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 ⌀ |
|---|---|---|---|---|
4V1L-P6G | data/4V/4V1L-P6G/4V1L-P6G_ligand.pdbqt | data/4V/4V1L-P6G/4V1L-P6G_target.pdbqt | data/4V/4V1L-P6G/4V1L-P6G_decoys.pdbqt | data/4V/4V1L-P6G/4V1L-P6G_decoy_scores.csv |
4V0Q-SAH | data/4V/4V0Q-SAH/4V0Q-SAH_ligand.pdbqt | data/4V/4V0Q-SAH/4V0Q-SAH_target.pdbqt | data/4V/4V0Q-SAH/4V0Q-SAH_decoys.pdbqt | data/4V/4V0Q-SAH/4V0Q-SAH_decoy_scores.csv |
8EGI-VZN | data/8E/8EGI-VZN/8EGI-VZN_ligand.pdbqt | data/8E/8EGI-VZN/8EGI-VZN_target.pdbqt | data/8E/8EGI-VZN/8EGI-VZN_decoys.pdbqt | data/8E/8EGI-VZN/8EGI-VZN_decoy_scores.csv |
8E4S-QQ4 | data/8E/8E4S-QQ4/8E4S-QQ4_ligand.pdbqt | data/8E/8E4S-QQ4/8E4S-QQ4_target.pdbqt | data/8E/8E4S-QQ4/8E4S-QQ4_decoys.pdbqt | data/8E/8E4S-QQ4/8E4S-QQ4_decoy_scores.csv |
8EIW-NAI | data/8E/8EIW-NAI/8EIW-NAI_ligand.pdbqt | data/8E/8EIW-NAI/8EIW-NAI_target.pdbqt | data/8E/8EIW-NAI/8EIW-NAI_decoys.pdbqt | data/8E/8EIW-NAI/8EIW-NAI_decoy_scores.csv |
8E65-WF5 | data/8E/8E65-WF5/8E65-WF5_ligand.pdbqt | data/8E/8E65-WF5/8E65-WF5_target.pdbqt | data/8E/8E65-WF5/8E65-WF5_decoys.pdbqt | data/8E/8E65-WF5/8E65-WF5_decoy_scores.csv |
8E3N-VA0 | data/8E/8E3N-VA0/8E3N-VA0_ligand.pdbqt | data/8E/8E3N-VA0/8E3N-VA0_target.pdbqt | data/8E/8E3N-VA0/8E3N-VA0_decoys.pdbqt | data/8E/8E3N-VA0/8E3N-VA0_decoy_scores.csv |
8EQQ-FLC | data/8E/8EQQ-FLC/8EQQ-FLC_ligand.pdbqt | data/8E/8EQQ-FLC/8EQQ-FLC_target.pdbqt | data/8E/8EQQ-FLC/8EQQ-FLC_decoys.pdbqt | data/8E/8EQQ-FLC/8EQQ-FLC_decoy_scores.csv |
8EGD-WIH | data/8E/8EGD-WIH/8EGD-WIH_ligand.pdbqt | data/8E/8EGD-WIH/8EGD-WIH_target.pdbqt | data/8E/8EGD-WIH/8EGD-WIH_decoys.pdbqt | data/8E/8EGD-WIH/8EGD-WIH_decoy_scores.csv |
8EV1-WVW | data/8E/8EV1-WVW/8EV1-WVW_ligand.pdbqt | data/8E/8EV1-WVW/8EV1-WVW_target.pdbqt | data/8E/8EV1-WVW/8EV1-WVW_decoys.pdbqt | data/8E/8EV1-WVW/8EV1-WVW_decoy_scores.csv |
8E64-WEQ | data/8E/8E64-WEQ/8E64-WEQ_ligand.pdbqt | data/8E/8E64-WEQ/8E64-WEQ_target.pdbqt | data/8E/8E64-WEQ/8E64-WEQ_decoys.pdbqt | data/8E/8E64-WEQ/8E64-WEQ_decoy_scores.csv |
8E26-4WI | data/8E/8E26-4WI/8E26-4WI_ligand.pdbqt | data/8E/8E26-4WI/8E26-4WI_target.pdbqt | data/8E/8E26-4WI/8E26-4WI_decoys.pdbqt | data/8E/8E26-4WI/8E26-4WI_decoy_scores.csv |
8E1L-HC4 | data/8E/8E1L-HC4/8E1L-HC4_ligand.pdbqt | data/8E/8E1L-HC4/8E1L-HC4_target.pdbqt | data/8E/8E1L-HC4/8E1L-HC4_decoys.pdbqt | data/8E/8E1L-HC4/8E1L-HC4_decoy_scores.csv |
8EX2-Q2Q | data/8E/8EX2-Q2Q/8EX2-Q2Q_ligand.pdbqt | data/8E/8EX2-Q2Q/8EX2-Q2Q_target.pdbqt | data/8E/8EX2-Q2Q/8EX2-Q2Q_decoys.pdbqt | data/8E/8EX2-Q2Q/8EX2-Q2Q_decoy_scores.csv |
8ENI-WNE | data/8E/8ENI-WNE/8ENI-WNE_ligand.pdbqt | data/8E/8ENI-WNE/8ENI-WNE_target.pdbqt | data/8E/8ENI-WNE/8ENI-WNE_decoys.pdbqt | data/8E/8ENI-WNE/8ENI-WNE_decoy_scores.csv |
8EV2-WVE | data/8E/8EV2-WVE/8EV2-WVE_ligand.pdbqt | data/8E/8EV2-WVE/8EV2-WVE_target.pdbqt | data/8E/8EV2-WVE/8EV2-WVE_decoys.pdbqt | data/8E/8EV2-WVE/8EV2-WVE_decoy_scores.csv |
8E25-4WI | data/8E/8E25-4WI/8E25-4WI_ligand.pdbqt | data/8E/8E25-4WI/8E25-4WI_target.pdbqt | data/8E/8E25-4WI/8E25-4WI_decoys.pdbqt | data/8E/8E25-4WI/8E25-4WI_decoy_scores.csv |
8EYD-X4O | data/8E/8EYD-X4O/8EYD-X4O_ligand.pdbqt | data/8E/8EYD-X4O/8EYD-X4O_target.pdbqt | data/8E/8EYD-X4O/8EYD-X4O_decoys.pdbqt | data/8E/8EYD-X4O/8EYD-X4O_decoy_scores.csv |
8EGQ-ADP | data/8E/8EGQ-ADP/8EGQ-ADP_ligand.pdbqt | data/8E/8EGQ-ADP/8EGQ-ADP_target.pdbqt | data/8E/8EGQ-ADP/8EGQ-ADP_decoys.pdbqt | data/8E/8EGQ-ADP/8EGQ-ADP_decoy_scores.csv |
8E80-UUF | data/8E/8E80-UUF/8E80-UUF_ligand.pdbqt | data/8E/8E80-UUF/8E80-UUF_target.pdbqt | data/8E/8E80-UUF/8E80-UUF_decoys.pdbqt | data/8E/8E80-UUF/8E80-UUF_decoy_scores.csv |
8E1S-ANP | data/8E/8E1S-ANP/8E1S-ANP_ligand.pdbqt | data/8E/8E1S-ANP/8E1S-ANP_target.pdbqt | data/8E/8E1S-ANP/8E1S-ANP_decoys.pdbqt | data/8E/8E1S-ANP/8E1S-ANP_decoy_scores.csv |
8E0A-GDP | data/8E/8E0A-GDP/8E0A-GDP_ligand.pdbqt | data/8E/8E0A-GDP/8E0A-GDP_target.pdbqt | data/8E/8E0A-GDP/8E0A-GDP_decoys.pdbqt | data/8E/8E0A-GDP/8E0A-GDP_decoy_scores.csv |
8EX0-AQG | data/8E/8EX0-AQG/8EX0-AQG_ligand.pdbqt | data/8E/8EX0-AQG/8EX0-AQG_target.pdbqt | data/8E/8EX0-AQG/8EX0-AQG_decoys.pdbqt | data/8E/8EX0-AQG/8EX0-AQG_decoy_scores.csv |
8E6A-WIX | data/8E/8E6A-WIX/8E6A-WIX_ligand.pdbqt | data/8E/8E6A-WIX/8E6A-WIX_target.pdbqt | data/8E/8E6A-WIX/8E6A-WIX_decoys.pdbqt | data/8E/8E6A-WIX/8E6A-WIX_decoy_scores.csv |
8E1Q-QQ4 | data/8E/8E1Q-QQ4/8E1Q-QQ4_ligand.pdbqt | data/8E/8E1Q-QQ4/8E1Q-QQ4_target.pdbqt | data/8E/8E1Q-QQ4/8E1Q-QQ4_decoys.pdbqt | data/8E/8E1Q-QQ4/8E1Q-QQ4_decoy_scores.csv |
8EWU-GDP | data/8E/8EWU-GDP/8EWU-GDP_ligand.pdbqt | data/8E/8EWU-GDP/8EWU-GDP_target.pdbqt | data/8E/8EWU-GDP/8EWU-GDP_decoys.pdbqt | data/8E/8EWU-GDP/8EWU-GDP_decoy_scores.csv |
8E6E-UUR | data/8E/8E6E-UUR/8E6E-UUR_ligand.pdbqt | data/8E/8E6E-UUR/8E6E-UUR_target.pdbqt | data/8E/8E6E-UUR/8E6E-UUR_decoys.pdbqt | data/8E/8E6E-UUR/8E6E-UUR_decoy_scores.csv |
8ECE-GLU | data/8E/8ECE-GLU/8ECE-GLU_ligand.pdbqt | data/8E/8ECE-GLU/8ECE-GLU_target.pdbqt | data/8E/8ECE-GLU/8ECE-GLU_decoys.pdbqt | data/8E/8ECE-GLU/8ECE-GLU_decoy_scores.csv |
8EFG-3D1 | data/8E/8EFG-3D1/8EFG-3D1_ligand.pdbqt | data/8E/8EFG-3D1/8EFG-3D1_target.pdbqt | data/8E/8EFG-3D1/8EFG-3D1_decoys.pdbqt | data/8E/8EFG-3D1/8EFG-3D1_decoy_scores.csv |
8E5X-UO9 | data/8E/8E5X-UO9/8E5X-UO9_ligand.pdbqt | data/8E/8E5X-UO9/8E5X-UO9_target.pdbqt | data/8E/8E5X-UO9/8E5X-UO9_decoys.pdbqt | data/8E/8E5X-UO9/8E5X-UO9_decoy_scores.csv |
8E0D-G4P | data/8E/8E0D-G4P/8E0D-G4P_ligand.pdbqt | data/8E/8E0D-G4P/8E0D-G4P_target.pdbqt | data/8E/8E0D-G4P/8E0D-G4P_decoys.pdbqt | data/8E/8E0D-G4P/8E0D-G4P_decoy_scores.csv |
8EGQ-WJK | data/8E/8EGQ-WJK/8EGQ-WJK_ligand.pdbqt | data/8E/8EGQ-WJK/8EGQ-WJK_target.pdbqt | data/8E/8EGQ-WJK/8EGQ-WJK_decoys.pdbqt | data/8E/8EGQ-WJK/8EGQ-WJK_decoy_scores.csv |
8EA1-NPO | data/8E/8EA1-NPO/8EA1-NPO_ligand.pdbqt | data/8E/8EA1-NPO/8EA1-NPO_target.pdbqt | data/8E/8EA1-NPO/8EA1-NPO_decoys.pdbqt | data/8E/8EA1-NPO/8EA1-NPO_decoy_scores.csv |
8EXO-X3W | data/8E/8EXO-X3W/8EXO-X3W_ligand.pdbqt | data/8E/8EXO-X3W/8EXO-X3W_target.pdbqt | data/8E/8EXO-X3W/8EXO-X3W_decoys.pdbqt | data/8E/8EXO-X3W/8EXO-X3W_decoy_scores.csv |
8E1S-IHP | data/8E/8E1S-IHP/8E1S-IHP_ligand.pdbqt | data/8E/8E1S-IHP/8E1S-IHP_target.pdbqt | data/8E/8E1S-IHP/8E1S-IHP_decoys.pdbqt | data/8E/8E1S-IHP/8E1S-IHP_decoy_scores.csv |
8E0X-PEP | data/8E/8E0X-PEP/8E0X-PEP_ligand.pdbqt | data/8E/8E0X-PEP/8E0X-PEP_target.pdbqt | data/8E/8E0X-PEP/8E0X-PEP_decoys.pdbqt | data/8E/8E0X-PEP/8E0X-PEP_decoy_scores.csv |
8EGL-ADP | data/8E/8EGL-ADP/8EGL-ADP_ligand.pdbqt | data/8E/8EGL-ADP/8EGL-ADP_target.pdbqt | data/8E/8EGL-ADP/8EGL-ADP_decoys.pdbqt | data/8E/8EGL-ADP/8EGL-ADP_decoy_scores.csv |
8EIP-7ID | data/8E/8EIP-7ID/8EIP-7ID_ligand.pdbqt | data/8E/8EIP-7ID/8EIP-7ID_target.pdbqt | data/8E/8EIP-7ID/8EIP-7ID_decoys.pdbqt | data/8E/8EIP-7ID/8EIP-7ID_decoy_scores.csv |
8E0Y-FLC | data/8E/8E0Y-FLC/8E0Y-FLC_ligand.pdbqt | data/8E/8E0Y-FLC/8E0Y-FLC_target.pdbqt | null | null |
8ECG-PV9 | data/8E/8ECG-PV9/8ECG-PV9_ligand.pdbqt | data/8E/8ECG-PV9/8ECG-PV9_target.pdbqt | data/8E/8ECG-PV9/8ECG-PV9_decoys.pdbqt | data/8E/8ECG-PV9/8ECG-PV9_decoy_scores.csv |
8E64-WEL | data/8E/8E64-WEL/8E64-WEL_ligand.pdbqt | data/8E/8E64-WEL/8E64-WEL_target.pdbqt | data/8E/8E64-WEL/8E64-WEL_decoys.pdbqt | data/8E/8E64-WEL/8E64-WEL_decoy_scores.csv |
8E1A-3E0 | data/8E/8E1A-3E0/8E1A-3E0_ligand.pdbqt | data/8E/8E1A-3E0/8E1A-3E0_target.pdbqt | data/8E/8E1A-3E0/8E1A-3E0_decoys.pdbqt | data/8E/8E1A-3E0/8E1A-3E0_decoy_scores.csv |
8E19-U8L | data/8E/8E19-U8L/8E19-U8L_ligand.pdbqt | data/8E/8E19-U8L/8E19-U8L_target.pdbqt | data/8E/8E19-U8L/8E19-U8L_decoys.pdbqt | data/8E/8E19-U8L/8E19-U8L_decoy_scores.csv |
8EYE-X4I | data/8E/8EYE-X4I/8EYE-X4I_ligand.pdbqt | data/8E/8EYE-X4I/8EYE-X4I_target.pdbqt | data/8E/8EYE-X4I/8EYE-X4I_decoys.pdbqt | data/8E/8EYE-X4I/8EYE-X4I_decoy_scores.csv |
8E5Z-WJB | data/8E/8E5Z-WJB/8E5Z-WJB_ligand.pdbqt | data/8E/8E5Z-WJB/8E5Z-WJB_target.pdbqt | data/8E/8E5Z-WJB/8E5Z-WJB_decoys.pdbqt | data/8E/8E5Z-WJB/8E5Z-WJB_decoy_scores.csv |
8EGM-WIU | data/8E/8EGM-WIU/8EGM-WIU_ligand.pdbqt | data/8E/8EGM-WIU/8EGM-WIU_target.pdbqt | data/8E/8EGM-WIU/8EGM-WIU_decoys.pdbqt | data/8E/8EGM-WIU/8EGM-WIU_decoy_scores.csv |
8EXC-X2U | data/8E/8EXC-X2U/8EXC-X2U_ligand.pdbqt | data/8E/8EXC-X2U/8EXC-X2U_target.pdbqt | data/8E/8EXC-X2U/8EXC-X2U_decoys.pdbqt | data/8E/8EXC-X2U/8EXC-X2U_decoy_scores.csv |
8E4S-U9U | data/8E/8E4S-U9U/8E4S-U9U_ligand.pdbqt | data/8E/8E4S-U9U/8E4S-U9U_target.pdbqt | data/8E/8E4S-U9U/8E4S-U9U_decoys.pdbqt | data/8E/8E4S-U9U/8E4S-U9U_decoy_scores.csv |
8E5M-UKR | data/8E/8E5M-UKR/8E5M-UKR_ligand.pdbqt | data/8E/8E5M-UKR/8E5M-UKR_target.pdbqt | data/8E/8E5M-UKR/8E5M-UKR_decoys.pdbqt | data/8E/8E5M-UKR/8E5M-UKR_decoy_scores.csv |
8EEP-IHP | data/8E/8EEP-IHP/8EEP-IHP_ligand.pdbqt | data/8E/8EEP-IHP/8EEP-IHP_target.pdbqt | data/8E/8EEP-IHP/8EEP-IHP_decoys.pdbqt | data/8E/8EEP-IHP/8EEP-IHP_decoy_scores.csv |
8EZH-ENJ | data/8E/8EZH-ENJ/8EZH-ENJ_ligand.pdbqt | data/8E/8EZH-ENJ/8EZH-ENJ_target.pdbqt | data/8E/8EZH-ENJ/8EZH-ENJ_decoys.pdbqt | data/8E/8EZH-ENJ/8EZH-ENJ_decoy_scores.csv |
8EZ5-STE | data/8E/8EZ5-STE/8EZ5-STE_ligand.pdbqt | data/8E/8EZ5-STE/8EZ5-STE_target.pdbqt | data/8E/8EZ5-STE/8EZ5-STE_decoys.pdbqt | data/8E/8EZ5-STE/8EZ5-STE_decoy_scores.csv |
8EJB-WKC | data/8E/8EJB-WKC/8EJB-WKC_ligand.pdbqt | data/8E/8EJB-WKC/8EJB-WKC_target.pdbqt | null | null |
8E9F-UY9 | data/8E/8E9F-UY9/8E9F-UY9_ligand.pdbqt | data/8E/8E9F-UY9/8E9F-UY9_target.pdbqt | data/8E/8E9F-UY9/8E9F-UY9_decoys.pdbqt | data/8E/8E9F-UY9/8E9F-UY9_decoy_scores.csv |
8E0T-52L | data/8E/8E0T-52L/8E0T-52L_ligand.pdbqt | data/8E/8E0T-52L/8E0T-52L_target.pdbqt | data/8E/8E0T-52L/8E0T-52L_decoys.pdbqt | data/8E/8E0T-52L/8E0T-52L_decoy_scores.csv |
8EST-GIS | data/8E/8EST-GIS/8EST-GIS_ligand.pdbqt | data/8E/8EST-GIS/8EST-GIS_target.pdbqt | data/8E/8EST-GIS/8EST-GIS_decoys.pdbqt | data/8E/8EST-GIS/8EST-GIS_decoy_scores.csv |
8E02-HC4 | data/8E/8E02-HC4/8E02-HC4_ligand.pdbqt | data/8E/8E02-HC4/8E02-HC4_target.pdbqt | data/8E/8E02-HC4/8E02-HC4_decoys.pdbqt | data/8E/8E02-HC4/8E02-HC4_decoy_scores.csv |
8EVK-PE0 | data/8E/8EVK-PE0/8EVK-PE0_ligand.pdbqt | data/8E/8EVK-PE0/8EVK-PE0_target.pdbqt | data/8E/8EVK-PE0/8EVK-PE0_decoys.pdbqt | data/8E/8EVK-PE0/8EVK-PE0_decoy_scores.csv |
8EBC-IMP | data/8E/8EBC-IMP/8EBC-IMP_ligand.pdbqt | data/8E/8EBC-IMP/8EBC-IMP_target.pdbqt | data/8E/8EBC-IMP/8EBC-IMP_decoys.pdbqt | data/8E/8EBC-IMP/8EBC-IMP_decoy_scores.csv |
8ENL-1N7 | data/8E/8ENL-1N7/8ENL-1N7_ligand.pdbqt | data/8E/8ENL-1N7/8ENL-1N7_target.pdbqt | null | null |
8EIX-NAI | data/8E/8EIX-NAI/8EIX-NAI_ligand.pdbqt | data/8E/8EIX-NAI/8EIX-NAI_target.pdbqt | data/8E/8EIX-NAI/8EIX-NAI_decoys.pdbqt | data/8E/8EIX-NAI/8EIX-NAI_decoy_scores.csv |
8EZI-4EY | data/8E/8EZI-4EY/8EZI-4EY_ligand.pdbqt | data/8E/8EZI-4EY/8EZI-4EY_target.pdbqt | data/8E/8EZI-4EY/8EZI-4EY_decoys.pdbqt | data/8E/8EZI-4EY/8EZI-4EY_decoy_scores.csv |
8EEF-OTR | data/8E/8EEF-OTR/8EEF-OTR_ligand.pdbqt | data/8E/8EEF-OTR/8EEF-OTR_target.pdbqt | data/8E/8EEF-OTR/8EEF-OTR_decoys.pdbqt | data/8E/8EEF-OTR/8EEF-OTR_decoy_scores.csv |
8EQP-FLC | data/8E/8EQP-FLC/8EQP-FLC_ligand.pdbqt | data/8E/8EQP-FLC/8EQP-FLC_target.pdbqt | data/8E/8EQP-FLC/8EQP-FLC_decoys.pdbqt | data/8E/8EQP-FLC/8EQP-FLC_decoy_scores.csv |
8E09-HC4 | data/8E/8E09-HC4/8E09-HC4_ligand.pdbqt | data/8E/8E09-HC4/8E09-HC4_target.pdbqt | data/8E/8E09-HC4/8E09-HC4_decoys.pdbqt | data/8E/8E09-HC4/8E09-HC4_decoy_scores.csv |
8EEG-LDP | data/8E/8EEG-LDP/8EEG-LDP_ligand.pdbqt | data/8E/8EEG-LDP/8EEG-LDP_target.pdbqt | data/8E/8EEG-LDP/8EEG-LDP_decoys.pdbqt | data/8E/8EEG-LDP/8EEG-LDP_decoy_scores.csv |
8EZ5-BCR | data/8E/8EZ5-BCR/8EZ5-BCR_ligand.pdbqt | data/8E/8EZ5-BCR/8EZ5-BCR_target.pdbqt | data/8E/8EZ5-BCR/8EZ5-BCR_decoys.pdbqt | data/8E/8EZ5-BCR/8EZ5-BCR_decoy_scores.csv |
8E1H-ADP | data/8E/8E1H-ADP/8E1H-ADP_ligand.pdbqt | data/8E/8E1H-ADP/8E1H-ADP_target.pdbqt | data/8E/8E1H-ADP/8E1H-ADP_decoys.pdbqt | data/8E/8E1H-ADP/8E1H-ADP_decoy_scores.csv |
8EGL-5GP | data/8E/8EGL-5GP/8EGL-5GP_ligand.pdbqt | data/8E/8EGL-5GP/8EGL-5GP_target.pdbqt | data/8E/8EGL-5GP/8EGL-5GP_decoys.pdbqt | data/8E/8EGL-5GP/8EGL-5GP_decoy_scores.csv |
8EP6-NXL | data/8E/8EP6-NXL/8EP6-NXL_ligand.pdbqt | data/8E/8EP6-NXL/8EP6-NXL_target.pdbqt | data/8E/8EP6-NXL/8EP6-NXL_decoys.pdbqt | data/8E/8EP6-NXL/8EP6-NXL_decoy_scores.csv |
8E0S-52L | data/8E/8E0S-52L/8E0S-52L_ligand.pdbqt | data/8E/8E0S-52L/8E0S-52L_target.pdbqt | data/8E/8E0S-52L/8E0S-52L_decoys.pdbqt | data/8E/8E0S-52L/8E0S-52L_decoy_scores.csv |
8EGU-ADP | data/8E/8EGU-ADP/8EGU-ADP_ligand.pdbqt | data/8E/8EGU-ADP/8EGU-ADP_target.pdbqt | data/8E/8EGU-ADP/8EGU-ADP_decoys.pdbqt | data/8E/8EGU-ADP/8EGU-ADP_decoy_scores.csv |
8EYJ-4WI | data/8E/8EYJ-4WI/8EYJ-4WI_ligand.pdbqt | data/8E/8EYJ-4WI/8EYJ-4WI_target.pdbqt | data/8E/8EYJ-4WI/8EYJ-4WI_decoys.pdbqt | data/8E/8EYJ-4WI/8EYJ-4WI_decoy_scores.csv |
8EZ1-X8B | data/8E/8EZ1-X8B/8EZ1-X8B_ligand.pdbqt | data/8E/8EZ1-X8B/8EZ1-X8B_target.pdbqt | data/8E/8EZ1-X8B/8EZ1-X8B_decoys.pdbqt | data/8E/8EZ1-X8B/8EZ1-X8B_decoy_scores.csv |
8EJM-ADP | data/8E/8EJM-ADP/8EJM-ADP_ligand.pdbqt | data/8E/8EJM-ADP/8EJM-ADP_target.pdbqt | data/8E/8EJM-ADP/8EJM-ADP_decoys.pdbqt | data/8E/8EJM-ADP/8EJM-ADP_decoy_scores.csv |
8E9F-BEN | data/8E/8E9F-BEN/8E9F-BEN_ligand.pdbqt | data/8E/8E9F-BEN/8E9F-BEN_target.pdbqt | data/8E/8E9F-BEN/8E9F-BEN_decoys.pdbqt | data/8E/8E9F-BEN/8E9F-BEN_decoy_scores.csv |
8EEH-TSS | data/8E/8EEH-TSS/8EEH-TSS_ligand.pdbqt | data/8E/8EEH-TSS/8EEH-TSS_target.pdbqt | data/8E/8EEH-TSS/8EEH-TSS_decoys.pdbqt | data/8E/8EEH-TSS/8EEH-TSS_decoy_scores.csv |
8EXV-X3N | data/8E/8EXV-X3N/8EXV-X3N_ligand.pdbqt | data/8E/8EXV-X3N/8EXV-X3N_target.pdbqt | data/8E/8EXV-X3N/8EXV-X3N_decoys.pdbqt | data/8E/8EXV-X3N/8EXV-X3N_decoy_scores.csv |
8E63-UV2 | data/8E/8E63-UV2/8E63-UV2_ligand.pdbqt | data/8E/8E63-UV2/8E63-UV2_target.pdbqt | data/8E/8E63-UV2/8E63-UV2_decoys.pdbqt | data/8E/8E63-UV2/8E63-UV2_decoy_scores.csv |
8E68-WGO | data/8E/8E68-WGO/8E68-WGO_ligand.pdbqt | data/8E/8E68-WGO/8E68-WGO_target.pdbqt | data/8E/8E68-WGO/8E68-WGO_decoys.pdbqt | data/8E/8E68-WGO/8E68-WGO_decoy_scores.csv |
8EWA-WYI | data/8E/8EWA-WYI/8EWA-WYI_ligand.pdbqt | data/8E/8EWA-WYI/8EWA-WYI_target.pdbqt | data/8E/8EWA-WYI/8EWA-WYI_decoys.pdbqt | data/8E/8EWA-WYI/8EWA-WYI_decoy_scores.csv |
8E0S-GLC | data/8E/8E0S-GLC/8E0S-GLC_ligand.pdbqt | data/8E/8E0S-GLC/8E0S-GLC_target.pdbqt | data/8E/8E0S-GLC/8E0S-GLC_decoys.pdbqt | data/8E/8E0S-GLC/8E0S-GLC_decoy_scores.csv |
8EEJ-LDP | data/8E/8EEJ-LDP/8EEJ-LDP_ligand.pdbqt | data/8E/8EEJ-LDP/8EEJ-LDP_target.pdbqt | data/8E/8EEJ-LDP/8EEJ-LDP_decoys.pdbqt | data/8E/8EEJ-LDP/8EEJ-LDP_decoy_scores.csv |
8E3T-HCA | data/8E/8E3T-HCA/8E3T-HCA_ligand.pdbqt | data/8E/8E3T-HCA/8E3T-HCA_target.pdbqt | null | null |
8E1V-ANP | data/8E/8E1V-ANP/8E1V-ANP_ligand.pdbqt | data/8E/8E1V-ANP/8E1V-ANP_target.pdbqt | data/8E/8E1V-ANP/8E1V-ANP_decoys.pdbqt | data/8E/8E1V-ANP/8E1V-ANP_decoy_scores.csv |
8EEK-AEF | data/8E/8EEK-AEF/8EEK-AEF_ligand.pdbqt | data/8E/8EEK-AEF/8EEK-AEF_target.pdbqt | data/8E/8EEK-AEF/8EEK-AEF_decoys.pdbqt | data/8E/8EEK-AEF/8EEK-AEF_decoy_scores.csv |
8E03-HC4 | data/8E/8E03-HC4/8E03-HC4_ligand.pdbqt | data/8E/8E03-HC4/8E03-HC4_target.pdbqt | data/8E/8E03-HC4/8E03-HC4_decoys.pdbqt | data/8E/8E03-HC4/8E03-HC4_decoy_scores.csv |
8EGF-ADP | data/8E/8EGF-ADP/8EGF-ADP_ligand.pdbqt | data/8E/8EGF-ADP/8EGF-ADP_target.pdbqt | data/8E/8EGF-ADP/8EGF-ADP_decoys.pdbqt | data/8E/8EGF-ADP/8EGF-ADP_decoy_scores.csv |
8EC4-TSL | data/8E/8EC4-TSL/8EC4-TSL_ligand.pdbqt | data/8E/8EC4-TSL/8EC4-TSL_target.pdbqt | data/8E/8EC4-TSL/8EC4-TSL_decoys.pdbqt | data/8E/8EC4-TSL/8EC4-TSL_decoy_scores.csv |
8EGN-WIR | data/8E/8EGN-WIR/8EGN-WIR_ligand.pdbqt | data/8E/8EGN-WIR/8EGN-WIR_target.pdbqt | data/8E/8EGN-WIR/8EGN-WIR_decoys.pdbqt | data/8E/8EGN-WIR/8EGN-WIR_decoy_scores.csv |
8EFG-ADE | data/8E/8EFG-ADE/8EFG-ADE_ligand.pdbqt | data/8E/8EFG-ADE/8EFG-ADE_target.pdbqt | data/8E/8EFG-ADE/8EFG-ADE_decoys.pdbqt | data/8E/8EFG-ADE/8EFG-ADE_decoy_scores.csv |
8E1Q-U0I | data/8E/8E1Q-U0I/8E1Q-U0I_ligand.pdbqt | data/8E/8E1Q-U0I/8E1Q-U0I_target.pdbqt | data/8E/8E1Q-U0I/8E1Q-U0I_decoys.pdbqt | data/8E/8E1Q-U0I/8E1Q-U0I_decoy_scores.csv |
8EEM-E5E | data/8E/8EEM-E5E/8EEM-E5E_ligand.pdbqt | data/8E/8EEM-E5E/8EEM-E5E_target.pdbqt | data/8E/8EEM-E5E/8EEM-E5E_decoys.pdbqt | data/8E/8EEM-E5E/8EEM-E5E_decoy_scores.csv |
8E69-WIO | data/8E/8E69-WIO/8E69-WIO_ligand.pdbqt | data/8E/8E69-WIO/8E69-WIO_target.pdbqt | data/8E/8E69-WIO/8E69-WIO_decoys.pdbqt | data/8E/8E69-WIO/8E69-WIO_decoy_scores.csv |
8EMU-WMO | data/8E/8EMU-WMO/8EMU-WMO_ligand.pdbqt | data/8E/8EMU-WMO/8EMU-WMO_target.pdbqt | data/8E/8EMU-WMO/8EMU-WMO_decoys.pdbqt | data/8E/8EMU-WMO/8EMU-WMO_decoy_scores.csv |
8EXG-X38 | data/8E/8EXG-X38/8EXG-X38_ligand.pdbqt | data/8E/8EXG-X38/8EXG-X38_target.pdbqt | data/8E/8EXG-X38/8EXG-X38_decoys.pdbqt | data/8E/8EXG-X38/8EXG-X38_decoy_scores.csv |
8E0S-BGC | data/8E/8E0S-BGC/8E0S-BGC_ligand.pdbqt | data/8E/8E0S-BGC/8E0S-BGC_target.pdbqt | data/8E/8E0S-BGC/8E0S-BGC_decoys.pdbqt | data/8E/8E0S-BGC/8E0S-BGC_decoy_scores.csv |
8EGU-U35 | data/8E/8EGU-U35/8EGU-U35_ligand.pdbqt | data/8E/8EGU-U35/8EGU-U35_target.pdbqt | data/8E/8EGU-U35/8EGU-U35_decoys.pdbqt | data/8E/8EGU-U35/8EGU-U35_decoy_scores.csv |
8E2M-UB6 | data/8E/8E2M-UB6/8E2M-UB6_ligand.pdbqt | data/8E/8E2M-UB6/8E2M-UB6_target.pdbqt | data/8E/8E2M-UB6/8E2M-UB6_decoys.pdbqt | data/8E/8E2M-UB6/8E2M-UB6_decoy_scores.csv |
8E1Y-4WI | data/8E/8E1Y-4WI/8E1Y-4WI_ligand.pdbqt | data/8E/8E1Y-4WI/8E1Y-4WI_target.pdbqt | data/8E/8E1Y-4WI/8E1Y-4WI_decoys.pdbqt | data/8E/8E1Y-4WI/8E1Y-4WI_decoy_scores.csv |
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