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 ⌀ |
|---|---|---|---|---|
4E32-DWN | data/4E/4E32-DWN/4E32-DWN_ligand.pdbqt | data/4E/4E32-DWN/4E32-DWN_target.pdbqt | data/4E/4E32-DWN/4E32-DWN_decoys.pdbqt | data/4E/4E32-DWN/4E32-DWN_decoy_scores.csv |
4EE0-GSF | data/4E/4EE0-GSF/4EE0-GSF_ligand.pdbqt | data/4E/4EE0-GSF/4EE0-GSF_target.pdbqt | data/4E/4EE0-GSF/4EE0-GSF_decoys.pdbqt | data/4E/4EE0-GSF/4EE0-GSF_decoy_scores.csv |
4EDV-BEN | data/4E/4EDV-BEN/4EDV-BEN_ligand.pdbqt | data/4E/4EDV-BEN/4EDV-BEN_target.pdbqt | data/4E/4EDV-BEN/4EDV-BEN_decoys.pdbqt | data/4E/4EDV-BEN/4EDV-BEN_decoy_scores.csv |
4E2K-BEN | data/4E/4E2K-BEN/4E2K-BEN_ligand.pdbqt | data/4E/4E2K-BEN/4E2K-BEN_target.pdbqt | data/4E/4E2K-BEN/4E2K-BEN_decoys.pdbqt | data/4E/4E2K-BEN/4E2K-BEN_decoy_scores.csv |
4EWQ-GG5 | data/4E/4EWQ-GG5/4EWQ-GG5_ligand.pdbqt | data/4E/4EWQ-GG5/4EWQ-GG5_target.pdbqt | data/4E/4EWQ-GG5/4EWQ-GG5_decoys.pdbqt | data/4E/4EWQ-GG5/4EWQ-GG5_decoy_scores.csv |
4E4A-JKE | data/4E/4E4A-JKE/4E4A-JKE_ligand.pdbqt | data/4E/4E4A-JKE/4E4A-JKE_target.pdbqt | data/4E/4E4A-JKE/4E4A-JKE_decoys.pdbqt | data/4E/4E4A-JKE/4E4A-JKE_decoy_scores.csv |
4E01-ANP | data/4E/4E01-ANP/4E01-ANP_ligand.pdbqt | data/4E/4E01-ANP/4E01-ANP_target.pdbqt | data/4E/4E01-ANP/4E01-ANP_decoys.pdbqt | data/4E/4E01-ANP/4E01-ANP_decoy_scores.csv |
4E7B-UPG | data/4E/4E7B-UPG/4E7B-UPG_ligand.pdbqt | data/4E/4E7B-UPG/4E7B-UPG_target.pdbqt | data/4E/4E7B-UPG/4E7B-UPG_decoys.pdbqt | data/4E/4E7B-UPG/4E7B-UPG_decoy_scores.csv |
4EEI-AMP | data/4E/4EEI-AMP/4EEI-AMP_ligand.pdbqt | data/4E/4EEI-AMP/4EEI-AMP_target.pdbqt | data/4E/4EEI-AMP/4EEI-AMP_decoys.pdbqt | data/4E/4EEI-AMP/4EEI-AMP_decoy_scores.csv |
4ECM-DAU | data/4E/4ECM-DAU/4ECM-DAU_ligand.pdbqt | data/4E/4ECM-DAU/4ECM-DAU_target.pdbqt | data/4E/4ECM-DAU/4ECM-DAU_decoys.pdbqt | data/4E/4ECM-DAU/4ECM-DAU_decoy_scores.csv |
4EFB-0OW | data/4E/4EFB-0OW/4EFB-0OW_ligand.pdbqt | data/4E/4EFB-0OW/4EFB-0OW_target.pdbqt | data/4E/4EFB-0OW/4EFB-0OW_decoys.pdbqt | data/4E/4EFB-0OW/4EFB-0OW_decoy_scores.csv |
4EWO-996 | data/4E/4EWO-996/4EWO-996_ligand.pdbqt | data/4E/4EWO-996/4EWO-996_target.pdbqt | data/4E/4EWO-996/4EWO-996_decoys.pdbqt | data/4E/4EWO-996/4EWO-996_decoy_scores.csv |
4ESE-FMN | data/4E/4ESE-FMN/4ESE-FMN_ligand.pdbqt | data/4E/4ESE-FMN/4ESE-FMN_target.pdbqt | data/4E/4ESE-FMN/4ESE-FMN_decoys.pdbqt | data/4E/4ESE-FMN/4ESE-FMN_decoy_scores.csv |
4E2Z-JHZ | data/4E/4E2Z-JHZ/4E2Z-JHZ_ligand.pdbqt | data/4E/4E2Z-JHZ/4E2Z-JHZ_target.pdbqt | data/4E/4E2Z-JHZ/4E2Z-JHZ_decoys.pdbqt | data/4E/4E2Z-JHZ/4E2Z-JHZ_decoy_scores.csv |
4EBP-CEF | data/4E/4EBP-CEF/4EBP-CEF_ligand.pdbqt | data/4E/4EBP-CEF/4EBP-CEF_target.pdbqt | data/4E/4EBP-CEF/4EBP-CEF_decoys.pdbqt | data/4E/4EBP-CEF/4EBP-CEF_decoy_scores.csv |
4EMN-BEN | data/4E/4EMN-BEN/4EMN-BEN_ligand.pdbqt | data/4E/4EMN-BEN/4EMN-BEN_target.pdbqt | data/4E/4EMN-BEN/4EMN-BEN_decoys.pdbqt | data/4E/4EMN-BEN/4EMN-BEN_decoy_scores.csv |
4EOX-0S5 | data/4E/4EOX-0S5/4EOX-0S5_ligand.pdbqt | data/4E/4EOX-0S5/4EOX-0S5_target.pdbqt | data/4E/4EOX-0S5/4EOX-0S5_decoys.pdbqt | data/4E/4EOX-0S5/4EOX-0S5_decoy_scores.csv |
4EI7-GDP | data/4E/4EI7-GDP/4EI7-GDP_ligand.pdbqt | data/4E/4EI7-GDP/4EI7-GDP_target.pdbqt | data/4E/4EI7-GDP/4EI7-GDP_decoys.pdbqt | data/4E/4EI7-GDP/4EI7-GDP_decoy_scores.csv |
4EYK-DHB | data/4E/4EYK-DHB/4EYK-DHB_ligand.pdbqt | data/4E/4EYK-DHB/4EYK-DHB_target.pdbqt | data/4E/4EYK-DHB/4EYK-DHB_decoys.pdbqt | data/4E/4EYK-DHB/4EYK-DHB_decoy_scores.csv |
4EDH-ADP | data/4E/4EDH-ADP/4EDH-ADP_ligand.pdbqt | data/4E/4EDH-ADP/4EDH-ADP_target.pdbqt | data/4E/4EDH-ADP/4EDH-ADP_decoys.pdbqt | data/4E/4EDH-ADP/4EDH-ADP_decoy_scores.csv |
4EOI-1RO | data/4E/4EOI-1RO/4EOI-1RO_ligand.pdbqt | data/4E/4EOI-1RO/4EOI-1RO_target.pdbqt | data/4E/4EOI-1RO/4EOI-1RO_decoys.pdbqt | data/4E/4EOI-1RO/4EOI-1RO_decoy_scores.csv |
4EF9-4NF | data/4E/4EF9-4NF/4EF9-4NF_ligand.pdbqt | data/4E/4EF9-4NF/4EF9-4NF_target.pdbqt | data/4E/4EF9-4NF/4EF9-4NF_decoys.pdbqt | data/4E/4EF9-4NF/4EF9-4NF_decoy_scores.csv |
4EGU-5GP | data/4E/4EGU-5GP/4EGU-5GP_ligand.pdbqt | data/4E/4EGU-5GP/4EGU-5GP_target.pdbqt | data/4E/4EGU-5GP/4EGU-5GP_decoys.pdbqt | data/4E/4EGU-5GP/4EGU-5GP_decoy_scores.csv |
4EH3-NAR | data/4E/4EH3-NAR/4EH3-NAR_ligand.pdbqt | data/4E/4EH3-NAR/4EH3-NAR_target.pdbqt | data/4E/4EH3-NAR/4EH3-NAR_decoys.pdbqt | data/4E/4EH3-NAR/4EH3-NAR_decoy_scores.csv |
4E7S-ADP | data/4E/4E7S-ADP/4E7S-ADP_ligand.pdbqt | data/4E/4E7S-ADP/4E7S-ADP_target.pdbqt | null | null |
4EFN-GNP | data/4E/4EFN-GNP/4EFN-GNP_ligand.pdbqt | data/4E/4EFN-GNP/4EFN-GNP_target.pdbqt | data/4E/4EFN-GNP/4EFN-GNP_decoys.pdbqt | data/4E/4EFN-GNP/4EFN-GNP_decoy_scores.csv |
4EG2-URI | data/4E/4EG2-URI/4EG2-URI_ligand.pdbqt | data/4E/4EG2-URI/4EG2-URI_target.pdbqt | data/4E/4EG2-URI/4EG2-URI_decoys.pdbqt | data/4E/4EG2-URI/4EG2-URI_decoy_scores.csv |
4EDF-UPG | data/4E/4EDF-UPG/4EDF-UPG_ligand.pdbqt | data/4E/4EDF-UPG/4EDF-UPG_target.pdbqt | data/4E/4EDF-UPG/4EDF-UPG_decoys.pdbqt | data/4E/4EDF-UPG/4EDF-UPG_decoy_scores.csv |
4EPV-0QX | data/4E/4EPV-0QX/4EPV-0QX_ligand.pdbqt | data/4E/4EPV-0QX/4EPV-0QX_target.pdbqt | data/4E/4EPV-0QX/4EPV-0QX_decoys.pdbqt | data/4E/4EPV-0QX/4EPV-0QX_decoy_scores.csv |
4EUM-AMP | data/4E/4EUM-AMP/4EUM-AMP_ligand.pdbqt | data/4E/4EUM-AMP/4EUM-AMP_target.pdbqt | data/4E/4EUM-AMP/4EUM-AMP_decoys.pdbqt | data/4E/4EUM-AMP/4EUM-AMP_decoy_scores.csv |
4EX5-LYS | data/4E/4EX5-LYS/4EX5-LYS_ligand.pdbqt | data/4E/4EX5-LYS/4EX5-LYS_target.pdbqt | data/4E/4EX5-LYS/4EX5-LYS_decoys.pdbqt | data/4E/4EX5-LYS/4EX5-LYS_decoy_scores.csv |
4EOC-BLA | data/4E/4EOC-BLA/4EOC-BLA_ligand.pdbqt | data/4E/4EOC-BLA/4EOC-BLA_target.pdbqt | data/4E/4EOC-BLA/4EOC-BLA_decoys.pdbqt | data/4E/4EOC-BLA/4EOC-BLA_decoy_scores.csv |
4EFE-0OV | data/4E/4EFE-0OV/4EFE-0OV_ligand.pdbqt | data/4E/4EFE-0OV/4EFE-0OV_target.pdbqt | data/4E/4EFE-0OV/4EFE-0OV_decoys.pdbqt | data/4E/4EFE-0OV/4EFE-0OV_decoy_scores.csv |
4ES5-MGT | data/4E/4ES5-MGT/4ES5-MGT_ligand.pdbqt | data/4E/4ES5-MGT/4ES5-MGT_target.pdbqt | data/4E/4ES5-MGT/4ES5-MGT_decoys.pdbqt | data/4E/4ES5-MGT/4ES5-MGT_decoy_scores.csv |
4E8C-GAL | data/4E/4E8C-GAL/4E8C-GAL_ligand.pdbqt | data/4E/4E8C-GAL/4E8C-GAL_target.pdbqt | data/4E/4E8C-GAL/4E8C-GAL_decoys.pdbqt | data/4E/4E8C-GAL/4E8C-GAL_decoy_scores.csv |
4ELF-35I | data/4E/4ELF-35I/4ELF-35I_ligand.pdbqt | data/4E/4ELF-35I/4ELF-35I_target.pdbqt | data/4E/4ELF-35I/4ELF-35I_decoys.pdbqt | data/4E/4ELF-35I/4ELF-35I_decoy_scores.csv |
4EYB-0WO | data/4E/4EYB-0WO/4EYB-0WO_ligand.pdbqt | data/4E/4EYB-0WO/4EYB-0WO_target.pdbqt | data/4E/4EYB-0WO/4EYB-0WO_decoys.pdbqt | data/4E/4EYB-0WO/4EYB-0WO_decoy_scores.csv |
4E4Q-RRH | data/4E/4E4Q-RRH/4E4Q-RRH_ligand.pdbqt | data/4E/4E4Q-RRH/4E4Q-RRH_target.pdbqt | data/4E/4E4Q-RRH/4E4Q-RRH_decoys.pdbqt | data/4E/4E4Q-RRH/4E4Q-RRH_decoy_scores.csv |
4EO3-FMN | data/4E/4EO3-FMN/4EO3-FMN_ligand.pdbqt | data/4E/4EO3-FMN/4EO3-FMN_target.pdbqt | data/4E/4EO3-FMN/4EO3-FMN_decoys.pdbqt | data/4E/4EO3-FMN/4EO3-FMN_decoy_scores.csv |
4EM2-SAL | data/4E/4EM2-SAL/4EM2-SAL_ligand.pdbqt | data/4E/4EM2-SAL/4EM2-SAL_target.pdbqt | data/4E/4EM2-SAL/4EM2-SAL_decoys.pdbqt | data/4E/4EM2-SAL/4EM2-SAL_decoy_scores.csv |
4E3Q-BEN | data/4E/4E3Q-BEN/4E3Q-BEN_ligand.pdbqt | data/4E/4E3Q-BEN/4E3Q-BEN_target.pdbqt | data/4E/4E3Q-BEN/4E3Q-BEN_decoys.pdbqt | data/4E/4E3Q-BEN/4E3Q-BEN_decoy_scores.csv |
4EOQ-ATP | data/4E/4EOQ-ATP/4EOQ-ATP_ligand.pdbqt | data/4E/4EOQ-ATP/4EOQ-ATP_target.pdbqt | data/4E/4EOQ-ATP/4EOQ-ATP_decoys.pdbqt | data/4E/4EOQ-ATP/4EOQ-ATP_decoy_scores.csv |
4EYM-0RX | data/4E/4EYM-0RX/4EYM-0RX_ligand.pdbqt | data/4E/4EYM-0RX/4EYM-0RX_target.pdbqt | data/4E/4EYM-0RX/4EYM-0RX_decoys.pdbqt | data/4E/4EYM-0RX/4EYM-0RX_decoy_scores.csv |
4EPV-GDP | data/4E/4EPV-GDP/4EPV-GDP_ligand.pdbqt | data/4E/4EPV-GDP/4EPV-GDP_target.pdbqt | data/4E/4EPV-GDP/4EPV-GDP_decoys.pdbqt | data/4E/4EPV-GDP/4EPV-GDP_decoy_scores.csv |
4EDY-9PQ | data/4E/4EDY-9PQ/4EDY-9PQ_ligand.pdbqt | data/4E/4EDY-9PQ/4EDY-9PQ_target.pdbqt | data/4E/4EDY-9PQ/4EDY-9PQ_decoys.pdbqt | data/4E/4EDY-9PQ/4EDY-9PQ_decoy_scores.csv |
4EB4-D16 | data/4E/4EB4-D16/4EB4-D16_ligand.pdbqt | data/4E/4EB4-D16/4EB4-D16_target.pdbqt | data/4E/4EB4-D16/4EB4-D16_decoys.pdbqt | data/4E/4EB4-D16/4EB4-D16_decoy_scores.csv |
4EJJ-NCT | data/4E/4EJJ-NCT/4EJJ-NCT_ligand.pdbqt | data/4E/4EJJ-NCT/4EJJ-NCT_target.pdbqt | data/4E/4EJJ-NCT/4EJJ-NCT_decoys.pdbqt | data/4E/4EJJ-NCT/4EJJ-NCT_decoy_scores.csv |
4EHM-PJA | data/4E/4EHM-PJA/4EHM-PJA_ligand.pdbqt | data/4E/4EHM-PJA/4EHM-PJA_target.pdbqt | data/4E/4EHM-PJA/4EHM-PJA_decoys.pdbqt | data/4E/4EHM-PJA/4EHM-PJA_decoy_scores.csv |
4EI4-0Q2 | data/4E/4EI4-0Q2/4EI4-0Q2_ligand.pdbqt | data/4E/4EI4-0Q2/4EI4-0Q2_target.pdbqt | data/4E/4EI4-0Q2/4EI4-0Q2_decoys.pdbqt | data/4E/4EI4-0Q2/4EI4-0Q2_decoy_scores.csv |
4EDV-0O2 | data/4E/4EDV-0O2/4EDV-0O2_ligand.pdbqt | data/4E/4EDV-0O2/4EDV-0O2_target.pdbqt | data/4E/4EDV-0O2/4EDV-0O2_decoys.pdbqt | data/4E/4EDV-0O2/4EDV-0O2_decoy_scores.csv |
4EGH-0OY | data/4E/4EGH-0OY/4EGH-0OY_ligand.pdbqt | data/4E/4EGH-0OY/4EGH-0OY_target.pdbqt | data/4E/4EGH-0OY/4EGH-0OY_decoys.pdbqt | data/4E/4EGH-0OY/4EGH-0OY_decoy_scores.csv |
4EFK-0OC | data/4E/4EFK-0OC/4EFK-0OC_ligand.pdbqt | data/4E/4EFK-0OC/4EFK-0OC_target.pdbqt | data/4E/4EFK-0OC/4EFK-0OC_decoys.pdbqt | data/4E/4EFK-0OC/4EFK-0OC_decoy_scores.csv |
4EPY-0QY | data/4E/4EPY-0QY/4EPY-0QY_ligand.pdbqt | data/4E/4EPY-0QY/4EPY-0QY_target.pdbqt | data/4E/4EPY-0QY/4EPY-0QY_decoys.pdbqt | data/4E/4EPY-0QY/4EPY-0QY_decoy_scores.csv |
4EPX-GDP | data/4E/4EPX-GDP/4EPX-GDP_ligand.pdbqt | data/4E/4EPX-GDP/4EPX-GDP_target.pdbqt | data/4E/4EPX-GDP/4EPX-GDP_decoys.pdbqt | data/4E/4EPX-GDP/4EPX-GDP_decoy_scores.csv |
4EOH-TEP | data/4E/4EOH-TEP/4EOH-TEP_ligand.pdbqt | data/4E/4EOH-TEP/4EOH-TEP_target.pdbqt | data/4E/4EOH-TEP/4EOH-TEP_decoys.pdbqt | data/4E/4EOH-TEP/4EOH-TEP_decoy_scores.csv |
4E5K-NAD | data/4E/4E5K-NAD/4E5K-NAD_ligand.pdbqt | data/4E/4E5K-NAD/4E5K-NAD_target.pdbqt | data/4E/4E5K-NAD/4E5K-NAD_decoys.pdbqt | data/4E/4E5K-NAD/4E5K-NAD_decoy_scores.csv |
4E00-0F1 | data/4E/4E00-0F1/4E00-0F1_ligand.pdbqt | data/4E/4E00-0F1/4E00-0F1_target.pdbqt | data/4E/4E00-0F1/4E00-0F1_decoys.pdbqt | data/4E/4E00-0F1/4E00-0F1_decoy_scores.csv |
4E3D-GTQ | data/4E/4E3D-GTQ/4E3D-GTQ_ligand.pdbqt | data/4E/4E3D-GTQ/4E3D-GTQ_target.pdbqt | data/4E/4E3D-GTQ/4E3D-GTQ_decoys.pdbqt | data/4E/4E3D-GTQ/4E3D-GTQ_decoy_scores.csv |
4EWL-PE4 | data/4E/4EWL-PE4/4EWL-PE4_ligand.pdbqt | data/4E/4EWL-PE4/4EWL-PE4_target.pdbqt | data/4E/4EWL-PE4/4EWL-PE4_decoys.pdbqt | data/4E/4EWL-PE4/4EWL-PE4_decoy_scores.csv |
4EC0-7PQ | data/4E/4EC0-7PQ/4EC0-7PQ_ligand.pdbqt | data/4E/4EC0-7PQ/4EC0-7PQ_target.pdbqt | data/4E/4EC0-7PQ/4EC0-7PQ_decoys.pdbqt | data/4E/4EC0-7PQ/4EC0-7PQ_decoy_scores.csv |
4EH8-0OP | data/4E/4EH8-0OP/4EH8-0OP_ligand.pdbqt | data/4E/4EH8-0OP/4EH8-0OP_target.pdbqt | data/4E/4EH8-0OP/4EH8-0OP_decoys.pdbqt | data/4E/4EH8-0OP/4EH8-0OP_decoy_scores.csv |
4EZ3-0S0 | data/4E/4EZ3-0S0/4EZ3-0S0_ligand.pdbqt | data/4E/4EZ3-0S0/4EZ3-0S0_target.pdbqt | data/4E/4EZ3-0S0/4EZ3-0S0_decoys.pdbqt | data/4E/4EZ3-0S0/4EZ3-0S0_decoy_scores.csv |
4E4L-0NH | data/4E/4E4L-0NH/4E4L-0NH_ligand.pdbqt | data/4E/4E4L-0NH/4E4L-0NH_target.pdbqt | data/4E/4E4L-0NH/4E4L-0NH_decoys.pdbqt | data/4E/4E4L-0NH/4E4L-0NH_decoy_scores.csv |
4E5J-581 | data/4E/4E5J-581/4E5J-581_ligand.pdbqt | data/4E/4E5J-581/4E5J-581_target.pdbqt | data/4E/4E5J-581/4E5J-581_decoys.pdbqt | data/4E/4E5J-581/4E5J-581_decoy_scores.csv |
4E6D-0NU | data/4E/4E6D-0NU/4E6D-0NU_ligand.pdbqt | data/4E/4E6D-0NU/4E6D-0NU_target.pdbqt | data/4E/4E6D-0NU/4E6D-0NU_decoys.pdbqt | data/4E/4E6D-0NU/4E6D-0NU_decoy_scores.csv |
4E1S-OLC | data/4E/4E1S-OLC/4E1S-OLC_ligand.pdbqt | data/4E/4E1S-OLC/4E1S-OLC_target.pdbqt | data/4E/4E1S-OLC/4E1S-OLC_decoys.pdbqt | data/4E/4E1S-OLC/4E1S-OLC_decoy_scores.csv |
4EIY-CLR | data/4E/4EIY-CLR/4EIY-CLR_ligand.pdbqt | data/4E/4EIY-CLR/4EIY-CLR_target.pdbqt | data/4E/4EIY-CLR/4EIY-CLR_decoys.pdbqt | data/4E/4EIY-CLR/4EIY-CLR_decoy_scores.csv |
4EF4-C2E | data/4E/4EF4-C2E/4EF4-C2E_ligand.pdbqt | data/4E/4EF4-C2E/4EF4-C2E_target.pdbqt | data/4E/4EF4-C2E/4EF4-C2E_decoys.pdbqt | data/4E/4EF4-C2E/4EF4-C2E_decoy_scores.csv |
4E2Y-JHZ | data/4E/4E2Y-JHZ/4E2Y-JHZ_ligand.pdbqt | data/4E/4E2Y-JHZ/4E2Y-JHZ_target.pdbqt | data/4E/4E2Y-JHZ/4E2Y-JHZ_decoys.pdbqt | data/4E/4E2Y-JHZ/4E2Y-JHZ_decoy_scores.csv |
4E1D-ADP | data/4E/4E1D-ADP/4E1D-ADP_ligand.pdbqt | data/4E/4E1D-ADP/4E1D-ADP_target.pdbqt | data/4E/4E1D-ADP/4E1D-ADP_decoys.pdbqt | data/4E/4E1D-ADP/4E1D-ADP_decoy_scores.csv |
4EN4-GT0 | data/4E/4EN4-GT0/4EN4-GT0_ligand.pdbqt | data/4E/4EN4-GT0/4EN4-GT0_target.pdbqt | data/4E/4EN4-GT0/4EN4-GT0_decoys.pdbqt | data/4E/4EN4-GT0/4EN4-GT0_decoy_scores.csv |
4EDZ-0O5 | data/4E/4EDZ-0O5/4EDZ-0O5_ligand.pdbqt | data/4E/4EDZ-0O5/4EDZ-0O5_target.pdbqt | data/4E/4EDZ-0O5/4EDZ-0O5_decoys.pdbqt | data/4E/4EDZ-0O5/4EDZ-0O5_decoy_scores.csv |
4EM7-0RA | data/4E/4EM7-0RA/4EM7-0RA_ligand.pdbqt | data/4E/4EM7-0RA/4EM7-0RA_target.pdbqt | data/4E/4EM7-0RA/4EM7-0RA_decoys.pdbqt | data/4E/4EM7-0RA/4EM7-0RA_decoy_scores.csv |
4E91-0OE | data/4E/4E91-0OE/4E91-0OE_ligand.pdbqt | data/4E/4E91-0OE/4E91-0OE_target.pdbqt | data/4E/4E91-0OE/4E91-0OE_decoys.pdbqt | data/4E/4E91-0OE/4E91-0OE_decoy_scores.csv |
4E1C-ADP | data/4E/4E1C-ADP/4E1C-ADP_ligand.pdbqt | data/4E/4E1C-ADP/4E1C-ADP_target.pdbqt | data/4E/4E1C-ADP/4E1C-ADP_decoys.pdbqt | data/4E/4E1C-ADP/4E1C-ADP_decoy_scores.csv |
4EMF-M7G | data/4E/4EMF-M7G/4EMF-M7G_ligand.pdbqt | data/4E/4EMF-M7G/4EMF-M7G_target.pdbqt | data/4E/4EMF-M7G/4EMF-M7G_decoys.pdbqt | data/4E/4EMF-M7G/4EMF-M7G_decoy_scores.csv |
4EL5-D1M | data/4E/4EL5-D1M/4EL5-D1M_ligand.pdbqt | data/4E/4EL5-D1M/4EL5-D1M_target.pdbqt | data/4E/4EL5-D1M/4EL5-D1M_decoys.pdbqt | data/4E/4EL5-D1M/4EL5-D1M_decoy_scores.csv |
4EEQ-NMN | data/4E/4EEQ-NMN/4EEQ-NMN_ligand.pdbqt | data/4E/4EEQ-NMN/4EEQ-NMN_target.pdbqt | data/4E/4EEQ-NMN/4EEQ-NMN_decoys.pdbqt | data/4E/4EEQ-NMN/4EEQ-NMN_decoy_scores.csv |
4EZC-SPL | data/4E/4EZC-SPL/4EZC-SPL_ligand.pdbqt | data/4E/4EZC-SPL/4EZC-SPL_target.pdbqt | data/4E/4EZC-SPL/4EZC-SPL_decoys.pdbqt | data/4E/4EZC-SPL/4EZC-SPL_decoy_scores.csv |
4EGO-1F1 | data/4E/4EGO-1F1/4EGO-1F1_ligand.pdbqt | data/4E/4EGO-1F1/4EGO-1F1_target.pdbqt | data/4E/4EGO-1F1/4EGO-1F1_decoys.pdbqt | data/4E/4EGO-1F1/4EGO-1F1_decoy_scores.csv |
4EPR-GDP | data/4E/4EPR-GDP/4EPR-GDP_ligand.pdbqt | data/4E/4EPR-GDP/4EPR-GDP_target.pdbqt | data/4E/4EPR-GDP/4EPR-GDP_decoys.pdbqt | data/4E/4EPR-GDP/4EPR-GDP_decoy_scores.csv |
4EQL-AMP | data/4E/4EQL-AMP/4EQL-AMP_ligand.pdbqt | data/4E/4EQL-AMP/4EQL-AMP_target.pdbqt | data/4E/4EQL-AMP/4EQL-AMP_decoys.pdbqt | data/4E/4EQL-AMP/4EQL-AMP_decoy_scores.csv |
4EB4-UMP | data/4E/4EB4-UMP/4EB4-UMP_ligand.pdbqt | data/4E/4EB4-UMP/4EB4-UMP_target.pdbqt | data/4E/4EB4-UMP/4EB4-UMP_decoys.pdbqt | data/4E/4EB4-UMP/4EB4-UMP_decoy_scores.csv |
4EPW-GDP | data/4E/4EPW-GDP/4EPW-GDP_ligand.pdbqt | data/4E/4EPW-GDP/4EPW-GDP_target.pdbqt | data/4E/4EPW-GDP/4EPW-GDP_decoys.pdbqt | data/4E/4EPW-GDP/4EPW-GDP_decoy_scores.csv |
4EF8-FMN | data/4E/4EF8-FMN/4EF8-FMN_ligand.pdbqt | data/4E/4EF8-FMN/4EF8-FMN_target.pdbqt | data/4E/4EF8-FMN/4EF8-FMN_decoys.pdbqt | data/4E/4EF8-FMN/4EF8-FMN_decoy_scores.csv |
4EB8-IM5 | data/4E/4EB8-IM5/4EB8-IM5_ligand.pdbqt | data/4E/4EB8-IM5/4EB8-IM5_target.pdbqt | data/4E/4EB8-IM5/4EB8-IM5_decoys.pdbqt | data/4E/4EB8-IM5/4EB8-IM5_decoy_scores.csv |
4EKQ-NPO | data/4E/4EKQ-NPO/4EKQ-NPO_ligand.pdbqt | data/4E/4EKQ-NPO/4EKQ-NPO_target.pdbqt | data/4E/4EKQ-NPO/4EKQ-NPO_decoys.pdbqt | data/4E/4EKQ-NPO/4EKQ-NPO_decoy_scores.csv |
4EJ7-ATP | data/4E/4EJ7-ATP/4EJ7-ATP_ligand.pdbqt | data/4E/4EJ7-ATP/4EJ7-ATP_target.pdbqt | data/4E/4EJ7-ATP/4EJ7-ATP_decoys.pdbqt | data/4E/4EJ7-ATP/4EJ7-ATP_decoy_scores.csv |
4EIL-UMP | data/4E/4EIL-UMP/4EIL-UMP_ligand.pdbqt | data/4E/4EIL-UMP/4EIL-UMP_target.pdbqt | data/4E/4EIL-UMP/4EIL-UMP_decoys.pdbqt | data/4E/4EIL-UMP/4EIL-UMP_decoy_scores.csv |
4ER3-0QK | data/4E/4ER3-0QK/4ER3-0QK_ligand.pdbqt | data/4E/4ER3-0QK/4ER3-0QK_target.pdbqt | data/4E/4ER3-0QK/4ER3-0QK_decoys.pdbqt | data/4E/4ER3-0QK/4ER3-0QK_decoy_scores.csv |
4E1O-PVH | data/4E/4E1O-PVH/4E1O-PVH_ligand.pdbqt | data/4E/4E1O-PVH/4E1O-PVH_target.pdbqt | data/4E/4E1O-PVH/4E1O-PVH_decoys.pdbqt | data/4E/4E1O-PVH/4E1O-PVH_decoy_scores.csv |
4EK8-16K | data/4E/4EK8-16K/4EK8-16K_ligand.pdbqt | data/4E/4EK8-16K/4EK8-16K_target.pdbqt | data/4E/4EK8-16K/4EK8-16K_decoys.pdbqt | data/4E/4EK8-16K/4EK8-16K_decoy_scores.csv |
4EOF-ARG | data/4E/4EOF-ARG/4EOF-ARG_ligand.pdbqt | data/4E/4EOF-ARG/4EOF-ARG_target.pdbqt | data/4E/4EOF-ARG/4EOF-ARG_decoys.pdbqt | data/4E/4EOF-ARG/4EOF-ARG_decoy_scores.csv |
4EJI-0QA | data/4E/4EJI-0QA/4EJI-0QA_ligand.pdbqt | data/4E/4EJI-0QA/4EJI-0QA_target.pdbqt | data/4E/4EJI-0QA/4EJI-0QA_decoys.pdbqt | data/4E/4EJI-0QA/4EJI-0QA_decoy_scores.csv |
4EOR-4SP | data/4E/4EOR-4SP/4EOR-4SP_ligand.pdbqt | data/4E/4EOR-4SP/4EOR-4SP_target.pdbqt | data/4E/4EOR-4SP/4EOR-4SP_decoys.pdbqt | data/4E/4EOR-4SP/4EOR-4SP_decoy_scores.csv |
4EE1-BEN | data/4E/4EE1-BEN/4EE1-BEN_ligand.pdbqt | data/4E/4EE1-BEN/4EE1-BEN_target.pdbqt | data/4E/4EE1-BEN/4EE1-BEN_decoys.pdbqt | data/4E/4EE1-BEN/4EE1-BEN_decoy_scores.csv |
4EWH-T77 | data/4E/4EWH-T77/4EWH-T77_ligand.pdbqt | data/4E/4EWH-T77/4EWH-T77_target.pdbqt | data/4E/4EWH-T77/4EWH-T77_decoys.pdbqt | data/4E/4EWH-T77/4EWH-T77_decoy_scores.csv |
4E7R-0NW | data/4E/4E7R-0NW/4E7R-0NW_ligand.pdbqt | data/4E/4E7R-0NW/4E7R-0NW_target.pdbqt | data/4E/4E7R-0NW/4E7R-0NW_decoys.pdbqt | data/4E/4E7R-0NW/4E7R-0NW_decoy_scores.csv |
4E2W-SAH | data/4E/4E2W-SAH/4E2W-SAH_ligand.pdbqt | data/4E/4E2W-SAH/4E2W-SAH_target.pdbqt | data/4E/4E2W-SAH/4E2W-SAH_decoys.pdbqt | data/4E/4E2W-SAH/4E2W-SAH_decoy_scores.csv |
4EE1-CTP | data/4E/4EE1-CTP/4EE1-CTP_ligand.pdbqt | data/4E/4EE1-CTP/4EE1-CTP_target.pdbqt | data/4E/4EE1-CTP/4EE1-CTP_decoys.pdbqt | data/4E/4EE1-CTP/4EE1-CTP_decoy_scores.csv |
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