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 ⌀ |
|---|---|---|---|---|
3EI5-PGU | data/3E/3EI5-PGU/3EI5-PGU_ligand.pdbqt | data/3E/3EI5-PGU/3EI5-PGU_target.pdbqt | data/3E/3EI5-PGU/3EI5-PGU_decoys.pdbqt | data/3E/3EI5-PGU/3EI5-PGU_decoy_scores.csv |
3ENK-UPG | data/3E/3ENK-UPG/3ENK-UPG_ligand.pdbqt | data/3E/3ENK-UPG/3ENK-UPG_target.pdbqt | data/3E/3ENK-UPG/3ENK-UPG_decoys.pdbqt | data/3E/3ENK-UPG/3ENK-UPG_decoy_scores.csv |
3EHH-ADP | data/3E/3EHH-ADP/3EHH-ADP_ligand.pdbqt | data/3E/3EHH-ADP/3EHH-ADP_target.pdbqt | data/3E/3EHH-ADP/3EHH-ADP_decoys.pdbqt | data/3E/3EHH-ADP/3EHH-ADP_decoy_scores.csv |
3E0B-N22 | data/3E/3E0B-N22/3E0B-N22_ligand.pdbqt | data/3E/3E0B-N22/3E0B-N22_target.pdbqt | data/3E/3E0B-N22/3E0B-N22_decoys.pdbqt | data/3E/3E0B-N22/3E0B-N22_decoy_scores.csv |
3EBP-CPB | data/3E/3EBP-CPB/3EBP-CPB_ligand.pdbqt | data/3E/3EBP-CPB/3EBP-CPB_target.pdbqt | data/3E/3EBP-CPB/3EBP-CPB_decoys.pdbqt | data/3E/3EBP-CPB/3EBP-CPB_decoy_scores.csv |
3ETR-LUZ | data/3E/3ETR-LUZ/3ETR-LUZ_ligand.pdbqt | data/3E/3ETR-LUZ/3ETR-LUZ_target.pdbqt | null | null |
3EVQ-THP | data/3E/3EVQ-THP/3EVQ-THP_ligand.pdbqt | data/3E/3EVQ-THP/3EVQ-THP_target.pdbqt | data/3E/3EVQ-THP/3EVQ-THP_decoys.pdbqt | data/3E/3EVQ-THP/3EVQ-THP_decoy_scores.csv |
3E12-KD0 | data/3E/3E12-KD0/3E12-KD0_ligand.pdbqt | data/3E/3E12-KD0/3E12-KD0_target.pdbqt | data/3E/3E12-KD0/3E12-KD0_decoys.pdbqt | data/3E/3E12-KD0/3E12-KD0_decoy_scores.csv |
3EBZ-017 | data/3E/3EBZ-017/3EBZ-017_ligand.pdbqt | data/3E/3EBZ-017/3EBZ-017_target.pdbqt | data/3E/3EBZ-017/3EBZ-017_decoys.pdbqt | data/3E/3EBZ-017/3EBZ-017_decoy_scores.csv |
3EWJ-642 | data/3E/3EWJ-642/3EWJ-642_ligand.pdbqt | data/3E/3EWJ-642/3EWJ-642_target.pdbqt | data/3E/3EWJ-642/3EWJ-642_decoys.pdbqt | data/3E/3EWJ-642/3EWJ-642_decoy_scores.csv |
3EVF-SAH | data/3E/3EVF-SAH/3EVF-SAH_ligand.pdbqt | data/3E/3EVF-SAH/3EVF-SAH_target.pdbqt | data/3E/3EVF-SAH/3EVF-SAH_decoys.pdbqt | data/3E/3EVF-SAH/3EVF-SAH_decoy_scores.csv |
3E2T-TRP | data/3E/3E2T-TRP/3E2T-TRP_ligand.pdbqt | data/3E/3E2T-TRP/3E2T-TRP_target.pdbqt | data/3E/3E2T-TRP/3E2T-TRP_decoys.pdbqt | data/3E/3E2T-TRP/3E2T-TRP_decoy_scores.csv |
3EEX-P6G | data/3E/3EEX-P6G/3EEX-P6G_ligand.pdbqt | data/3E/3EEX-P6G/3EEX-P6G_target.pdbqt | data/3E/3EEX-P6G/3EEX-P6G_decoys.pdbqt | data/3E/3EEX-P6G/3EEX-P6G_decoy_scores.csv |
3E8N-ATP | data/3E/3E8N-ATP/3E8N-ATP_ligand.pdbqt | data/3E/3E8N-ATP/3E8N-ATP_target.pdbqt | data/3E/3E8N-ATP/3E8N-ATP_decoys.pdbqt | data/3E/3E8N-ATP/3E8N-ATP_decoy_scores.csv |
3ETM-CDP | data/3E/3ETM-CDP/3ETM-CDP_ligand.pdbqt | data/3E/3ETM-CDP/3ETM-CDP_target.pdbqt | data/3E/3ETM-CDP/3ETM-CDP_decoys.pdbqt | data/3E/3ETM-CDP/3ETM-CDP_decoy_scores.csv |
3ELJ-GS7 | data/3E/3ELJ-GS7/3ELJ-GS7_ligand.pdbqt | data/3E/3ELJ-GS7/3ELJ-GS7_target.pdbqt | data/3E/3ELJ-GS7/3ELJ-GS7_decoys.pdbqt | data/3E/3ELJ-GS7/3ELJ-GS7_decoy_scores.csv |
3ELA-GLC | data/3E/3ELA-GLC/3ELA-GLC_ligand.pdbqt | data/3E/3ELA-GLC/3ELA-GLC_target.pdbqt | data/3E/3ELA-GLC/3ELA-GLC_decoys.pdbqt | data/3E/3ELA-GLC/3ELA-GLC_decoy_scores.csv |
3EJP-HN2 | data/3E/3EJP-HN2/3EJP-HN2_ligand.pdbqt | data/3E/3EJP-HN2/3EJP-HN2_target.pdbqt | data/3E/3EJP-HN2/3EJP-HN2_decoys.pdbqt | data/3E/3EJP-HN2/3EJP-HN2_decoy_scores.csv |
3ERN-GPP | data/3E/3ERN-GPP/3ERN-GPP_ligand.pdbqt | data/3E/3ERN-GPP/3ERN-GPP_target.pdbqt | data/3E/3ERN-GPP/3ERN-GPP_decoys.pdbqt | data/3E/3ERN-GPP/3ERN-GPP_decoy_scores.csv |
3ERK-SB4 | data/3E/3ERK-SB4/3ERK-SB4_ligand.pdbqt | data/3E/3ERK-SB4/3ERK-SB4_target.pdbqt | data/3E/3ERK-SB4/3ERK-SB4_decoys.pdbqt | data/3E/3ERK-SB4/3ERK-SB4_decoy_scores.csv |
3E70-GDP | data/3E/3E70-GDP/3E70-GDP_ligand.pdbqt | data/3E/3E70-GDP/3E70-GDP_target.pdbqt | data/3E/3E70-GDP/3E70-GDP_decoys.pdbqt | data/3E/3E70-GDP/3E70-GDP_decoy_scores.csv |
3E7W-AMP | data/3E/3E7W-AMP/3E7W-AMP_ligand.pdbqt | data/3E/3E7W-AMP/3E7W-AMP_target.pdbqt | data/3E/3E7W-AMP/3E7W-AMP_decoys.pdbqt | data/3E/3E7W-AMP/3E7W-AMP_decoy_scores.csv |
3E64-5B3 | data/3E/3E64-5B3/3E64-5B3_ligand.pdbqt | data/3E/3E64-5B3/3E64-5B3_target.pdbqt | data/3E/3E64-5B3/3E64-5B3_decoys.pdbqt | data/3E/3E64-5B3/3E64-5B3_decoy_scores.csv |
3EKD-PAM | data/3E/3EKD-PAM/3EKD-PAM_ligand.pdbqt | data/3E/3EKD-PAM/3EKD-PAM_target.pdbqt | data/3E/3EKD-PAM/3EKD-PAM_decoys.pdbqt | data/3E/3EKD-PAM/3EKD-PAM_decoy_scores.csv |
3EQ0-2TS | data/3E/3EQ0-2TS/3EQ0-2TS_ligand.pdbqt | data/3E/3EQ0-2TS/3EQ0-2TS_target.pdbqt | data/3E/3EQ0-2TS/3EQ0-2TS_decoys.pdbqt | data/3E/3EQ0-2TS/3EQ0-2TS_decoy_scores.csv |
3E9Z-6GU | data/3E/3E9Z-6GU/3E9Z-6GU_ligand.pdbqt | data/3E/3E9Z-6GU/3E9Z-6GU_target.pdbqt | data/3E/3E9Z-6GU/3E9Z-6GU_decoys.pdbqt | data/3E/3E9Z-6GU/3E9Z-6GU_decoy_scores.csv |
3EGI-ADP | data/3E/3EGI-ADP/3EGI-ADP_ligand.pdbqt | data/3E/3EGI-ADP/3EGI-ADP_target.pdbqt | data/3E/3EGI-ADP/3EGI-ADP_decoys.pdbqt | data/3E/3EGI-ADP/3EGI-ADP_decoy_scores.csv |
3EHX-BDL | data/3E/3EHX-BDL/3EHX-BDL_ligand.pdbqt | data/3E/3EHX-BDL/3EHX-BDL_target.pdbqt | data/3E/3EHX-BDL/3EHX-BDL_decoys.pdbqt | data/3E/3EHX-BDL/3EHX-BDL_decoy_scores.csv |
3E3C-HHG | data/3E/3E3C-HHG/3E3C-HHG_ligand.pdbqt | data/3E/3E3C-HHG/3E3C-HHG_target.pdbqt | data/3E/3E3C-HHG/3E3C-HHG_decoys.pdbqt | data/3E/3E3C-HHG/3E3C-HHG_decoy_scores.csv |
3EO8-FMN | data/3E/3EO8-FMN/3EO8-FMN_ligand.pdbqt | data/3E/3EO8-FMN/3EO8-FMN_target.pdbqt | data/3E/3EO8-FMN/3EO8-FMN_decoys.pdbqt | data/3E/3EO8-FMN/3EO8-FMN_decoy_scores.csv |
3ELA-FUC | data/3E/3ELA-FUC/3ELA-FUC_ligand.pdbqt | data/3E/3ELA-FUC/3ELA-FUC_target.pdbqt | data/3E/3ELA-FUC/3ELA-FUC_decoys.pdbqt | data/3E/3ELA-FUC/3ELA-FUC_decoy_scores.csv |
3EKV-478 | data/3E/3EKV-478/3EKV-478_ligand.pdbqt | data/3E/3EKV-478/3EKV-478_target.pdbqt | data/3E/3EKV-478/3EKV-478_decoys.pdbqt | data/3E/3EKV-478/3EKV-478_decoy_scores.csv |
3EQG-4BM | data/3E/3EQG-4BM/3EQG-4BM_ligand.pdbqt | data/3E/3EQG-4BM/3EQG-4BM_target.pdbqt | data/3E/3EQG-4BM/3EQG-4BM_decoys.pdbqt | data/3E/3EQG-4BM/3EQG-4BM_decoy_scores.csv |
3E9I-XAH | data/3E/3E9I-XAH/3E9I-XAH_ligand.pdbqt | data/3E/3E9I-XAH/3E9I-XAH_target.pdbqt | data/3E/3E9I-XAH/3E9I-XAH_decoys.pdbqt | data/3E/3E9I-XAH/3E9I-XAH_decoy_scores.csv |
3EBI-BEY | data/3E/3EBI-BEY/3EBI-BEY_ligand.pdbqt | data/3E/3EBI-BEY/3EBI-BEY_target.pdbqt | data/3E/3EBI-BEY/3EBI-BEY_decoys.pdbqt | data/3E/3EBI-BEY/3EBI-BEY_decoy_scores.csv |
3EWZ-CNU | data/3E/3EWZ-CNU/3EWZ-CNU_ligand.pdbqt | data/3E/3EWZ-CNU/3EWZ-CNU_target.pdbqt | data/3E/3EWZ-CNU/3EWZ-CNU_decoys.pdbqt | data/3E/3EWZ-CNU/3EWZ-CNU_decoy_scores.csv |
3EHA-ANP | data/3E/3EHA-ANP/3EHA-ANP_ligand.pdbqt | data/3E/3EHA-ANP/3EHA-ANP_target.pdbqt | data/3E/3EHA-ANP/3EHA-ANP_decoys.pdbqt | data/3E/3EHA-ANP/3EHA-ANP_decoy_scores.csv |
3E32-FPP | data/3E/3E32-FPP/3E32-FPP_ligand.pdbqt | data/3E/3E32-FPP/3E32-FPP_target.pdbqt | data/3E/3E32-FPP/3E32-FPP_decoys.pdbqt | data/3E/3E32-FPP/3E32-FPP_decoy_scores.csv |
3EGL-PLM | data/3E/3EGL-PLM/3EGL-PLM_ligand.pdbqt | data/3E/3EGL-PLM/3EGL-PLM_target.pdbqt | data/3E/3EGL-PLM/3EGL-PLM_decoys.pdbqt | data/3E/3EGL-PLM/3EGL-PLM_decoy_scores.csv |
3EC7-NAD | data/3E/3EC7-NAD/3EC7-NAD_ligand.pdbqt | data/3E/3EC7-NAD/3EC7-NAD_target.pdbqt | data/3E/3EC7-NAD/3EC7-NAD_decoys.pdbqt | data/3E/3EC7-NAD/3EC7-NAD_decoy_scores.csv |
3E0I-PEP | data/3E/3E0I-PEP/3E0I-PEP_ligand.pdbqt | data/3E/3E0I-PEP/3E0I-PEP_target.pdbqt | data/3E/3E0I-PEP/3E0I-PEP_decoys.pdbqt | data/3E/3E0I-PEP/3E0I-PEP_decoy_scores.csv |
3EP7-SMM | data/3E/3EP7-SMM/3EP7-SMM_ligand.pdbqt | data/3E/3EP7-SMM/3EP7-SMM_target.pdbqt | data/3E/3EP7-SMM/3EP7-SMM_decoys.pdbqt | data/3E/3EP7-SMM/3EP7-SMM_decoy_scores.csv |
3E7M-AT2 | data/3E/3E7M-AT2/3E7M-AT2_ligand.pdbqt | data/3E/3E7M-AT2/3E7M-AT2_target.pdbqt | data/3E/3E7M-AT2/3E7M-AT2_decoys.pdbqt | data/3E/3E7M-AT2/3E7M-AT2_decoy_scores.csv |
3EBD-329 | data/3E/3EBD-329/3EBD-329_ligand.pdbqt | data/3E/3EBD-329/3EBD-329_target.pdbqt | data/3E/3EBD-329/3EBD-329_decoys.pdbqt | data/3E/3EBD-329/3EBD-329_decoy_scores.csv |
3E33-FPP | data/3E/3E33-FPP/3E33-FPP_ligand.pdbqt | data/3E/3E33-FPP/3E33-FPP_target.pdbqt | data/3E/3E33-FPP/3E33-FPP_decoys.pdbqt | data/3E/3E33-FPP/3E33-FPP_decoy_scores.csv |
3EX1-6CN | data/3E/3EX1-6CN/3EX1-6CN_ligand.pdbqt | data/3E/3EX1-6CN/3EX1-6CN_target.pdbqt | data/3E/3EX1-6CN/3EX1-6CN_decoys.pdbqt | data/3E/3EX1-6CN/3EX1-6CN_decoy_scores.csv |
3ELY-SAH | data/3E/3ELY-SAH/3ELY-SAH_ligand.pdbqt | data/3E/3ELY-SAH/3ELY-SAH_target.pdbqt | data/3E/3ELY-SAH/3ELY-SAH_decoys.pdbqt | data/3E/3ELY-SAH/3ELY-SAH_decoy_scores.csv |
3EWF-MCM | data/3E/3EWF-MCM/3EWF-MCM_ligand.pdbqt | data/3E/3EWF-MCM/3EWF-MCM_target.pdbqt | data/3E/3EWF-MCM/3EWF-MCM_decoys.pdbqt | data/3E/3EWF-MCM/3EWF-MCM_decoy_scores.csv |
3EDZ-INN | data/3E/3EDZ-INN/3EDZ-INN_ligand.pdbqt | data/3E/3EDZ-INN/3EDZ-INN_target.pdbqt | data/3E/3EDZ-INN/3EDZ-INN_decoys.pdbqt | data/3E/3EDZ-INN/3EDZ-INN_decoy_scores.csv |
3ETD-GLU | data/3E/3ETD-GLU/3ETD-GLU_ligand.pdbqt | data/3E/3ETD-GLU/3ETD-GLU_target.pdbqt | data/3E/3ETD-GLU/3ETD-GLU_decoys.pdbqt | data/3E/3ETD-GLU/3ETD-GLU_decoy_scores.csv |
3E79-I3C | data/3E/3E79-I3C/3E79-I3C_ligand.pdbqt | data/3E/3E79-I3C/3E79-I3C_target.pdbqt | data/3E/3E79-I3C/3E79-I3C_decoys.pdbqt | data/3E/3E79-I3C/3E79-I3C_decoy_scores.csv |
3EKU-ATP | data/3E/3EKU-ATP/3EKU-ATP_ligand.pdbqt | data/3E/3EKU-ATP/3EKU-ATP_target.pdbqt | data/3E/3EKU-ATP/3EKU-ATP_decoys.pdbqt | data/3E/3EKU-ATP/3EKU-ATP_decoy_scores.csv |
3ESY-FMN | data/3E/3ESY-FMN/3ESY-FMN_ligand.pdbqt | data/3E/3ESY-FMN/3ESY-FMN_target.pdbqt | data/3E/3ESY-FMN/3ESY-FMN_decoys.pdbqt | data/3E/3ESY-FMN/3ESY-FMN_decoy_scores.csv |
3EHB-LDA | data/3E/3EHB-LDA/3EHB-LDA_ligand.pdbqt | data/3E/3EHB-LDA/3EHB-LDA_target.pdbqt | data/3E/3EHB-LDA/3EHB-LDA_decoys.pdbqt | data/3E/3EHB-LDA/3EHB-LDA_decoy_scores.csv |
3EQD-AGS | data/3E/3EQD-AGS/3EQD-AGS_ligand.pdbqt | data/3E/3EQD-AGS/3EQD-AGS_target.pdbqt | data/3E/3EQD-AGS/3EQD-AGS_decoys.pdbqt | data/3E/3EQD-AGS/3EQD-AGS_decoy_scores.csv |
3ENK-NAD | data/3E/3ENK-NAD/3ENK-NAD_ligand.pdbqt | data/3E/3ENK-NAD/3ENK-NAD_target.pdbqt | data/3E/3ENK-NAD/3ENK-NAD_decoys.pdbqt | data/3E/3ENK-NAD/3ENK-NAD_decoy_scores.csv |
3ETD-GTP | data/3E/3ETD-GTP/3ETD-GTP_ligand.pdbqt | data/3E/3ETD-GTP/3ETD-GTP_target.pdbqt | data/3E/3ETD-GTP/3ETD-GTP_decoys.pdbqt | data/3E/3ETD-GTP/3ETD-GTP_decoy_scores.csv |
3E33-ED7 | data/3E/3E33-ED7/3E33-ED7_ligand.pdbqt | data/3E/3E33-ED7/3E33-ED7_target.pdbqt | data/3E/3E33-ED7/3E33-ED7_decoys.pdbqt | data/3E/3E33-ED7/3E33-ED7_decoy_scores.csv |
3EX3-U5P | data/3E/3EX3-U5P/3EX3-U5P_ligand.pdbqt | data/3E/3EX3-U5P/3EX3-U5P_target.pdbqt | data/3E/3EX3-U5P/3EX3-U5P_decoys.pdbqt | data/3E/3EX3-U5P/3EX3-U5P_decoy_scores.csv |
3ELD-SFG | data/3E/3ELD-SFG/3ELD-SFG_ligand.pdbqt | data/3E/3ELD-SFG/3ELD-SFG_target.pdbqt | data/3E/3ELD-SFG/3ELD-SFG_decoys.pdbqt | data/3E/3ELD-SFG/3ELD-SFG_decoy_scores.csv |
3EPZ-BGC | data/3E/3EPZ-BGC/3EPZ-BGC_ligand.pdbqt | data/3E/3EPZ-BGC/3EPZ-BGC_target.pdbqt | data/3E/3EPZ-BGC/3EPZ-BGC_decoys.pdbqt | data/3E/3EPZ-BGC/3EPZ-BGC_decoy_scores.csv |
3EYW-FMN | data/3E/3EYW-FMN/3EYW-FMN_ligand.pdbqt | data/3E/3EYW-FMN/3EYW-FMN_target.pdbqt | data/3E/3EYW-FMN/3EYW-FMN_decoys.pdbqt | data/3E/3EYW-FMN/3EYW-FMN_decoy_scores.csv |
3EGV-SAH | data/3E/3EGV-SAH/3EGV-SAH_ligand.pdbqt | data/3E/3EGV-SAH/3EGV-SAH_target.pdbqt | data/3E/3EGV-SAH/3EGV-SAH_decoys.pdbqt | data/3E/3EGV-SAH/3EGV-SAH_decoy_scores.csv |
3EC0-GRL | data/3E/3EC0-GRL/3EC0-GRL_ligand.pdbqt | data/3E/3EC0-GRL/3EC0-GRL_target.pdbqt | data/3E/3EC0-GRL/3EC0-GRL_decoys.pdbqt | data/3E/3EC0-GRL/3EC0-GRL_decoy_scores.csv |
3EBS-N4E | data/3E/3EBS-N4E/3EBS-N4E_ligand.pdbqt | data/3E/3EBS-N4E/3EBS-N4E_target.pdbqt | data/3E/3EBS-N4E/3EBS-N4E_decoys.pdbqt | data/3E/3EBS-N4E/3EBS-N4E_decoy_scores.csv |
3EFI-TRP | data/3E/3EFI-TRP/3EFI-TRP_ligand.pdbqt | data/3E/3EFI-TRP/3EFI-TRP_target.pdbqt | data/3E/3EFI-TRP/3EFI-TRP_decoys.pdbqt | data/3E/3EFI-TRP/3EFI-TRP_decoy_scores.csv |
3ETG-GTP | data/3E/3ETG-GTP/3ETG-GTP_ligand.pdbqt | data/3E/3ETG-GTP/3ETG-GTP_target.pdbqt | data/3E/3ETG-GTP/3ETG-GTP_decoys.pdbqt | data/3E/3ETG-GTP/3ETG-GTP_decoy_scores.csv |
3EKL-13P | data/3E/3EKL-13P/3EKL-13P_ligand.pdbqt | data/3E/3EKL-13P/3EKL-13P_target.pdbqt | data/3E/3EKL-13P/3EKL-13P_decoys.pdbqt | data/3E/3EKL-13P/3EKL-13P_decoy_scores.csv |
3EBH-BES | data/3E/3EBH-BES/3EBH-BES_ligand.pdbqt | data/3E/3EBH-BES/3EBH-BES_target.pdbqt | data/3E/3EBH-BES/3EBH-BES_decoys.pdbqt | data/3E/3EBH-BES/3EBH-BES_decoy_scores.csv |
3EPW-JMQ | data/3E/3EPW-JMQ/3EPW-JMQ_ligand.pdbqt | data/3E/3EPW-JMQ/3EPW-JMQ_target.pdbqt | data/3E/3EPW-JMQ/3EPW-JMQ_decoys.pdbqt | data/3E/3EPW-JMQ/3EPW-JMQ_decoy_scores.csv |
3EC1-GDP | data/3E/3EC1-GDP/3EC1-GDP_ligand.pdbqt | data/3E/3EC1-GDP/3EC1-GDP_target.pdbqt | data/3E/3EC1-GDP/3EC1-GDP_decoys.pdbqt | data/3E/3EC1-GDP/3EC1-GDP_decoy_scores.csv |
3E2Y-GLN | data/3E/3E2Y-GLN/3E2Y-GLN_ligand.pdbqt | data/3E/3E2Y-GLN/3E2Y-GLN_target.pdbqt | data/3E/3E2Y-GLN/3E2Y-GLN_decoys.pdbqt | data/3E/3E2Y-GLN/3E2Y-GLN_decoy_scores.csv |
3ECR-DPM | data/3E/3ECR-DPM/3ECR-DPM_ligand.pdbqt | data/3E/3ECR-DPM/3ECR-DPM_target.pdbqt | data/3E/3ECR-DPM/3ECR-DPM_decoys.pdbqt | data/3E/3ECR-DPM/3ECR-DPM_decoy_scores.csv |
3ETS-4MU | data/3E/3ETS-4MU/3ETS-4MU_ligand.pdbqt | data/3E/3ETS-4MU/3ETS-4MU_target.pdbqt | data/3E/3ETS-4MU/3ETS-4MU_decoys.pdbqt | data/3E/3ETS-4MU/3ETS-4MU_decoy_scores.csv |
3E9S-TTT | data/3E/3E9S-TTT/3E9S-TTT_ligand.pdbqt | data/3E/3E9S-TTT/3E9S-TTT_target.pdbqt | data/3E/3E9S-TTT/3E9S-TTT_decoys.pdbqt | data/3E/3E9S-TTT/3E9S-TTT_decoy_scores.csv |
3EWP-APR | data/3E/3EWP-APR/3EWP-APR_ligand.pdbqt | data/3E/3EWP-APR/3EWP-APR_target.pdbqt | data/3E/3EWP-APR/3EWP-APR_decoys.pdbqt | data/3E/3EWP-APR/3EWP-APR_decoy_scores.csv |
3EW2-BTN | data/3E/3EW2-BTN/3EW2-BTN_ligand.pdbqt | data/3E/3EW2-BTN/3EW2-BTN_target.pdbqt | data/3E/3EW2-BTN/3EW2-BTN_decoys.pdbqt | data/3E/3EW2-BTN/3EW2-BTN_decoy_scores.csv |
3E16-B4C | data/3E/3E16-B4C/3E16-B4C_ligand.pdbqt | data/3E/3E16-B4C/3E16-B4C_target.pdbqt | data/3E/3E16-B4C/3E16-B4C_decoys.pdbqt | data/3E/3E16-B4C/3E16-B4C_decoy_scores.csv |
3E65-H4B | data/3E/3E65-H4B/3E65-H4B_ligand.pdbqt | data/3E/3E65-H4B/3E65-H4B_target.pdbqt | data/3E/3E65-H4B/3E65-H4B_decoys.pdbqt | data/3E/3E65-H4B/3E65-H4B_decoy_scores.csv |
3EB9-FLC | data/3E/3EB9-FLC/3EB9-FLC_ligand.pdbqt | data/3E/3EB9-FLC/3EB9-FLC_target.pdbqt | data/3E/3EB9-FLC/3EB9-FLC_decoys.pdbqt | data/3E/3EB9-FLC/3EB9-FLC_decoy_scores.csv |
3EOF-FMN | data/3E/3EOF-FMN/3EOF-FMN_ligand.pdbqt | data/3E/3EOF-FMN/3EOF-FMN_target.pdbqt | data/3E/3EOF-FMN/3EOF-FMN_decoys.pdbqt | data/3E/3EOF-FMN/3EOF-FMN_decoy_scores.csv |
3EKS-CY9 | data/3E/3EKS-CY9/3EKS-CY9_ligand.pdbqt | data/3E/3EKS-CY9/3EKS-CY9_target.pdbqt | data/3E/3EKS-CY9/3EKS-CY9_decoys.pdbqt | data/3E/3EKS-CY9/3EKS-CY9_decoy_scores.csv |
3ED0-EMO | data/3E/3ED0-EMO/3ED0-EMO_ligand.pdbqt | data/3E/3ED0-EMO/3ED0-EMO_target.pdbqt | data/3E/3ED0-EMO/3ED0-EMO_decoys.pdbqt | data/3E/3ED0-EMO/3ED0-EMO_decoy_scores.csv |
3ELC-F01 | data/3E/3ELC-F01/3ELC-F01_ligand.pdbqt | data/3E/3ELC-F01/3ELC-F01_target.pdbqt | data/3E/3ELC-F01/3ELC-F01_decoys.pdbqt | data/3E/3ELC-F01/3ELC-F01_decoy_scores.csv |
3EXS-5RP | data/3E/3EXS-5RP/3EXS-5RP_ligand.pdbqt | data/3E/3EXS-5RP/3EXS-5RP_target.pdbqt | data/3E/3EXS-5RP/3EXS-5RP_decoys.pdbqt | data/3E/3EXS-5RP/3EXS-5RP_decoy_scores.csv |
3EEI-MTM | data/3E/3EEI-MTM/3EEI-MTM_ligand.pdbqt | data/3E/3EEI-MTM/3EEI-MTM_target.pdbqt | data/3E/3EEI-MTM/3EEI-MTM_decoys.pdbqt | data/3E/3EEI-MTM/3EEI-MTM_decoy_scores.csv |
3EP8-SMM | data/3E/3EP8-SMM/3EP8-SMM_ligand.pdbqt | data/3E/3EP8-SMM/3EP8-SMM_target.pdbqt | data/3E/3EP8-SMM/3EP8-SMM_decoys.pdbqt | data/3E/3EP8-SMM/3EP8-SMM_decoy_scores.csv |
3E81-SLB | data/3E/3E81-SLB/3E81-SLB_ligand.pdbqt | data/3E/3E81-SLB/3E81-SLB_target.pdbqt | null | null |
3EQR-T74 | data/3E/3EQR-T74/3EQR-T74_ligand.pdbqt | data/3E/3EQR-T74/3EQR-T74_target.pdbqt | data/3E/3EQR-T74/3EQR-T74_decoys.pdbqt | data/3E/3EQR-T74/3EQR-T74_decoy_scores.csv |
3EKS-ATP | data/3E/3EKS-ATP/3EKS-ATP_ligand.pdbqt | data/3E/3EKS-ATP/3EKS-ATP_target.pdbqt | data/3E/3EKS-ATP/3EKS-ATP_decoys.pdbqt | data/3E/3EKS-ATP/3EKS-ATP_decoy_scores.csv |
3ECN-IBM | data/3E/3ECN-IBM/3ECN-IBM_ligand.pdbqt | data/3E/3ECN-IBM/3ECN-IBM_target.pdbqt | data/3E/3ECN-IBM/3ECN-IBM_decoys.pdbqt | data/3E/3ECN-IBM/3ECN-IBM_decoy_scores.csv |
3EX1-U5P | data/3E/3EX1-U5P/3EX1-U5P_ligand.pdbqt | data/3E/3EX1-U5P/3EX1-U5P_target.pdbqt | data/3E/3EX1-U5P/3EX1-U5P_decoys.pdbqt | data/3E/3EX1-U5P/3EX1-U5P_decoy_scores.csv |
3ETG-GLU | data/3E/3ETG-GLU/3ETG-GLU_ligand.pdbqt | data/3E/3ETG-GLU/3ETG-GLU_target.pdbqt | data/3E/3ETG-GLU/3ETG-GLU_decoys.pdbqt | data/3E/3ETG-GLU/3ETG-GLU_decoy_scores.csv |
3EJQ-HN3 | data/3E/3EJQ-HN3/3EJQ-HN3_ligand.pdbqt | data/3E/3EJQ-HN3/3EJQ-HN3_target.pdbqt | data/3E/3EJQ-HN3/3EJQ-HN3_decoys.pdbqt | data/3E/3EJQ-HN3/3EJQ-HN3_decoy_scores.csv |
3ET3-ET1 | data/3E/3ET3-ET1/3ET3-ET1_ligand.pdbqt | data/3E/3ET3-ET1/3ET3-ET1_target.pdbqt | data/3E/3ET3-ET1/3ET3-ET1_decoys.pdbqt | data/3E/3ET3-ET1/3ET3-ET1_decoy_scores.csv |
3EL0-1UN | data/3E/3EL0-1UN/3EL0-1UN_ligand.pdbqt | data/3E/3EL0-1UN/3EL0-1UN_target.pdbqt | data/3E/3EL0-1UN/3EL0-1UN_decoys.pdbqt | data/3E/3EL0-1UN/3EL0-1UN_decoy_scores.csv |
3E65-XXZ | data/3E/3E65-XXZ/3E65-XXZ_ligand.pdbqt | data/3E/3E65-XXZ/3E65-XXZ_target.pdbqt | data/3E/3E65-XXZ/3E65-XXZ_decoys.pdbqt | data/3E/3E65-XXZ/3E65-XXZ_decoy_scores.csv |
3EWR-APR | data/3E/3EWR-APR/3EWR-APR_ligand.pdbqt | data/3E/3EWR-APR/3EWR-APR_target.pdbqt | data/3E/3EWR-APR/3EWR-APR_decoys.pdbqt | data/3E/3EWR-APR/3EWR-APR_decoy_scores.csv |
3EMS-ARG | data/3E/3EMS-ARG/3EMS-ARG_ligand.pdbqt | data/3E/3EMS-ARG/3EMS-ARG_target.pdbqt | data/3E/3EMS-ARG/3EMS-ARG_decoys.pdbqt | data/3E/3EMS-ARG/3EMS-ARG_decoy_scores.csv |
3EEJ-53R | data/3E/3EEJ-53R/3EEJ-53R_ligand.pdbqt | data/3E/3EEJ-53R/3EEJ-53R_target.pdbqt | data/3E/3EEJ-53R/3EEJ-53R_decoys.pdbqt | data/3E/3EEJ-53R/3EEJ-53R_decoy_scores.csv |
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