8EEF-OTS/8EEF-OTS_ligand.pdbqt | data/8E/8EEF-OTS/8EEF-OTS_target.pdbqt | data/8E/8EEF-OTS/8EEF-OTS_decoys.pdbqt | data/8E/8EEF-OTS/8EEF-OTS_decoy_scores.csv |
8E1V-IHP | data/8E/8E1V-IHP/8E1V-IHP_ligand.pdbqt | data/8E/8E1V-IHP/8E1V-IHP_target.pdbqt | data/8E/8E1V-IHP/8E1V-IHP_decoys.pdbqt | data/8E/8E1V-IHP/8E1V-IHP_decoy_scores.csv |
8E0V-GAL | data/8E/8E0V-GAL/8E0V-GAL_ligand.pdbqt | data/8E/8E0V-GAL/8E0V-GAL_target.pdbqt | data/8E/8E0V-GAL/8E0V-GAL_decoys.pdbqt | data/8E/8E0V-GAL/8E0V-GAL_decoy_scores.csv |
8EUL-XGE | data/8E/8EUL-XGE/8EUL-XGE_ligand.pdbqt | data/8E/8EUL-XGE/8EUL-XGE_target.pdbqt | data/8E/8EUL-XGE/8EUL-XGE_decoys.pdbqt | data/8E/8EUL-XGE/8EUL-XGE_decoy_scores.csv |
8EZ1-X8H | data/8E/8EZ1-X8H/8EZ1-X8H_ligand.pdbqt | data/8E/8EZ1-X8H/8EZ1-X8H_target.pdbqt | data/8E/8EZ1-X8H/8EZ1-X8H_decoys.pdbqt | data/8E/8EZ1-X8H/8EZ1-X8H_decoy_scores.csv |
8EYF-X4T | data/8E/8EYF-X4T/8EYF-X4T_ligand.pdbqt | data/8E/8EYF-X4T/8EYF-X4T_target.pdbqt | data/8E/8EYF-X4T/8EYF-X4T_decoys.pdbqt | data/8E/8EYF-X4T/8EYF-X4T_decoy_scores.csv |
8E0H-G4P | data/8E/8E0H-G4P/8E0H-G4P_ligand.pdbqt | data/8E/8E0H-G4P/8E0H-G4P_target.pdbqt | data/8E/8E0H-G4P/8E0H-G4P_decoys.pdbqt | data/8E/8E0H-G4P/8E0H-G4P_decoy_scores.csv |
8E3V-HCA | data/8E/8E3V-HCA/8E3V-HCA_ligand.pdbqt | data/8E/8E3V-HCA/8E3V-HCA_target.pdbqt | null | null |
8E4R-K36 | data/8E/8E4R-K36/8E4R-K36_ligand.pdbqt | data/8E/8E4R-K36/8E4R-K36_target.pdbqt | data/8E/8E4R-K36/8E4R-K36_decoys.pdbqt | data/8E/8E4R-K36/8E4R-K36_decoy_scores.csv |
8EXL-799 | data/8E/8EXL-799/8EXL-799_ligand.pdbqt | data/8E/8EXL-799/8EXL-799_target.pdbqt | data/8E/8EXL-799/8EXL-799_decoys.pdbqt | data/8E/8EXL-799/8EXL-799_decoy_scores.csv |
8EZF-ENJ | data/8E/8EZF-ENJ/8EZF-ENJ_ligand.pdbqt | data/8E/8EZF-ENJ/8EZF-ENJ_target.pdbqt | data/8E/8EZF-ENJ/8EZF-ENJ_decoys.pdbqt | data/8E/8EZF-ENJ/8EZF-ENJ_decoy_scores.csv |
8EOM-WNQ | data/8E/8EOM-WNQ/8EOM-WNQ_ligand.pdbqt | data/8E/8EOM-WNQ/8EOM-WNQ_target.pdbqt | data/8E/8EOM-WNQ/8EOM-WNQ_decoys.pdbqt | data/8E/8EOM-WNQ/8EOM-WNQ_decoy_scores.csv |
8E62-MJZ | data/8E/8E62-MJZ/8E62-MJZ_ligand.pdbqt | data/8E/8E62-MJZ/8E62-MJZ_target.pdbqt | data/8E/8E62-MJZ/8E62-MJZ_decoys.pdbqt | data/8E/8E62-MJZ/8E62-MJZ_decoy_scores.csv |
8EZ2-X68 | data/8E/8EZ2-X68/8EZ2-X68_ligand.pdbqt | data/8E/8EZ2-X68/8EZ2-X68_target.pdbqt | data/8E/8EZ2-X68/8EZ2-X68_decoys.pdbqt | data/8E/8EZ2-X68/8EZ2-X68_decoy_scores.csv |
8E6B-URR | data/8E/8E6B-URR/8E6B-URR_ligand.pdbqt | data/8E/8E6B-URR/8E6B-URR_target.pdbqt | data/8E/8E6B-URR/8E6B-URR_decoys.pdbqt | data/8E/8E6B-URR/8E6B-URR_decoy_scores.csv |
8E90-OQ4 | data/8E/8E90-OQ4/8E90-OQ4_ligand.pdbqt | data/8E/8E90-OQ4/8E90-OQ4_target.pdbqt | data/8E/8E90-OQ4/8E90-OQ4_decoys.pdbqt | data/8E/8E90-OQ4/8E90-OQ4_decoy_scores.csv |
8EGD-ADP | data/8E/8EGD-ADP/8EGD-ADP_ligand.pdbqt | data/8E/8EGD-ADP/8EGD-ADP_target.pdbqt | data/8E/8EGD-ADP/8EGD-ADP_decoys.pdbqt | data/8E/8EGD-ADP/8EGD-ADP_decoy_scores.csv |
8E1T-ANP | data/8E/8E1T-ANP/8E1T-ANP_ligand.pdbqt | data/8E/8E1T-ANP/8E1T-ANP_target.pdbqt | data/8E/8E1T-ANP/8E1T-ANP_decoys.pdbqt | data/8E/8E1T-ANP/8E1T-ANP_decoy_scores.csv |
8EYL-X5F | data/8E/8EYL-X5F/8EYL-X5F_ligand.pdbqt | data/8E/8EYL-X5F/8EYL-X5F_target.pdbqt | data/8E/8EYL-X5F/8EYL-X5F_decoys.pdbqt | data/8E/8EYL-X5F/8EYL-X5F_decoy_scores.csv |
8EAD-UY0 | data/8E/8EAD-UY0/8EAD-UY0_ligand.pdbqt | data/8E/8EAD-UY0/8EAD-UY0_target.pdbqt | data/8E/8EAD-UY0/8EAD-UY0_decoys.pdbqt | data/8E/8EAD-UY0/8EAD-UY0_decoy_scores.csv |
8E0V-PEP | data/8E/8E0V-PEP/8E0V-PEP_ligand.pdbqt | data/8E/8E0V-PEP/8E0V-PEP_target.pdbqt | data/8E/8E0V-PEP/8E0V-PEP_decoys.pdbqt | data/8E/8E0V-PEP/8E0V-PEP_decoy_scores.csv |
8EWZ-X0I | data/8E/8EWZ-X0I/8EWZ-X0I_ligand.pdbqt | data/8E/8EWZ-X0I/8EWZ-X0I_target.pdbqt | data/8E/8EWZ-X0I/8EWZ-X0I_decoys.pdbqt | data/8E/8EWZ-X0I/8EWZ-X0I_decoy_scores.csv |
8E61-VLU | data/8E/8E61-VLU/8E61-VLU_ligand.pdbqt | data/8E/8E61-VLU/8E61-VLU_target.pdbqt | data/8E/8E61-VLU/8E61-VLU_decoys.pdbqt | data/8E/8E61-VLU/8E61-VLU_decoy_scores.csv |
8EUH-XGE | data/8E/8EUH-XGE/8EUH-XGE_ligand.pdbqt | data/8E/8EUH-XGE/8EUH-XGE_target.pdbqt | data/8E/8EUH-XGE/8EUH-XGE_decoys.pdbqt | data/8E/8EUH-XGE/8EUH-XGE_decoy_scores.csv |
8EQZ-WQB | data/8E/8EQZ-WQB/8EQZ-WQB_ligand.pdbqt | data/8E/8EQZ-WQB/8EQZ-WQB_target.pdbqt | data/8E/8EQZ-WQB/8EQZ-WQB_decoys.pdbqt | data/8E/8EQZ-WQB/8EQZ-WQB_decoy_scores.csv |
8E5W-PLM | data/8E/8E5W-PLM/8E5W-PLM_ligand.pdbqt | data/8E/8E5W-PLM/8E5W-PLM_target.pdbqt | data/8E/8E5W-PLM/8E5W-PLM_decoys.pdbqt | data/8E/8E5W-PLM/8E5W-PLM_decoy_scores.csv |
8E1I-ATP | data/8E/8E1I-ATP/8E1I-ATP_ligand.pdbqt | data/8E/8E1I-ATP/8E1I-ATP_target.pdbqt | data/8E/8E1I-ATP/8E1I-ATP_decoys.pdbqt | data/8E/8E1I-ATP/8E1I-ATP_decoy_scores.csv |
4MOI-G3F | data/4M/4MOI-G3F/4MOI-G3F_ligand.pdbqt | data/4M/4MOI-G3F/4MOI-G3F_target.pdbqt | data/4M/4MOI-G3F/4MOI-G3F_decoys.pdbqt | data/4M/4MOI-G3F/4MOI-G3F_decoy_scores.csv |
4MD6-24E | data/4M/4MD6-24E/4MD6-24E_ligand.pdbqt | data/4M/4MD6-24E/4MD6-24E_target.pdbqt | data/4M/4MD6-24E/4MD6-24E_decoys.pdbqt | data/4M/4MD6-24E/4MD6-24E_decoy_scores.csv |
4M1T-GDP | data/4M/4M1T-GDP/4M1T-GDP_ligand.pdbqt | data/4M/4M1T-GDP/4M1T-GDP_target.pdbqt | data/4M/4M1T-GDP/4M1T-GDP_decoys.pdbqt | data/4M/4M1T-GDP/4M1T-GDP_decoy_scores.csv |
4MRZ-2ZV | data/4M/4MRZ-2ZV/4MRZ-2ZV_ligand.pdbqt | data/4M/4MRZ-2ZV/4MRZ-2ZV_target.pdbqt | data/4M/4MRZ-2ZV/4MRZ-2ZV_decoys.pdbqt | data/4M/4MRZ-2ZV/4MRZ-2ZV_decoy_scores.csv |
4MEO-25V | data/4M/4MEO-25V/4MEO-25V_ligand.pdbqt | data/4M/4MEO-25V/4MEO-25V_target.pdbqt | data/4M/4MEO-25V/4MEO-25V_decoys.pdbqt | data/4M/4MEO-25V/4MEO-25V_decoy_scores.csv |
4MWZ-CQA | data/4M/4MWZ-CQA/4MWZ-CQA_ligand.pdbqt | data/4M/4MWZ-CQA/4MWZ-CQA_target.pdbqt | data/4M/4MWZ-CQA/4MWZ-CQA_decoys.pdbqt | data/4M/4MWZ-CQA/4MWZ-CQA_decoy_scores.csv |
4MYA-IMP | data/4M/4MYA-IMP/4MYA-IMP_ligand.pdbqt | data/4M/4MYA-IMP/4MYA-IMP_target.pdbqt | data/4M/4MYA-IMP/4MYA-IMP_decoys.pdbqt | data/4M/4MYA-IMP/4MYA-IMP_decoy_scores.csv |
4MRF-2CK | data/4M/4MRF-2CK/4MRF-2CK_ligand.pdbqt | data/4M/4MRF-2CK/4MRF-2CK_target.pdbqt | data/4M/4MRF-2CK/4MRF-2CK_decoys.pdbqt | data/4M/4MRF-2CK/4MRF-2CK_decoy_scores.csv |
4MOP-2H5 | data/4M/4MOP-2H5/4MOP-2H5_ligand.pdbqt | data/4M/4MOP-2H5/4MOP-2H5_target.pdbqt | data/4M/4MOP-2H5/4MOP-2H5_decoys.pdbqt | data/4M/4MOP-2H5/4MOP-2H5_decoy_scores.csv |
4MPN-PV0 | data/4M/4MPN-PV0/4MPN-PV0_ligand.pdbqt | data/4M/4MPN-PV0/4MPN-PV0_target.pdbqt | data/4M/4MPN-PV0/4MPN-PV0_decoys.pdbqt | data/4M/4MPN-PV0/4MPN-PV0_decoy_scores.csv |
4MMD-29E | data/4M/4MMD-29E/4MMD-29E_ligand.pdbqt | data/4M/4MMD-29E/4MMD-29E_target.pdbqt | data/4M/4MMD-29E/4MMD-29E_decoys.pdbqt | data/4M/4MMD-29E/4MMD-29E_decoy_scores.csv |
4MQ4-2D5 | data/4M/4MQ4-2D5/4MQ4-2D5_ligand.pdbqt | data/4M/4MQ4-2D5/4MQ4-2D5_target.pdbqt | data/4M/4MQ4-2D5/4MQ4-2D5_decoys.pdbqt | data/4M/4MQ4-2D5/4MQ4-2D5_decoy_scores.csv |
4M52-M52 | data/4M/4M52-M52/4M52-M52_ligand.pdbqt | data/4M/4M52-M52/4M52-M52_target.pdbqt | data/4M/4M52-M52/4M52-M52_decoys.pdbqt | data/4M/4M52-M52/4M52-M52_decoy_scores.csv |
4MK0-29X | data/4M/4MK0-29X/4MK0-29X_ligand.pdbqt | data/4M/4MK0-29X/4MK0-29X_target.pdbqt | data/4M/4MK0-29X/4MK0-29X_decoys.pdbqt | data/4M/4MK0-29X/4MK0-29X_decoy_scores.csv |
4MVY-387 | data/4M/4MVY-387/4MVY-387_ligand.pdbqt | data/4M/4MVY-387/4MVY-387_target.pdbqt | null | null |
4MOQ-2FG | data/4M/4MOQ-2FG/4MOQ-2FG_ligand.pdbqt | data/4M/4MOQ-2FG/4MOQ-2FG_target.pdbqt | data/4M/4MOQ-2FG/4MOQ-2FG_decoys.pdbqt | data/4M/4MOQ-2FG/4MOQ-2FG_decoy_scores.csv |
4MZ7-DGT | data/4M/4MZ7-DGT/4MZ7-DGT_ligand.pdbqt | data/4M/4MZ7-DGT/4MZ7-DGT_target.pdbqt | data/4M/4MZ7-DGT/4MZ7-DGT_decoys.pdbqt | data/4M/4MZ7-DGT/4MZ7-DGT_decoy_scores.csv |
4MYD-164 | data/4M/4MYD-164/4MYD-164_ligand.pdbqt | data/4M/4MYD-164/4MYD-164_target.pdbqt | data/4M/4MYD-164/4MYD-164_decoys.pdbqt | data/4M/4MYD-164/4MYD-164_decoy_scores.csv |
4MU4-IYP | data/4M/4MU4-IYP/4MU4-IYP_ligand.pdbqt | data/4M/4MU4-IYP/4MU4-IYP_target.pdbqt | data/4M/4MU4-IYP/4MU4-IYP_decoys.pdbqt | data/4M/4MU4-IYP/4MU4-IYP_decoy_scores.csv |
4MZ4-2F3 | data/4M/4MZ4-2F3/4MZ4-2F3_ligand.pdbqt | data/4M/4MZ4-2F3/4MZ4-2F3_target.pdbqt | data/4M/4MZ4-2F3/4MZ4-2F3_decoys.pdbqt | data/4M/4MZ4-2F3/4MZ4-2F3_decoy_scores.csv |
4MK5-28A | data/4M/4MK5-28A/4MK5-28A_ligand.pdbqt | data/4M/4MK5-28A/4MK5-28A_target.pdbqt | data/4M/4MK5-28A/4MK5-28A_decoys.pdbqt | data/4M/4MK5-28A/4MK5-28A_decoy_scores.csv |
4MPE-PV8 | data/4M/4MPE-PV8/4MPE-PV8_ligand.pdbqt | data/4M/4MPE-PV8/4MPE-PV8_target.pdbqt | data/4M/4MPE-PV8/4MPE-PV8_decoys.pdbqt | data/4M/4MPE-PV8/4MPE-PV8_decoy_scores.csv |
4MZU-TYD | data/4M/4MZU-TYD/4MZU-TYD_ligand.pdbqt | data/4M/4MZU-TYD/4MZU-TYD_target.pdbqt | data/4M/4MZU-TYD/4MZU-TYD_decoys.pdbqt | data/4M/4MZU-TYD/4MZU-TYD_decoy_scores.csv |
4MHW-0YN | data/4M/4MHW-0YN/4MHW-0YN_ligand.pdbqt | data/4M/4MHW-0YN/4MHW-0YN_target.pdbqt | data/4M/4MHW-0YN/4MHW-0YN_decoys.pdbqt | data/4M/4MHW-0YN/4MHW-0YN_decoy_scores.csv |
4MNI-173 | data/4M/4MNI-173/4MNI-173_ligand.pdbqt | data/4M/4MNI-173/4MNI-173_target.pdbqt | data/4M/4MNI-173/4MNI-173_decoys.pdbqt | data/4M/4MNI-173/4MNI-173_decoy_scores.csv |
4M69-ANP | data/4M/4M69-ANP/4M69-ANP_ligand.pdbqt | data/4M/4M69-ANP/4M69-ANP_target.pdbqt | data/4M/4M69-ANP/4M69-ANP_decoys.pdbqt | data/4M/4M69-ANP/4M69-ANP_decoy_scores.csv |
4MTA-2D2 | data/4M/4MTA-2D2/4MTA-2D2_ligand.pdbqt | data/4M/4MTA-2D2/4MTA-2D2_target.pdbqt | data/4M/4MTA-2D2/4MTA-2D2_decoys.pdbqt | data/4M/4MTA-2D2/4MTA-2D2_decoy_scores.csv |
4M6V-BYT | data/4M/4M6V-BYT/4M6V-BYT_ligand.pdbqt | data/4M/4M6V-BYT/4M6V-BYT_target.pdbqt | data/4M/4M6V-BYT/4M6V-BYT_decoys.pdbqt | data/4M/4M6V-BYT/4M6V-BYT_decoy_scores.csv |
4M7I-27D | data/4M/4M7I-27D/4M7I-27D_ligand.pdbqt | data/4M/4M7I-27D/4M7I-27D_target.pdbqt | data/4M/4M7I-27D/4M7I-27D_decoys.pdbqt | data/4M/4M7I-27D/4M7I-27D_decoy_scores.csv |
4M6G-ZGL | data/4M/4M6G-ZGL/4M6G-ZGL_ligand.pdbqt | data/4M/4M6G-ZGL/4M6G-ZGL_target.pdbqt | data/4M/4M6G-ZGL/4M6G-ZGL_decoys.pdbqt | data/4M/4M6G-ZGL/4M6G-ZGL_decoy_scores.csv |
4M71-SAH | data/4M/4M71-SAH/4M71-SAH_ligand.pdbqt | data/4M/4M71-SAH/4M71-SAH_target.pdbqt | data/4M/4M71-SAH/4M71-SAH_decoys.pdbqt | data/4M/4M71-SAH/4M71-SAH_decoy_scores.csv |
4MIX-UD1 | data/4M/4MIX-UD1/4MIX-UD1_ligand.pdbqt | data/4M/4MIX-UD1/4MIX-UD1_target.pdbqt | data/4M/4MIX-UD1/4MIX-UD1_decoys.pdbqt | data/4M/4MIX-UD1/4MIX-UD1_decoy_scores.csv |
4MC3-28U | data/4M/4MC3-28U/4MC3-28U_ligand.pdbqt | data/4M/4MC3-28U/4MC3-28U_target.pdbqt | data/4M/4MC3-28U/4MC3-28U_decoys.pdbqt | data/4M/4MC3-28U/4MC3-28U_decoy_scores.csv |
4MRH-2CQ | data/4M/4MRH-2CQ/4MRH-2CQ_ligand.pdbqt | data/4M/4MRH-2CQ/4MRH-2CQ_target.pdbqt | data/4M/4MRH-2CQ/4MRH-2CQ_decoys.pdbqt | data/4M/4MRH-2CQ/4MRH-2CQ_decoy_scores.csv |
4MO8-2VQ | data/4M/4MO8-2VQ/4MO8-2VQ_ligand.pdbqt | data/4M/4MO8-2VQ/4MO8-2VQ_target.pdbqt | data/4M/4MO8-2VQ/4MO8-2VQ_decoys.pdbqt | data/4M/4MO8-2VQ/4MO8-2VQ_decoy_scores.csv |
4MAS-PCQ | data/4M/4MAS-PCQ/4MAS-PCQ_ligand.pdbqt | data/4M/4MAS-PCQ/4MAS-PCQ_target.pdbqt | data/4M/4MAS-PCQ/4MAS-PCQ_decoys.pdbqt | data/4M/4MAS-PCQ/4MAS-PCQ_decoy_scores.csv |
4MOE-G3F | data/4M/4MOE-G3F/4MOE-G3F_ligand.pdbqt | data/4M/4MOE-G3F/4MOE-G3F_target.pdbqt | data/4M/4MOE-G3F/4MOE-G3F_decoys.pdbqt | data/4M/4MOE-G3F/4MOE-G3F_decoy_scores.csv |
4M3D-2H2 | data/4M/4M3D-2H2/4M3D-2H2_ligand.pdbqt | data/4M/4M3D-2H2/4M3D-2H2_target.pdbqt | data/4M/4M3D-2H2/4M3D-2H2_decoys.pdbqt | data/4M/4M3D-2H2/4M3D-2H2_decoy_scores.csv |
4MI1-DSZ | data/4M/4MI1-DSZ/4MI1-DSZ_ligand.pdbqt | data/4M/4MI1-DSZ/4MI1-DSZ_target.pdbqt | data/4M/4MI1-DSZ/4MI1-DSZ_decoys.pdbqt | data/4M/4MI1-DSZ/4MI1-DSZ_decoy_scores.csv |
4M0K-AMP | data/4M/4M0K-AMP/4M0K-AMP_ligand.pdbqt | data/4M/4M0K-AMP/4M0K-AMP_target.pdbqt | data/4M/4M0K-AMP/4M0K-AMP_decoys.pdbqt | data/4M/4M0K-AMP/4M0K-AMP_decoy_scores.csv |
4MMC-29J | data/4M/4MMC-29J/4MMC-29J_ligand.pdbqt | data/4M/4MMC-29J/4MMC-29J_target.pdbqt | data/4M/4MMC-29J/4MMC-29J_decoys.pdbqt | data/4M/4MMC-29J/4MMC-29J_decoy_scores.csv |
4MUX-2E4 | data/4M/4MUX-2E4/4MUX-2E4_ligand.pdbqt | data/4M/4MUX-2E4/4MUX-2E4_target.pdbqt | data/4M/4MUX-2E4/4MUX-2E4_decoys.pdbqt | data/4M/4MUX-2E4/4MUX-2E4_decoy_scores.csv |
4MA7-P2Z | data/4M/4MA7-P2Z/4MA7-P2Z_ligand.pdbqt | data/4M/4MA7-P2Z/4MA7-P2Z_target.pdbqt | data/4M/4MA7-P2Z/4MA7-P2Z_decoys.pdbqt | data/4M/4MA7-P2Z/4MA7-P2Z_decoy_scores.csv |
4MIC-26Y | data/4M/4MIC-26Y/4MIC-26Y_ligand.pdbqt | data/4M/4MIC-26Y/4MIC-26Y_target.pdbqt | data/4M/4MIC-26Y/4MIC-26Y_decoys.pdbqt | data/4M/4MIC-26Y/4MIC-26Y_decoy_scores.csv |
4MHZ-PBD | data/4M/4MHZ-PBD/4MHZ-PBD_ligand.pdbqt | data/4M/4MHZ-PBD/4MHZ-PBD_target.pdbqt | data/4M/4MHZ-PBD/4MHZ-PBD_decoys.pdbqt | data/4M/4MHZ-PBD/4MHZ-PBD_decoy_scores.csv |
4MMP-SLB | data/4M/4MMP-SLB/4MMP-SLB_ligand.pdbqt | data/4M/4MMP-SLB/4MMP-SLB_target.pdbqt | data/4M/4MMP-SLB/4MMP-SLB_decoys.pdbqt | data/4M/4MMP-SLB/4MMP-SLB_decoy_scores.csv |
4M72-M72 | data/4M/4M72-M72/4M72-M72_ligand.pdbqt | data/4M/4M72-M72/4M72-M72_target.pdbqt | data/4M/4M72-M72/4M72-M72_decoys.pdbqt | data/4M/4M72-M72/4M72-M72_decoy_scores.csv |
4MV3-ACP | data/4M/4MV3-ACP/4MV3-ACP_ligand.pdbqt | data/4M/4MV3-ACP/4MV3-ACP_target.pdbqt | data/4M/4MV3-ACP/4MV3-ACP_decoys.pdbqt | data/4M/4MV3-ACP/4MV3-ACP_decoy_scores.csv |
4MA5-ANP | data/4M/4MA5-ANP/4MA5-ANP_ligand.pdbqt | data/4M/4MA5-ANP/4MA5-ANP_target.pdbqt | data/4M/4MA5-ANP/4MA5-ANP_decoys.pdbqt | data/4M/4MA5-ANP/4MA5-ANP_decoy_scores.csv |
4MTW-2G7 | data/4M/4MTW-2G7/4MTW-2G7_ligand.pdbqt | data/4M/4MTW-2G7/4MTW-2G7_target.pdbqt | data/4M/4MTW-2G7/4MTW-2G7_decoys.pdbqt | data/4M/4MTW-2G7/4MTW-2G7_decoy_scores.csv |
4MRA-QUE | data/4M/4MRA-QUE/4MRA-QUE_ligand.pdbqt | data/4M/4MRA-QUE/4MRA-QUE_target.pdbqt | data/4M/4MRA-QUE/4MRA-QUE_decoys.pdbqt | data/4M/4MRA-QUE/4MRA-QUE_decoy_scores.csv |
4M1W-21R | data/4M/4M1W-21R/4M1W-21R_ligand.pdbqt | data/4M/4M1W-21R/4M1W-21R_target.pdbqt | data/4M/4M1W-21R/4M1W-21R_decoys.pdbqt | data/4M/4M1W-21R/4M1W-21R_decoy_scores.csv |
4MAE-PQQ | data/4M/4MAE-PQQ/4MAE-PQQ_ligand.pdbqt | data/4M/4MAE-PQQ/4MAE-PQQ_target.pdbqt | null | null |
4MUL-2DW | data/4M/4MUL-2DW/4MUL-2DW_ligand.pdbqt | data/4M/4MUL-2DW/4MUL-2DW_target.pdbqt | data/4M/4MUL-2DW/4MUL-2DW_decoys.pdbqt | data/4M/4MUL-2DW/4MUL-2DW_decoy_scores.csv |
4MZX-TZD | data/4M/4MZX-TZD/4MZX-TZD_ligand.pdbqt | data/4M/4MZX-TZD/4MZX-TZD_target.pdbqt | data/4M/4MZX-TZD/4MZX-TZD_decoys.pdbqt | data/4M/4MZX-TZD/4MZX-TZD_decoy_scores.csv |
4MRY-CEI | data/4M/4MRY-CEI/4MRY-CEI_ligand.pdbqt | data/4M/4MRY-CEI/4MRY-CEI_target.pdbqt | data/4M/4MRY-CEI/4MRY-CEI_decoys.pdbqt | data/4M/4MRY-CEI/4MRY-CEI_decoy_scores.csv |
4MGA-27L | data/4M/4MGA-27L/4MGA-27L_ligand.pdbqt | data/4M/4MGA-27L/4MGA-27L_target.pdbqt | data/4M/4MGA-27L/4MGA-27L_decoys.pdbqt | data/4M/4MGA-27L/4MGA-27L_decoy_scores.csv |
4MML-U | data/4M/4MML-U/4MML-U_ligand.pdbqt | data/4M/4MML-U/4MML-U_target.pdbqt | data/4M/4MML-U/4MML-U_decoys.pdbqt | data/4M/4MML-U/4MML-U_decoy_scores.csv |
4M37-SAH | data/4M/4M37-SAH/4M37-SAH_ligand.pdbqt | data/4M/4M37-SAH/4M37-SAH_target.pdbqt | data/4M/4M37-SAH/4M37-SAH_decoys.pdbqt | data/4M/4M37-SAH/4M37-SAH_decoy_scores.csv |
4MD2-RET | data/4M/4MD2-RET/4MD2-RET_ligand.pdbqt | data/4M/4MD2-RET/4MD2-RET_target.pdbqt | data/4M/4MD2-RET/4MD2-RET_decoys.pdbqt | data/4M/4MD2-RET/4MD2-RET_decoy_scores.csv |
4M1O-21J | data/4M/4M1O-21J/4M1O-21J_ligand.pdbqt | data/4M/4M1O-21J/4M1O-21J_target.pdbqt | data/4M/4M1O-21J/4M1O-21J_decoys.pdbqt | data/4M/4M1O-21J/4M1O-21J_decoy_scores.csv |
4MUU-P6G | data/4M/4MUU-P6G/4MUU-P6G_ligand.pdbqt | data/4M/4MUU-P6G/4MUU-P6G_target.pdbqt | data/4M/4MUU-P6G/4MUU-P6G_decoys.pdbqt | data/4M/4MUU-P6G/4MUU-P6G_decoy_scores.csv |
4MKA-2AY | data/4M/4MKA-2AY/4MKA-2AY_ligand.pdbqt | data/4M/4MKA-2AY/4MKA-2AY_target.pdbqt | data/4M/4MKA-2AY/4MKA-2AY_decoys.pdbqt | data/4M/4MKA-2AY/4MKA-2AY_decoy_scores.csv |
4M2A-UPG | data/4M/4M2A-UPG/4M2A-UPG_ligand.pdbqt | data/4M/4M2A-UPG/4M2A-UPG_target.pdbqt | data/4M/4M2A-UPG/4M2A-UPG_decoys.pdbqt | data/4M/4M2A-UPG/4M2A-UPG_decoy_scores.csv |
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