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 ⌀ |
|---|---|---|---|---|
4EPT-0QW | data/4E/4EPT-0QW/4EPT-0QW_ligand.pdbqt | data/4E/4EPT-0QW/4EPT-0QW_target.pdbqt | data/4E/4EPT-0QW/4EPT-0QW_decoys.pdbqt | data/4E/4EPT-0QW/4EPT-0QW_decoy_scores.csv |
4EEP-FMN | data/4E/4EEP-FMN/4EEP-FMN_ligand.pdbqt | data/4E/4EEP-FMN/4EEP-FMN_target.pdbqt | data/4E/4EEP-FMN/4EEP-FMN_decoys.pdbqt | data/4E/4EEP-FMN/4EEP-FMN_decoy_scores.csv |
4EIY-OLC | data/4E/4EIY-OLC/4EIY-OLC_ligand.pdbqt | data/4E/4EIY-OLC/4EIY-OLC_target.pdbqt | data/4E/4EIY-OLC/4EIY-OLC_decoys.pdbqt | data/4E/4EIY-OLC/4EIY-OLC_decoy_scores.csv |
4EQP-THP | data/4E/4EQP-THP/4EQP-THP_ligand.pdbqt | data/4E/4EQP-THP/4EQP-THP_target.pdbqt | data/4E/4EQP-THP/4EQP-THP_decoys.pdbqt | data/4E/4EQP-THP/4EQP-THP_decoy_scores.csv |
4E31-JHZ | data/4E/4E31-JHZ/4E31-JHZ_ligand.pdbqt | data/4E/4E31-JHZ/4E31-JHZ_target.pdbqt | data/4E/4E31-JHZ/4E31-JHZ_decoys.pdbqt | data/4E/4E31-JHZ/4E31-JHZ_decoy_scores.csv |
4E90-7RG | data/4E/4E90-7RG/4E90-7RG_ligand.pdbqt | data/4E/4E90-7RG/4E90-7RG_target.pdbqt | data/4E/4E90-7RG/4E90-7RG_decoys.pdbqt | data/4E/4E90-7RG/4E90-7RG_decoy_scores.csv |
4EWN-0VR | data/4E/4EWN-0VR/4EWN-0VR_ligand.pdbqt | data/4E/4EWN-0VR/4EWN-0VR_target.pdbqt | data/4E/4EWN-0VR/4EWN-0VR_decoys.pdbqt | data/4E/4EWN-0VR/4EWN-0VR_decoy_scores.csv |
4EMV-0R9 | data/4E/4EMV-0R9/4EMV-0R9_ligand.pdbqt | data/4E/4EMV-0R9/4EMV-0R9_target.pdbqt | data/4E/4EMV-0R9/4EMV-0R9_decoys.pdbqt | data/4E/4EMV-0R9/4EMV-0R9_decoy_scores.csv |
4EGR-PEP | data/4E/4EGR-PEP/4EGR-PEP_ligand.pdbqt | data/4E/4EGR-PEP/4EGR-PEP_target.pdbqt | data/4E/4EGR-PEP/4EGR-PEP_decoys.pdbqt | data/4E/4EGR-PEP/4EGR-PEP_decoy_scores.csv |
4E2X-TYD | data/4E/4E2X-TYD/4E2X-TYD_ligand.pdbqt | data/4E/4E2X-TYD/4E2X-TYD_target.pdbqt | data/4E/4E2X-TYD/4E2X-TYD_decoys.pdbqt | data/4E/4E2X-TYD/4E2X-TYD_decoy_scores.csv |
4E2B-FMN | data/4E/4E2B-FMN/4E2B-FMN_ligand.pdbqt | data/4E/4E2B-FMN/4E2B-FMN_target.pdbqt | data/4E/4E2B-FMN/4E2B-FMN_decoys.pdbqt | data/4E/4E2B-FMN/4E2B-FMN_decoy_scores.csv |
4E5O-UMP | data/4E/4E5O-UMP/4E5O-UMP_ligand.pdbqt | data/4E/4E5O-UMP/4E5O-UMP_target.pdbqt | data/4E/4E5O-UMP/4E5O-UMP_decoys.pdbqt | data/4E/4E5O-UMP/4E5O-UMP_decoy_scores.csv |
4EFT-EFT | data/4E/4EFT-EFT/4EFT-EFT_ligand.pdbqt | data/4E/4EFT-EFT/4EFT-EFT_target.pdbqt | data/4E/4EFT-EFT/4EFT-EFT_decoys.pdbqt | data/4E/4EFT-EFT/4EFT-EFT_decoy_scores.csv |
4EON-1RO | data/4E/4EON-1RO/4EON-1RO_ligand.pdbqt | data/4E/4EON-1RO/4EON-1RO_target.pdbqt | data/4E/4EON-1RO/4EON-1RO_decoys.pdbqt | data/4E/4EON-1RO/4EON-1RO_decoy_scores.csv |
4EBF-NAD | data/4E/4EBF-NAD/4EBF-NAD_ligand.pdbqt | data/4E/4EBF-NAD/4EBF-NAD_target.pdbqt | data/4E/4EBF-NAD/4EBF-NAD_decoys.pdbqt | data/4E/4EBF-NAD/4EBF-NAD_decoy_scores.csv |
4EFS-E37 | data/4E/4EFS-E37/4EFS-E37_ligand.pdbqt | data/4E/4EFS-E37/4EFS-E37_target.pdbqt | data/4E/4EFS-E37/4EFS-E37_decoys.pdbqt | data/4E/4EFS-E37/4EFS-E37_decoy_scores.csv |
4EOJ-ATP | data/4E/4EOJ-ATP/4EOJ-ATP_ligand.pdbqt | data/4E/4EOJ-ATP/4EOJ-ATP_target.pdbqt | data/4E/4EOJ-ATP/4EOJ-ATP_decoys.pdbqt | data/4E/4EOJ-ATP/4EOJ-ATP_decoy_scores.csv |
4EOE-BLA | data/4E/4EOE-BLA/4EOE-BLA_ligand.pdbqt | data/4E/4EOE-BLA/4EOE-BLA_target.pdbqt | data/4E/4EOE-BLA/4EOE-BLA_decoys.pdbqt | data/4E/4EOE-BLA/4EOE-BLA_decoy_scores.csv |
4EP9-PLM | data/4E/4EP9-PLM/4EP9-PLM_ligand.pdbqt | data/4E/4EP9-PLM/4EP9-PLM_target.pdbqt | data/4E/4EP9-PLM/4EP9-PLM_decoys.pdbqt | data/4E/4EP9-PLM/4EP9-PLM_decoy_scores.csv |
4EYJ-N61 | data/4E/4EYJ-N61/4EYJ-N61_ligand.pdbqt | data/4E/4EYJ-N61/4EYJ-N61_target.pdbqt | data/4E/4EYJ-N61/4EYJ-N61_decoys.pdbqt | data/4E/4EYJ-N61/4EYJ-N61_decoy_scores.csv |
4E2W-JHZ | data/4E/4E2W-JHZ/4E2W-JHZ_ligand.pdbqt | data/4E/4E2W-JHZ/4E2W-JHZ_target.pdbqt | data/4E/4E2W-JHZ/4E2W-JHZ_decoys.pdbqt | data/4E/4E2W-JHZ/4E2W-JHZ_decoy_scores.csv |
4EFC-AMP | data/4E/4EFC-AMP/4EFC-AMP_ligand.pdbqt | data/4E/4EFC-AMP/4EFC-AMP_target.pdbqt | data/4E/4EFC-AMP/4EFC-AMP_decoys.pdbqt | data/4E/4EFC-AMP/4EFC-AMP_decoy_scores.csv |
4EHV-0SJ | data/4E/4EHV-0SJ/4EHV-0SJ_ligand.pdbqt | data/4E/4EHV-0SJ/4EHV-0SJ_target.pdbqt | data/4E/4EHV-0SJ/4EHV-0SJ_decoys.pdbqt | data/4E/4EHV-0SJ/4EHV-0SJ_decoy_scores.csv |
4E2Y-SAH | data/4E/4E2Y-SAH/4E2Y-SAH_ligand.pdbqt | data/4E/4E2Y-SAH/4E2Y-SAH_target.pdbqt | data/4E/4E2Y-SAH/4E2Y-SAH_decoys.pdbqt | data/4E/4E2Y-SAH/4E2Y-SAH_decoy_scores.csv |
4EDR-BEN | data/4E/4EDR-BEN/4EDR-BEN_ligand.pdbqt | data/4E/4EDR-BEN/4EDR-BEN_target.pdbqt | data/4E/4EDR-BEN/4EDR-BEN_decoys.pdbqt | data/4E/4EDR-BEN/4EDR-BEN_decoy_scores.csv |
4EB3-0O3 | data/4E/4EB3-0O3/4EB3-0O3_ligand.pdbqt | data/4E/4EB3-0O3/4EB3-0O3_target.pdbqt | data/4E/4EB3-0O3/4EB3-0O3_decoys.pdbqt | data/4E/4EB3-0O3/4EB3-0O3_decoy_scores.csv |
4E2V-PRF | data/4E/4E2V-PRF/4E2V-PRF_ligand.pdbqt | data/4E/4E2V-PRF/4E2V-PRF_target.pdbqt | data/4E/4E2V-PRF/4E2V-PRF_decoys.pdbqt | data/4E/4E2V-PRF/4E2V-PRF_decoy_scores.csv |
4EET-FMN | data/4E/4EET-FMN/4EET-FMN_ligand.pdbqt | data/4E/4EET-FMN/4EET-FMN_target.pdbqt | data/4E/4EET-FMN/4EET-FMN_decoys.pdbqt | data/4E/4EET-FMN/4EET-FMN_decoy_scores.csv |
4EK5-03K | data/4E/4EK5-03K/4EK5-03K_ligand.pdbqt | data/4E/4EK5-03K/4EK5-03K_target.pdbqt | data/4E/4EK5-03K/4EK5-03K_decoys.pdbqt | data/4E/4EK5-03K/4EK5-03K_decoy_scores.csv |
4EO6-0S2 | data/4E/4EO6-0S2/4EO6-0S2_ligand.pdbqt | data/4E/4EO6-0S2/4EO6-0S2_target.pdbqt | data/4E/4EO6-0S2/4EO6-0S2_decoys.pdbqt | data/4E/4EO6-0S2/4EO6-0S2_decoy_scores.csv |
4E5H-0N8 | data/4E/4E5H-0N8/4E5H-0N8_ligand.pdbqt | data/4E/4E5H-0N8/4E5H-0N8_target.pdbqt | data/4E/4E5H-0N8/4E5H-0N8_decoys.pdbqt | data/4E/4E5H-0N8/4E5H-0N8_decoy_scores.csv |
4EPH-0RK | data/4E/4EPH-0RK/4EPH-0RK_ligand.pdbqt | data/4E/4EPH-0RK/4EPH-0RK_target.pdbqt | data/4E/4EPH-0RK/4EPH-0RK_decoys.pdbqt | data/4E/4EPH-0RK/4EPH-0RK_decoy_scores.csv |
4E5F-0N7 | data/4E/4E5F-0N7/4E5F-0N7_ligand.pdbqt | data/4E/4E5F-0N7/4E5F-0N7_target.pdbqt | data/4E/4E5F-0N7/4E5F-0N7_decoys.pdbqt | data/4E/4E5F-0N7/4E5F-0N7_decoy_scores.csv |
4ELG-52J | data/4E/4ELG-52J/4ELG-52J_ligand.pdbqt | data/4E/4ELG-52J/4ELG-52J_target.pdbqt | data/4E/4ELG-52J/4ELG-52J_decoys.pdbqt | data/4E/4ELG-52J/4ELG-52J_decoy_scores.csv |
4E00-ADP | data/4E/4E00-ADP/4E00-ADP_ligand.pdbqt | data/4E/4E00-ADP/4E00-ADP_target.pdbqt | data/4E/4E00-ADP/4E00-ADP_decoys.pdbqt | data/4E/4E00-ADP/4E00-ADP_decoy_scores.csv |
4EY2-0RM | data/4E/4EY2-0RM/4EY2-0RM_ligand.pdbqt | data/4E/4EY2-0RM/4EY2-0RM_target.pdbqt | data/4E/4EY2-0RM/4EY2-0RM_decoys.pdbqt | data/4E/4EY2-0RM/4EY2-0RM_decoy_scores.csv |
4ED9-NHE | data/4E/4ED9-NHE/4ED9-NHE_ligand.pdbqt | data/4E/4ED9-NHE/4ED9-NHE_target.pdbqt | data/4E/4ED9-NHE/4ED9-NHE_decoys.pdbqt | data/4E/4ED9-NHE/4ED9-NHE_decoy_scores.csv |
4E5L-DBH | data/4E/4E5L-DBH/4E5L-DBH_ligand.pdbqt | data/4E/4E5L-DBH/4E5L-DBH_target.pdbqt | data/4E/4E5L-DBH/4E5L-DBH_decoys.pdbqt | data/4E/4E5L-DBH/4E5L-DBH_decoy_scores.csv |
4EEU-FMN | data/4E/4EEU-FMN/4EEU-FMN_ligand.pdbqt | data/4E/4EEU-FMN/4EEU-FMN_target.pdbqt | data/4E/4EEU-FMN/4EEU-FMN_decoys.pdbqt | data/4E/4EEU-FMN/4EEU-FMN_decoy_scores.csv |
4E70-N7I | data/4E/4E70-N7I/4E70-N7I_ligand.pdbqt | data/4E/4E70-N7I/4E70-N7I_target.pdbqt | data/4E/4E70-N7I/4E70-N7I_decoys.pdbqt | data/4E/4E70-N7I/4E70-N7I_decoy_scores.csv |
4E31-SAH | data/4E/4E31-SAH/4E31-SAH_ligand.pdbqt | data/4E/4E31-SAH/4E31-SAH_target.pdbqt | data/4E/4E31-SAH/4E31-SAH_decoys.pdbqt | data/4E/4E31-SAH/4E31-SAH_decoy_scores.csv |
4EKL-0RF | data/4E/4EKL-0RF/4EKL-0RF_ligand.pdbqt | data/4E/4EKL-0RF/4EKL-0RF_target.pdbqt | data/4E/4EKL-0RF/4EKL-0RF_decoys.pdbqt | data/4E/4EKL-0RF/4EKL-0RF_decoy_scores.csv |
4ESH-THM | data/4E/4ESH-THM/4ESH-THM_ligand.pdbqt | data/4E/4ESH-THM/4ESH-THM_target.pdbqt | data/4E/4ESH-THM/4ESH-THM_decoys.pdbqt | data/4E/4ESH-THM/4ESH-THM_decoy_scores.csv |
4EER-FMN | data/4E/4EER-FMN/4EER-FMN_ligand.pdbqt | data/4E/4EER-FMN/4EER-FMN_target.pdbqt | data/4E/4EER-FMN/4EER-FMN_decoys.pdbqt | data/4E/4EER-FMN/4EER-FMN_decoy_scores.csv |
4E73-0NR | data/4E/4E73-0NR/4E73-0NR_ligand.pdbqt | data/4E/4E73-0NR/4E73-0NR_target.pdbqt | data/4E/4E73-0NR/4E73-0NR_decoys.pdbqt | data/4E/4E73-0NR/4E73-0NR_decoy_scores.csv |
4EZC-BGC | data/4E/4EZC-BGC/4EZC-BGC_ligand.pdbqt | data/4E/4EZC-BGC/4EZC-BGC_target.pdbqt | data/4E/4EZC-BGC/4EZC-BGC_decoys.pdbqt | data/4E/4EZC-BGC/4EZC-BGC_decoy_scores.csv |
4E32-SAH | data/4E/4E32-SAH/4E32-SAH_ligand.pdbqt | data/4E/4E32-SAH/4E32-SAH_target.pdbqt | data/4E/4E32-SAH/4E32-SAH_decoys.pdbqt | data/4E/4E32-SAH/4E32-SAH_decoy_scores.csv |
4EQN-THP | data/4E/4EQN-THP/4EQN-THP_ligand.pdbqt | data/4E/4EQN-THP/4EQN-THP_target.pdbqt | data/4E/4EQN-THP/4EQN-THP_decoys.pdbqt | data/4E/4EQN-THP/4EQN-THP_decoy_scores.csv |
4EMT-C2E | data/4E/4EMT-C2E/4EMT-C2E_ligand.pdbqt | data/4E/4EMT-C2E/4EMT-C2E_target.pdbqt | data/4E/4EMT-C2E/4EMT-C2E_decoys.pdbqt | data/4E/4EMT-C2E/4EMT-C2E_decoy_scores.csv |
4EAY-CS2 | data/4E/4EAY-CS2/4EAY-CS2_ligand.pdbqt | data/4E/4EAY-CS2/4EAY-CS2_target.pdbqt | data/4E/4EAY-CS2/4EAY-CS2_decoys.pdbqt | data/4E/4EAY-CS2/4EAY-CS2_decoy_scores.csv |
4E9B-BB2 | data/4E/4E9B-BB2/4E9B-BB2_ligand.pdbqt | data/4E/4E9B-BB2/4E9B-BB2_target.pdbqt | data/4E/4E9B-BB2/4E9B-BB2_decoys.pdbqt | data/4E/4E9B-BB2/4E9B-BB2_decoy_scores.csv |
4E96-0NS | data/4E/4E96-0NS/4E96-0NS_ligand.pdbqt | data/4E/4E96-0NS/4E96-0NS_target.pdbqt | data/4E/4E96-0NS/4E96-0NS_decoys.pdbqt | data/4E/4E96-0NS/4E96-0NS_decoy_scores.csv |
4EH8-IRG | data/4E/4EH8-IRG/4EH8-IRG_ligand.pdbqt | data/4E/4EH8-IRG/4EH8-IRG_target.pdbqt | data/4E/4EH8-IRG/4EH8-IRG_decoys.pdbqt | data/4E/4EH8-IRG/4EH8-IRG_decoy_scores.csv |
4EPP-APR | data/4E/4EPP-APR/4EPP-APR_ligand.pdbqt | data/4E/4EPP-APR/4EPP-APR_target.pdbqt | data/4E/4EPP-APR/4EPP-APR_decoys.pdbqt | data/4E/4EPP-APR/4EPP-APR_decoy_scores.csv |
4E7D-UDP | data/4E/4E7D-UDP/4E7D-UDP_ligand.pdbqt | data/4E/4E7D-UDP/4E7D-UDP_target.pdbqt | data/4E/4E7D-UDP/4E7D-UDP_decoys.pdbqt | data/4E/4E7D-UDP/4E7D-UDP_decoy_scores.csv |
4EH4-0OL | data/4E/4EH4-0OL/4EH4-0OL_ligand.pdbqt | data/4E/4EH4-0OL/4EH4-0OL_target.pdbqt | data/4E/4EH4-0OL/4EH4-0OL_decoys.pdbqt | data/4E/4EH4-0OL/4EH4-0OL_decoy_scores.csv |
4ERF-0R3 | data/4E/4ERF-0R3/4ERF-0R3_ligand.pdbqt | data/4E/4ERF-0R3/4ERF-0R3_target.pdbqt | data/4E/4ERF-0R3/4ERF-0R3_decoys.pdbqt | data/4E/4ERF-0R3/4ERF-0R3_decoy_scores.csv |
4E1T-OLB | data/4E/4E1T-OLB/4E1T-OLB_ligand.pdbqt | data/4E/4E1T-OLB/4E1T-OLB_target.pdbqt | data/4E/4E1T-OLB/4E1T-OLB_decoys.pdbqt | data/4E/4E1T-OLB/4E1T-OLB_decoy_scores.csv |
4EYQ-ENO | data/4E/4EYQ-ENO/4EYQ-ENO_ligand.pdbqt | data/4E/4EYQ-ENO/4EYQ-ENO_target.pdbqt | data/4E/4EYQ-ENO/4EYQ-ENO_decoys.pdbqt | data/4E/4EYQ-ENO/4EYQ-ENO_decoy_scores.csv |
4E1S-OLB | data/4E/4E1S-OLB/4E1S-OLB_ligand.pdbqt | data/4E/4E1S-OLB/4E1S-OLB_target.pdbqt | data/4E/4E1S-OLB/4E1S-OLB_decoys.pdbqt | data/4E/4E1S-OLB/4E1S-OLB_decoy_scores.csv |
4ETW-ZMK | data/4E/4ETW-ZMK/4ETW-ZMK_ligand.pdbqt | data/4E/4ETW-ZMK/4ETW-ZMK_target.pdbqt | data/4E/4ETW-ZMK/4ETW-ZMK_decoys.pdbqt | data/4E/4ETW-ZMK/4ETW-ZMK_decoy_scores.csv |
4EFH-ADP | data/4E/4EFH-ADP/4EFH-ADP_ligand.pdbqt | data/4E/4EFH-ADP/4EFH-ADP_target.pdbqt | data/4E/4EFH-ADP/4EFH-ADP_decoys.pdbqt | data/4E/4EFH-ADP/4EFH-ADP_decoy_scores.csv |
4EDT-G4P | data/4E/4EDT-G4P/4EDT-G4P_ligand.pdbqt | data/4E/4EDT-G4P/4EDT-G4P_target.pdbqt | data/4E/4EDT-G4P/4EDT-G4P_decoys.pdbqt | data/4E/4EDT-G4P/4EDT-G4P_decoy_scores.csv |
4EZ7-STU | data/4E/4EZ7-STU/4EZ7-STU_ligand.pdbqt | data/4E/4EZ7-STU/4EZ7-STU_target.pdbqt | data/4E/4EZ7-STU/4EZ7-STU_decoys.pdbqt | data/4E/4EZ7-STU/4EZ7-STU_decoy_scores.csv |
4E7F-UDP | data/4E/4E7F-UDP/4E7F-UDP_ligand.pdbqt | data/4E/4E7F-UDP/4E7F-UDP_target.pdbqt | data/4E/4E7F-UDP/4E7F-UDP_decoys.pdbqt | data/4E/4E7F-UDP/4E7F-UDP_decoy_scores.csv |
4E0W-KAI | data/4E/4E0W-KAI/4E0W-KAI_ligand.pdbqt | data/4E/4E0W-KAI/4E0W-KAI_target.pdbqt | data/4E/4E0W-KAI/4E0W-KAI_decoys.pdbqt | data/4E/4E0W-KAI/4E0W-KAI_decoy_scores.csv |
4EQE-KAA | data/4E/4EQE-KAA/4EQE-KAA_ligand.pdbqt | data/4E/4EQE-KAA/4EQE-KAA_target.pdbqt | data/4E/4EQE-KAA/4EQE-KAA_decoys.pdbqt | data/4E/4EQE-KAA/4EQE-KAA_decoy_scores.csv |
4E1M-TQ2 | data/4E/4E1M-TQ2/4E1M-TQ2_ligand.pdbqt | data/4E/4E1M-TQ2/4E1M-TQ2_target.pdbqt | null | null |
4EV0-CMP | data/4E/4EV0-CMP/4EV0-CMP_ligand.pdbqt | data/4E/4EV0-CMP/4EV0-CMP_target.pdbqt | data/4E/4EV0-CMP/4EV0-CMP_decoys.pdbqt | data/4E/4EV0-CMP/4EV0-CMP_decoy_scores.csv |
4E02-WJ1 | data/4E/4E02-WJ1/4E02-WJ1_ligand.pdbqt | data/4E/4E02-WJ1/4E02-WJ1_target.pdbqt | data/4E/4E02-WJ1/4E02-WJ1_decoys.pdbqt | data/4E/4E02-WJ1/4E02-WJ1_decoy_scores.csv |
4EN4-ATP | data/4E/4EN4-ATP/4EN4-ATP_ligand.pdbqt | data/4E/4EN4-ATP/4EN4-ATP_target.pdbqt | data/4E/4EN4-ATP/4EN4-ATP_decoys.pdbqt | data/4E/4EN4-ATP/4EN4-ATP_decoy_scores.csv |
4E5U-TMP | data/4E/4E5U-TMP/4E5U-TMP_ligand.pdbqt | data/4E/4E5U-TMP/4E5U-TMP_target.pdbqt | data/4E/4E5U-TMP/4E5U-TMP_decoys.pdbqt | data/4E/4E5U-TMP/4E5U-TMP_decoy_scores.csv |
4EVI-N7I | data/4E/4EVI-N7I/4EVI-N7I_ligand.pdbqt | data/4E/4EVI-N7I/4EVI-N7I_target.pdbqt | data/4E/4EVI-N7I/4EVI-N7I_decoys.pdbqt | data/4E/4EVI-N7I/4EVI-N7I_decoy_scores.csv |
4EA2-RWZ | data/4E/4EA2-RWZ/4EA2-RWZ_ligand.pdbqt | data/4E/4EA2-RWZ/4EA2-RWZ_target.pdbqt | data/4E/4EA2-RWZ/4EA2-RWZ_decoys.pdbqt | data/4E/4EA2-RWZ/4EA2-RWZ_decoy_scores.csv |
4EIY-ZMA | data/4E/4EIY-ZMA/4EIY-ZMA_ligand.pdbqt | data/4E/4EIY-ZMA/4EIY-ZMA_target.pdbqt | data/4E/4EIY-ZMA/4EIY-ZMA_decoys.pdbqt | data/4E/4EIY-ZMA/4EIY-ZMA_decoy_scores.csv |
4EXG-916 | data/4E/4EXG-916/4EXG-916_ligand.pdbqt | data/4E/4EXG-916/4EXG-916_target.pdbqt | data/4E/4EXG-916/4EXG-916_decoys.pdbqt | data/4E/4EXG-916/4EXG-916_decoy_scores.csv |
4EA1-3RX | data/4E/4EA1-3RX/4EA1-3RX_ligand.pdbqt | data/4E/4EA1-3RX/4EA1-3RX_target.pdbqt | data/4E/4EA1-3RX/4EA1-3RX_decoys.pdbqt | data/4E/4EA1-3RX/4EA1-3RX_decoy_scores.csv |
4EVI-C9M | data/4E/4EVI-C9M/4EVI-C9M_ligand.pdbqt | data/4E/4EVI-C9M/4EVI-C9M_target.pdbqt | data/4E/4EVI-C9M/4EVI-C9M_decoys.pdbqt | data/4E/4EVI-C9M/4EVI-C9M_decoy_scores.csv |
4EA8-JB3 | data/4E/4EA8-JB3/4EA8-JB3_ligand.pdbqt | data/4E/4EA8-JB3/4EA8-JB3_target.pdbqt | data/4E/4EA8-JB3/4EA8-JB3_decoys.pdbqt | data/4E/4EA8-JB3/4EA8-JB3_decoy_scores.csv |
4E04-LBV | data/4E/4E04-LBV/4E04-LBV_ligand.pdbqt | data/4E/4E04-LBV/4E04-LBV_target.pdbqt | data/4E/4E04-LBV/4E04-LBV_decoys.pdbqt | data/4E/4E04-LBV/4E04-LBV_decoy_scores.csv |
4E13-NAD | data/4E/4E13-NAD/4E13-NAD_ligand.pdbqt | data/4E/4E13-NAD/4E13-NAD_target.pdbqt | data/4E/4E13-NAD/4E13-NAD_decoys.pdbqt | data/4E/4E13-NAD/4E13-NAD_decoy_scores.csv |
4EOM-ATP | data/4E/4EOM-ATP/4EOM-ATP_ligand.pdbqt | data/4E/4EOM-ATP/4EOM-ATP_target.pdbqt | data/4E/4EOM-ATP/4EOM-ATP_decoys.pdbqt | data/4E/4EOM-ATP/4EOM-ATP_decoy_scores.csv |
4EMI-NAD | data/4E/4EMI-NAD/4EMI-NAD_ligand.pdbqt | data/4E/4EMI-NAD/4EMI-NAD_target.pdbqt | data/4E/4EMI-NAD/4EMI-NAD_decoys.pdbqt | data/4E/4EMI-NAD/4EMI-NAD_decoy_scores.csv |
4EL9-AFE | data/4E/4EL9-AFE/4EL9-AFE_ligand.pdbqt | data/4E/4EL9-AFE/4EL9-AFE_target.pdbqt | data/4E/4EL9-AFE/4EL9-AFE_decoys.pdbqt | data/4E/4EL9-AFE/4EL9-AFE_decoy_scores.csv |
4EA0-651 | data/4E/4EA0-651/4EA0-651_ligand.pdbqt | data/4E/4EA0-651/4EA0-651_target.pdbqt | data/4E/4EA0-651/4EA0-651_decoys.pdbqt | data/4E/4EA0-651/4EA0-651_decoy_scores.csv |
4EUU-BX7 | data/4E/4EUU-BX7/4EUU-BX7_ligand.pdbqt | data/4E/4EUU-BX7/4EUU-BX7_target.pdbqt | data/4E/4EUU-BX7/4EUU-BX7_decoys.pdbqt | data/4E/4EUU-BX7/4EUU-BX7_decoy_scores.csv |
4EK6-10K | data/4E/4EK6-10K/4EK6-10K_ligand.pdbqt | data/4E/4EK6-10K/4EK6-10K_target.pdbqt | data/4E/4EK6-10K/4EK6-10K_decoys.pdbqt | data/4E/4EK6-10K/4EK6-10K_decoy_scores.csv |
4ER6-AW2 | data/4E/4ER6-AW2/4ER6-AW2_ligand.pdbqt | data/4E/4ER6-AW2/4ER6-AW2_target.pdbqt | data/4E/4ER6-AW2/4ER6-AW2_decoys.pdbqt | data/4E/4ER6-AW2/4ER6-AW2_decoy_scores.csv |
4EFM-GNP | data/4E/4EFM-GNP/4EFM-GNP_ligand.pdbqt | data/4E/4EFM-GNP/4EFM-GNP_target.pdbqt | data/4E/4EFM-GNP/4EFM-GNP_decoys.pdbqt | data/4E/4EFM-GNP/4EFM-GNP_decoy_scores.csv |
4EK1-CAM | data/4E/4EK1-CAM/4EK1-CAM_ligand.pdbqt | data/4E/4EK1-CAM/4EK1-CAM_target.pdbqt | data/4E/4EK1-CAM/4EK1-CAM_decoys.pdbqt | data/4E/4EK1-CAM/4EK1-CAM_decoy_scores.csv |
4EOL-1RO | data/4E/4EOL-1RO/4EOL-1RO_ligand.pdbqt | data/4E/4EOL-1RO/4EOL-1RO_target.pdbqt | data/4E/4EOL-1RO/4EOL-1RO_decoys.pdbqt | data/4E/4EOL-1RO/4EOL-1RO_decoy_scores.csv |
4E1Z-0MX | data/4E/4E1Z-0MX/4E1Z-0MX_ligand.pdbqt | data/4E/4E1Z-0MX/4E1Z-0MX_target.pdbqt | data/4E/4E1Z-0MX/4E1Z-0MX_decoys.pdbqt | data/4E/4E1Z-0MX/4E1Z-0MX_decoy_scores.csv |
4EJD-1F1 | data/4E/4EJD-1F1/4EJD-1F1_ligand.pdbqt | data/4E/4EJD-1F1/4EJD-1F1_target.pdbqt | data/4E/4EJD-1F1/4EJD-1F1_decoys.pdbqt | data/4E/4EJD-1F1/4EJD-1F1_decoy_scores.csv |
4EAR-IM5 | data/4E/4EAR-IM5/4EAR-IM5_ligand.pdbqt | data/4E/4EAR-IM5/4EAR-IM5_target.pdbqt | data/4E/4EAR-IM5/4EAR-IM5_decoys.pdbqt | data/4E/4EAR-IM5/4EAR-IM5_decoy_scores.csv |
4EAQ-ATM | data/4E/4EAQ-ATM/4EAQ-ATM_ligand.pdbqt | data/4E/4EAQ-ATM/4EAQ-ATM_target.pdbqt | data/4E/4EAQ-ATM/4EAQ-ATM_decoys.pdbqt | data/4E/4EAQ-ATM/4EAQ-ATM_decoy_scores.csv |
4EFU-EFU | data/4E/4EFU-EFU/4EFU-EFU_ligand.pdbqt | data/4E/4EFU-EFU/4EFU-EFU_target.pdbqt | data/4E/4EFU-EFU/4EFU-EFU_decoys.pdbqt | data/4E/4EFU-EFU/4EFU-EFU_decoy_scores.csv |
4EUZ-MEM | data/4E/4EUZ-MEM/4EUZ-MEM_ligand.pdbqt | data/4E/4EUZ-MEM/4EUZ-MEM_target.pdbqt | data/4E/4EUZ-MEM/4EUZ-MEM_decoys.pdbqt | data/4E/4EUZ-MEM/4EUZ-MEM_decoy_scores.csv |
4ETP-EBC | data/4E/4ETP-EBC/4ETP-EBC_ligand.pdbqt | data/4E/4ETP-EBC/4ETP-EBC_target.pdbqt | data/4E/4ETP-EBC/4ETP-EBC_decoys.pdbqt | data/4E/4ETP-EBC/4ETP-EBC_decoy_scores.csv |
4E4N-0NL | data/4E/4E4N-0NL/4E4N-0NL_ligand.pdbqt | data/4E/4E4N-0NL/4E4N-0NL_target.pdbqt | data/4E/4E4N-0NL/4E4N-0NL_decoys.pdbqt | data/4E/4E4N-0NL/4E4N-0NL_decoy_scores.csv |
4EOP-1RO | data/4E/4EOP-1RO/4EOP-1RO_ligand.pdbqt | data/4E/4EOP-1RO/4EOP-1RO_target.pdbqt | data/4E/4EOP-1RO/4EOP-1RO_decoys.pdbqt | data/4E/4EOP-1RO/4EOP-1RO_decoy_scores.csv |
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