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 ⌀ |
|---|---|---|---|---|
8DCU-NDG | data/8D/8DCU-NDG/8DCU-NDG_ligand.pdbqt | data/8D/8DCU-NDG/8DCU-NDG_target.pdbqt | data/8D/8DCU-NDG/8DCU-NDG_decoys.pdbqt | data/8D/8DCU-NDG/8DCU-NDG_decoy_scores.csv |
8DJC-UAU | data/8D/8DJC-UAU/8DJC-UAU_ligand.pdbqt | data/8D/8DJC-UAU/8DJC-UAU_target.pdbqt | data/8D/8DJC-UAU/8DJC-UAU_decoys.pdbqt | data/8D/8DJC-UAU/8DJC-UAU_decoy_scores.csv |
8DL4-BGC | data/8D/8DL4-BGC/8DL4-BGC_ligand.pdbqt | data/8D/8DL4-BGC/8DL4-BGC_target.pdbqt | data/8D/8DL4-BGC/8DL4-BGC_decoys.pdbqt | data/8D/8DL4-BGC/8DL4-BGC_decoy_scores.csv |
8DBO-ADP | data/8D/8DBO-ADP/8DBO-ADP_ligand.pdbqt | data/8D/8DBO-ADP/8DBO-ADP_target.pdbqt | data/8D/8DBO-ADP/8DBO-ADP_decoys.pdbqt | data/8D/8DBO-ADP/8DBO-ADP_decoy_scores.csv |
8D1H-MC3 | data/8D/8D1H-MC3/8D1H-MC3_ligand.pdbqt | data/8D/8D1H-MC3/8D1H-MC3_target.pdbqt | data/8D/8D1H-MC3/8D1H-MC3_decoys.pdbqt | data/8D/8D1H-MC3/8D1H-MC3_decoy_scores.csv |
8DBK-ATP | data/8D/8DBK-ATP/8DBK-ATP_ligand.pdbqt | data/8D/8DBK-ATP/8DBK-ATP_target.pdbqt | data/8D/8DBK-ATP/8DBK-ATP_decoys.pdbqt | data/8D/8DBK-ATP/8DBK-ATP_decoy_scores.csv |
8DZA-4WI | data/8D/8DZA-4WI/8DZA-4WI_ligand.pdbqt | data/8D/8DZA-4WI/8DZA-4WI_target.pdbqt | data/8D/8DZA-4WI/8DZA-4WI_decoys.pdbqt | data/8D/8DZA-4WI/8DZA-4WI_decoy_scores.csv |
8DZO-G4P | data/8D/8DZO-G4P/8DZO-G4P_ligand.pdbqt | data/8D/8DZO-G4P/8DZO-G4P_target.pdbqt | data/8D/8DZO-G4P/8DZO-G4P_decoys.pdbqt | data/8D/8DZO-G4P/8DZO-G4P_decoy_scores.csv |
8DB7-R2O | data/8D/8DB7-R2O/8DB7-R2O_ligand.pdbqt | data/8D/8DB7-R2O/8DB7-R2O_target.pdbqt | data/8D/8DB7-R2O/8DB7-R2O_decoys.pdbqt | data/8D/8DB7-R2O/8DB7-R2O_decoy_scores.csv |
8DOR-FMN | data/8D/8DOR-FMN/8DOR-FMN_ligand.pdbqt | data/8D/8DOR-FMN/8DOR-FMN_target.pdbqt | data/8D/8DOR-FMN/8DOR-FMN_decoys.pdbqt | data/8D/8DOR-FMN/8DOR-FMN_decoy_scores.csv |
8D99-QH7 | data/8D/8D99-QH7/8D99-QH7_ligand.pdbqt | data/8D/8D99-QH7/8D99-QH7_target.pdbqt | data/8D/8D99-QH7/8D99-QH7_decoys.pdbqt | data/8D/8D99-QH7/8D99-QH7_decoy_scores.csv |
8D1R-PVF | data/8D/8D1R-PVF/8D1R-PVF_ligand.pdbqt | data/8D/8D1R-PVF/8D1R-PVF_target.pdbqt | data/8D/8D1R-PVF/8D1R-PVF_decoys.pdbqt | data/8D/8D1R-PVF/8D1R-PVF_decoy_scores.csv |
8DKV-CXS | data/8D/8DKV-CXS/8DKV-CXS_ligand.pdbqt | data/8D/8DKV-CXS/8DKV-CXS_target.pdbqt | data/8D/8DKV-CXS/8DKV-CXS_decoys.pdbqt | data/8D/8DKV-CXS/8DKV-CXS_decoy_scores.csv |
8DZU-HC4 | data/8D/8DZU-HC4/8DZU-HC4_ligand.pdbqt | data/8D/8DZU-HC4/8DZU-HC4_target.pdbqt | data/8D/8DZU-HC4/8DZU-HC4_decoys.pdbqt | data/8D/8DZU-HC4/8DZU-HC4_decoy_scores.csv |
8DHT-3PG | data/8D/8DHT-3PG/8DHT-3PG_ligand.pdbqt | data/8D/8DHT-3PG/8DHT-3PG_target.pdbqt | data/8D/8DHT-3PG/8DHT-3PG_decoys.pdbqt | data/8D/8DHT-3PG/8DHT-3PG_decoy_scores.csv |
8DVO-U0I | data/8D/8DVO-U0I/8DVO-U0I_ligand.pdbqt | data/8D/8DVO-U0I/8DVO-U0I_target.pdbqt | data/8D/8DVO-U0I/8DVO-U0I_decoys.pdbqt | data/8D/8DVO-U0I/8DVO-U0I_decoy_scores.csv |
8D1O-MC3 | data/8D/8D1O-MC3/8D1O-MC3_ligand.pdbqt | data/8D/8D1O-MC3/8D1O-MC3_target.pdbqt | data/8D/8D1O-MC3/8D1O-MC3_decoys.pdbqt | data/8D/8D1O-MC3/8D1O-MC3_decoy_scores.csv |
8DU3-TKO | data/8D/8DU3-TKO/8DU3-TKO_ligand.pdbqt | data/8D/8DU3-TKO/8DU3-TKO_target.pdbqt | data/8D/8DU3-TKO/8DU3-TKO_decoys.pdbqt | data/8D/8DU3-TKO/8DU3-TKO_decoy_scores.csv |
8D23-PVU | data/8D/8D23-PVU/8D23-PVU_ligand.pdbqt | data/8D/8D23-PVU/8D23-PVU_target.pdbqt | data/8D/8D23-PVU/8D23-PVU_decoys.pdbqt | data/8D/8D23-PVU/8D23-PVU_decoy_scores.csv |
8DV8-TZ3 | data/8D/8DV8-TZ3/8DV8-TZ3_ligand.pdbqt | data/8D/8DV8-TZ3/8DV8-TZ3_target.pdbqt | data/8D/8DV8-TZ3/8DV8-TZ3_decoys.pdbqt | data/8D/8DV8-TZ3/8DV8-TZ3_decoy_scores.csv |
8D5B-SAH | data/8D/8D5B-SAH/8D5B-SAH_ligand.pdbqt | data/8D/8D5B-SAH/8D5B-SAH_target.pdbqt | data/8D/8D5B-SAH/8D5B-SAH_decoys.pdbqt | data/8D/8D5B-SAH/8D5B-SAH_decoy_scores.csv |
8DZ9-4WI | data/8D/8DZ9-4WI/8DZ9-4WI_ligand.pdbqt | data/8D/8DZ9-4WI/8DZ9-4WI_target.pdbqt | data/8D/8DZ9-4WI/8DZ9-4WI_decoys.pdbqt | data/8D/8DZ9-4WI/8DZ9-4WI_decoy_scores.csv |
8DIL-FMN | data/8D/8DIL-FMN/8DIL-FMN_ligand.pdbqt | data/8D/8DIL-FMN/8DIL-FMN_target.pdbqt | data/8D/8DIL-FMN/8DIL-FMN_decoys.pdbqt | data/8D/8DIL-FMN/8DIL-FMN_decoy_scores.csv |
8DW5-FQ7 | data/8D/8DW5-FQ7/8DW5-FQ7_ligand.pdbqt | data/8D/8DW5-FQ7/8DW5-FQ7_target.pdbqt | data/8D/8DW5-FQ7/8DW5-FQ7_decoys.pdbqt | data/8D/8DW5-FQ7/8DW5-FQ7_decoy_scores.csv |
8DKT-GDP | data/8D/8DKT-GDP/8DKT-GDP_ligand.pdbqt | data/8D/8DKT-GDP/8DKT-GDP_target.pdbqt | data/8D/8DKT-GDP/8DKT-GDP_decoys.pdbqt | data/8D/8DKT-GDP/8DKT-GDP_decoy_scores.csv |
8DO5-KRN | data/8D/8DO5-KRN/8DO5-KRN_ligand.pdbqt | data/8D/8DO5-KRN/8DO5-KRN_target.pdbqt | data/8D/8DO5-KRN/8DO5-KRN_decoys.pdbqt | data/8D/8DO5-KRN/8DO5-KRN_decoy_scores.csv |
8DG6-S7X | data/8D/8DG6-S7X/8DG6-S7X_ligand.pdbqt | data/8D/8DG6-S7X/8DG6-S7X_target.pdbqt | data/8D/8DG6-S7X/8DG6-S7X_decoys.pdbqt | data/8D/8DG6-S7X/8DG6-S7X_decoy_scores.csv |
8D6T-9SL | data/8D/8D6T-9SL/8D6T-9SL_ligand.pdbqt | data/8D/8D6T-9SL/8D6T-9SL_target.pdbqt | data/8D/8D6T-9SL/8D6T-9SL_decoys.pdbqt | data/8D/8D6T-9SL/8D6T-9SL_decoy_scores.csv |
8D1J-MC3 | data/8D/8D1J-MC3/8D1J-MC3_ligand.pdbqt | data/8D/8D1J-MC3/8D1J-MC3_target.pdbqt | data/8D/8D1J-MC3/8D1J-MC3_decoys.pdbqt | data/8D/8D1J-MC3/8D1J-MC3_decoy_scores.csv |
8DQH-T7Q | data/8D/8DQH-T7Q/8DQH-T7Q_ligand.pdbqt | data/8D/8DQH-T7Q/8DQH-T7Q_target.pdbqt | data/8D/8DQH-T7Q/8DQH-T7Q_decoys.pdbqt | data/8D/8DQH-T7Q/8DQH-T7Q_decoy_scores.csv |
8DCS-P32 | data/8D/8DCS-P32/8DCS-P32_ligand.pdbqt | data/8D/8DCS-P32/8DCS-P32_target.pdbqt | data/8D/8DCS-P32/8DCS-P32_decoys.pdbqt | data/8D/8DCS-P32/8DCS-P32_decoy_scores.csv |
8DNJ-GDP | data/8D/8DNJ-GDP/8DNJ-GDP_ligand.pdbqt | data/8D/8DNJ-GDP/8DNJ-GDP_target.pdbqt | data/8D/8DNJ-GDP/8DNJ-GDP_decoys.pdbqt | data/8D/8DNJ-GDP/8DNJ-GDP_decoy_scores.csv |
8DBK-HSX | data/8D/8DBK-HSX/8DBK-HSX_ligand.pdbqt | data/8D/8DBK-HSX/8DBK-HSX_target.pdbqt | data/8D/8DBK-HSX/8DBK-HSX_decoys.pdbqt | data/8D/8DBK-HSX/8DBK-HSX_decoy_scores.csv |
8DC7-R4R | data/8D/8DC7-R4R/8DC7-R4R_ligand.pdbqt | data/8D/8DC7-R4R/8DC7-R4R_target.pdbqt | data/8D/8DC7-R4R/8DC7-R4R_decoys.pdbqt | data/8D/8DC7-R4R/8DC7-R4R_decoy_scores.csv |
8DU6-TQF | data/8D/8DU6-TQF/8DU6-TQF_ligand.pdbqt | data/8D/8DU6-TQF/8DU6-TQF_target.pdbqt | data/8D/8DU6-TQF/8DU6-TQF_decoys.pdbqt | data/8D/8DU6-TQF/8DU6-TQF_decoy_scores.csv |
8DHH-ORO | data/8D/8DHH-ORO/8DHH-ORO_ligand.pdbqt | data/8D/8DHH-ORO/8DHH-ORO_target.pdbqt | data/8D/8DHH-ORO/8DHH-ORO_decoys.pdbqt | data/8D/8DHH-ORO/8DHH-ORO_decoy_scores.csv |
8DHG-ORO | data/8D/8DHG-ORO/8DHG-ORO_ligand.pdbqt | data/8D/8DHG-ORO/8DHG-ORO_target.pdbqt | data/8D/8DHG-ORO/8DHG-ORO_decoys.pdbqt | data/8D/8DHG-ORO/8DHG-ORO_decoy_scores.csv |
8DKV-SKL | data/8D/8DKV-SKL/8DKV-SKL_ligand.pdbqt | data/8D/8DKV-SKL/8DKV-SKL_target.pdbqt | data/8D/8DKV-SKL/8DKV-SKL_decoys.pdbqt | data/8D/8DKV-SKL/8DKV-SKL_decoy_scores.csv |
8D1E-MC3 | data/8D/8D1E-MC3/8D1E-MC3_ligand.pdbqt | data/8D/8D1E-MC3/8D1E-MC3_target.pdbqt | data/8D/8D1E-MC3/8D1E-MC3_decoys.pdbqt | data/8D/8D1E-MC3/8D1E-MC3_decoy_scores.csv |
8DAZ-TRP | data/8D/8DAZ-TRP/8DAZ-TRP_ligand.pdbqt | data/8D/8DAZ-TRP/8DAZ-TRP_target.pdbqt | data/8D/8DAZ-TRP/8DAZ-TRP_decoys.pdbqt | data/8D/8DAZ-TRP/8DAZ-TRP_decoy_scores.csv |
8DPN-HCA | data/8D/8DPN-HCA/8DPN-HCA_ligand.pdbqt | data/8D/8DPN-HCA/8DPN-HCA_target.pdbqt | null | null |
8D41-Q93 | data/8D/8D41-Q93/8D41-Q93_ligand.pdbqt | data/8D/8D41-Q93/8D41-Q93_target.pdbqt | data/8D/8D41-Q93/8D41-Q93_decoys.pdbqt | data/8D/8D41-Q93/8D41-Q93_decoy_scores.csv |
8D6M-9SL | data/8D/8D6M-9SL/8D6M-9SL_ligand.pdbqt | data/8D/8D6M-9SL/8D6M-9SL_target.pdbqt | data/8D/8D6M-9SL/8D6M-9SL_decoys.pdbqt | data/8D/8D6M-9SL/8D6M-9SL_decoy_scores.csv |
8DJY-U3L | data/8D/8DJY-U3L/8DJY-U3L_ligand.pdbqt | data/8D/8DJY-U3L/8DJY-U3L_target.pdbqt | data/8D/8DJY-U3L/8DJY-U3L_decoys.pdbqt | data/8D/8DJY-U3L/8DJY-U3L_decoy_scores.csv |
8D98-QHX | data/8D/8D98-QHX/8D98-QHX_ligand.pdbqt | data/8D/8D98-QHX/8D98-QHX_target.pdbqt | data/8D/8D98-QHX/8D98-QHX_decoys.pdbqt | data/8D/8D98-QHX/8D98-QHX_decoy_scores.csv |
8D76-QFO | data/8D/8D76-QFO/8D76-QFO_ligand.pdbqt | data/8D/8D76-QFO/8D76-QFO_target.pdbqt | data/8D/8D76-QFO/8D76-QFO_decoys.pdbqt | data/8D/8D76-QFO/8D76-QFO_decoy_scores.csv |
8D0E-Q0C | data/8D/8D0E-Q0C/8D0E-Q0C_ligand.pdbqt | data/8D/8D0E-Q0C/8D0E-Q0C_target.pdbqt | data/8D/8D0E-Q0C/8D0E-Q0C_decoys.pdbqt | data/8D/8D0E-Q0C/8D0E-Q0C_decoy_scores.csv |
8DCT-NDG | data/8D/8DCT-NDG/8DCT-NDG_ligand.pdbqt | data/8D/8DCT-NDG/8DCT-NDG_target.pdbqt | data/8D/8DCT-NDG/8DCT-NDG_decoys.pdbqt | data/8D/8DCT-NDG/8DCT-NDG_decoy_scores.csv |
8DTW-TLR | data/8D/8DTW-TLR/8DTW-TLR_ligand.pdbqt | data/8D/8DTW-TLR/8DTW-TLR_target.pdbqt | data/8D/8DTW-TLR/8DTW-TLR_decoys.pdbqt | data/8D/8DTW-TLR/8DTW-TLR_decoy_scores.csv |
8D95-QIE | data/8D/8D95-QIE/8D95-QIE_ligand.pdbqt | data/8D/8D95-QIE/8D95-QIE_target.pdbqt | data/8D/8D95-QIE/8D95-QIE_decoys.pdbqt | data/8D/8D95-QIE/8D95-QIE_decoy_scores.csv |
8DDB-R6X | data/8D/8DDB-R6X/8DDB-R6X_ligand.pdbqt | data/8D/8DDB-R6X/8DDB-R6X_target.pdbqt | data/8D/8DDB-R6X/8DDB-R6X_decoys.pdbqt | data/8D/8DDB-R6X/8DDB-R6X_decoy_scores.csv |
8DUI-TVX | data/8D/8DUI-TVX/8DUI-TVX_ligand.pdbqt | data/8D/8DUI-TVX/8DUI-TVX_target.pdbqt | data/8D/8DUI-TVX/8DUI-TVX_decoys.pdbqt | data/8D/8DUI-TVX/8DUI-TVX_decoy_scores.csv |
8DJ9-IZP | data/8D/8DJ9-IZP/8DJ9-IZP_ligand.pdbqt | data/8D/8DJ9-IZP/8DJ9-IZP_target.pdbqt | data/8D/8DJ9-IZP/8DJ9-IZP_decoys.pdbqt | data/8D/8DJ9-IZP/8DJ9-IZP_decoy_scores.csv |
8DIQ-GTP | data/8D/8DIQ-GTP/8DIQ-GTP_ligand.pdbqt | data/8D/8DIQ-GTP/8DIQ-GTP_target.pdbqt | data/8D/8DIQ-GTP/8DIQ-GTP_decoys.pdbqt | data/8D/8DIQ-GTP/8DIQ-GTP_decoy_scores.csv |
8DBH-ATP | data/8D/8DBH-ATP/8DBH-ATP_ligand.pdbqt | data/8D/8DBH-ATP/8DBH-ATP_target.pdbqt | data/8D/8DBH-ATP/8DBH-ATP_decoys.pdbqt | data/8D/8DBH-ATP/8DBH-ATP_decoy_scores.csv |
8DBL-PRP | data/8D/8DBL-PRP/8DBL-PRP_ligand.pdbqt | data/8D/8DBL-PRP/8DBL-PRP_target.pdbqt | data/8D/8DBL-PRP/8DBL-PRP_decoys.pdbqt | data/8D/8DBL-PRP/8DBL-PRP_decoy_scores.csv |
8DEZ-FLC | data/8D/8DEZ-FLC/8DEZ-FLC_ligand.pdbqt | data/8D/8DEZ-FLC/8DEZ-FLC_target.pdbqt | data/8D/8DEZ-FLC/8DEZ-FLC_decoys.pdbqt | data/8D/8DEZ-FLC/8DEZ-FLC_decoy_scores.csv |
8DB8-IMH | data/8D/8DB8-IMH/8DB8-IMH_ligand.pdbqt | data/8D/8DB8-IMH/8DB8-IMH_target.pdbqt | data/8D/8DB8-IMH/8DB8-IMH_decoys.pdbqt | data/8D/8DB8-IMH/8DB8-IMH_decoy_scores.csv |
8DBJ-HSX | data/8D/8DBJ-HSX/8DBJ-HSX_ligand.pdbqt | data/8D/8DBJ-HSX/8DBJ-HSX_target.pdbqt | data/8D/8DBJ-HSX/8DBJ-HSX_decoys.pdbqt | data/8D/8DBJ-HSX/8DBJ-HSX_decoy_scores.csv |
8DOI-5VL | data/8D/8DOI-5VL/8DOI-5VL_ligand.pdbqt | data/8D/8DOI-5VL/8DOI-5VL_target.pdbqt | data/8D/8DOI-5VL/8DOI-5VL_decoys.pdbqt | data/8D/8DOI-5VL/8DOI-5VL_decoy_scores.csv |
8D5D-5DK | data/8D/8D5D-5DK/8D5D-5DK_ligand.pdbqt | data/8D/8D5D-5DK/8D5D-5DK_target.pdbqt | data/8D/8D5D-5DK/8D5D-5DK_decoys.pdbqt | data/8D/8D5D-5DK/8D5D-5DK_decoy_scores.csv |
8DBB-R3K | data/8D/8DBB-R3K/8DBB-R3K_ligand.pdbqt | data/8D/8DBB-R3K/8DBB-R3K_target.pdbqt | data/8D/8DBB-R3K/8DBB-R3K_decoys.pdbqt | data/8D/8DBB-R3K/8DBB-R3K_decoy_scores.csv |
8D1L-MC3 | data/8D/8D1L-MC3/8D1L-MC3_ligand.pdbqt | data/8D/8D1L-MC3/8D1L-MC3_target.pdbqt | data/8D/8D1L-MC3/8D1L-MC3_decoys.pdbqt | data/8D/8D1L-MC3/8D1L-MC3_decoy_scores.csv |
8DPJ-SE9 | data/8D/8DPJ-SE9/8DPJ-SE9_ligand.pdbqt | data/8D/8DPJ-SE9/8DPJ-SE9_target.pdbqt | data/8D/8DPJ-SE9/8DPJ-SE9_decoys.pdbqt | data/8D/8DPJ-SE9/8DPJ-SE9_decoy_scores.csv |
8DGY-S9U | data/8D/8DGY-S9U/8DGY-S9U_ligand.pdbqt | data/8D/8DGY-S9U/8DGY-S9U_target.pdbqt | data/8D/8DGY-S9U/8DGY-S9U_decoys.pdbqt | data/8D/8DGY-S9U/8DGY-S9U_decoy_scores.csv |
8DYB-4MI | data/8D/8DYB-4MI/8DYB-4MI_ligand.pdbqt | data/8D/8DYB-4MI/8DYB-4MI_target.pdbqt | data/8D/8DYB-4MI/8DYB-4MI_decoys.pdbqt | data/8D/8DYB-4MI/8DYB-4MI_decoy_scores.csv |
8DNK-U50 | data/8D/8DNK-U50/8DNK-U50_ligand.pdbqt | data/8D/8DNK-U50/8DNK-U50_target.pdbqt | data/8D/8DNK-U50/8DNK-U50_decoys.pdbqt | data/8D/8DNK-U50/8DNK-U50_decoy_scores.csv |
8DJV-U3U | data/8D/8DJV-U3U/8DJV-U3U_ligand.pdbqt | data/8D/8DJV-U3U/8DJV-U3U_target.pdbqt | data/8D/8DJV-U3U/8DJV-U3U_decoys.pdbqt | data/8D/8DJV-U3U/8DJV-U3U_decoy_scores.csv |
8D6N-RH6 | data/8D/8D6N-RH6/8D6N-RH6_ligand.pdbqt | data/8D/8D6N-RH6/8D6N-RH6_target.pdbqt | data/8D/8D6N-RH6/8D6N-RH6_decoys.pdbqt | data/8D/8D6N-RH6/8D6N-RH6_decoy_scores.csv |
8DOH-T0U | data/8D/8DOH-T0U/8DOH-T0U_ligand.pdbqt | data/8D/8DOH-T0U/8DOH-T0U_target.pdbqt | data/8D/8DOH-T0U/8DOH-T0U_decoys.pdbqt | data/8D/8DOH-T0U/8DOH-T0U_decoy_scores.csv |
8DBX-HCA | data/8D/8DBX-HCA/8DBX-HCA_ligand.pdbqt | data/8D/8DBX-HCA/8DBX-HCA_target.pdbqt | null | null |
8D1F-MC3 | data/8D/8D1F-MC3/8D1F-MC3_ligand.pdbqt | data/8D/8D1F-MC3/8D1F-MC3_target.pdbqt | data/8D/8D1F-MC3/8D1F-MC3_decoys.pdbqt | data/8D/8D1F-MC3/8D1F-MC3_decoy_scores.csv |
8DL4-SKX | data/8D/8DL4-SKX/8DL4-SKX_ligand.pdbqt | data/8D/8DL4-SKX/8DL4-SKX_target.pdbqt | data/8D/8DL4-SKX/8DL4-SKX_decoys.pdbqt | data/8D/8DL4-SKX/8DL4-SKX_decoy_scores.csv |
8DAZ-GST | data/8D/8DAZ-GST/8DAZ-GST_ligand.pdbqt | data/8D/8DAZ-GST/8DAZ-GST_target.pdbqt | data/8D/8DAZ-GST/8DAZ-GST_decoys.pdbqt | data/8D/8DAZ-GST/8DAZ-GST_decoy_scores.csv |
8DBE-ADP | data/8D/8DBE-ADP/8DBE-ADP_ligand.pdbqt | data/8D/8DBE-ADP/8DBE-ADP_target.pdbqt | data/8D/8DBE-ADP/8DBE-ADP_decoys.pdbqt | data/8D/8DBE-ADP/8DBE-ADP_decoy_scores.csv |
8DHG-FMN | data/8D/8DHG-FMN/8DHG-FMN_ligand.pdbqt | data/8D/8DHG-FMN/8DHG-FMN_target.pdbqt | data/8D/8DHG-FMN/8DHG-FMN_decoys.pdbqt | data/8D/8DHG-FMN/8DHG-FMN_decoy_scores.csv |
8D1I-MC3 | data/8D/8D1I-MC3/8D1I-MC3_ligand.pdbqt | data/8D/8D1I-MC3/8D1I-MC3_target.pdbqt | data/8D/8D1I-MC3/8D1I-MC3_decoys.pdbqt | data/8D/8D1I-MC3/8D1I-MC3_decoy_scores.csv |
8DKS-SO9 | data/8D/8DKS-SO9/8DKS-SO9_ligand.pdbqt | data/8D/8DKS-SO9/8DKS-SO9_target.pdbqt | data/8D/8DKS-SO9/8DKS-SO9_decoys.pdbqt | data/8D/8DKS-SO9/8DKS-SO9_decoy_scores.csv |
8DCW-BEN | data/8D/8DCW-BEN/8DCW-BEN_ligand.pdbqt | data/8D/8DCW-BEN/8DCW-BEN_target.pdbqt | data/8D/8DCW-BEN/8DCW-BEN_decoys.pdbqt | data/8D/8DCW-BEN/8DCW-BEN_decoy_scores.csv |
8DBK-PRP | data/8D/8DBK-PRP/8DBK-PRP_ligand.pdbqt | data/8D/8DBK-PRP/8DBK-PRP_target.pdbqt | data/8D/8DBK-PRP/8DBK-PRP_decoys.pdbqt | data/8D/8DBK-PRP/8DBK-PRP_decoy_scores.csv |
8DZY-HC4 | data/8D/8DZY-HC4/8DZY-HC4_ligand.pdbqt | data/8D/8DZY-HC4/8DZY-HC4_target.pdbqt | data/8D/8DZY-HC4/8DZY-HC4_decoys.pdbqt | data/8D/8DZY-HC4/8DZY-HC4_decoy_scores.csv |
8D25-PV3 | data/8D/8D25-PV3/8D25-PV3_ligand.pdbqt | data/8D/8D25-PV3/8D25-PV3_target.pdbqt | data/8D/8D25-PV3/8D25-PV3_decoys.pdbqt | data/8D/8D25-PV3/8D25-PV3_decoy_scores.csv |
8DBN-HSX | data/8D/8DBN-HSX/8DBN-HSX_ligand.pdbqt | data/8D/8DBN-HSX/8DBN-HSX_target.pdbqt | data/8D/8DBN-HSX/8DBN-HSX_decoys.pdbqt | data/8D/8DBN-HSX/8DBN-HSX_decoy_scores.csv |
8DOG-H48 | data/8D/8DOG-H48/8DOG-H48_ligand.pdbqt | data/8D/8DOG-H48/8DOG-H48_target.pdbqt | data/8D/8DOG-H48/8DOG-H48_decoys.pdbqt | data/8D/8DOG-H48/8DOG-H48_decoy_scores.csv |
8DHF-T6L | data/8D/8DHF-T6L/8DHF-T6L_ligand.pdbqt | data/8D/8DHF-T6L/8DHF-T6L_target.pdbqt | data/8D/8DHF-T6L/8DHF-T6L_decoys.pdbqt | data/8D/8DHF-T6L/8DHF-T6L_decoy_scores.csv |
8DUC-TU9 | data/8D/8DUC-TU9/8DUC-TU9_ligand.pdbqt | data/8D/8DUC-TU9/8DUC-TU9_target.pdbqt | data/8D/8DUC-TU9/8DUC-TU9_decoys.pdbqt | data/8D/8DUC-TU9/8DUC-TU9_decoy_scores.csv |
8DUG-TVF | data/8D/8DUG-TVF/8DUG-TVF_ligand.pdbqt | data/8D/8DUG-TVF/8DUG-TVF_target.pdbqt | data/8D/8DUG-TVF/8DUG-TVF_decoys.pdbqt | data/8D/8DUG-TVF/8DUG-TVF_decoy_scores.csv |
8DSZ-TJO | data/8D/8DSZ-TJO/8DSZ-TJO_ligand.pdbqt | data/8D/8DSZ-TJO/8DSZ-TJO_target.pdbqt | data/8D/8DSZ-TJO/8DSZ-TJO_decoys.pdbqt | data/8D/8DSZ-TJO/8DSZ-TJO_decoy_scores.csv |
8DUD-TV3 | data/8D/8DUD-TV3/8DUD-TV3_ligand.pdbqt | data/8D/8DUD-TV3/8DUD-TV3_target.pdbqt | data/8D/8DUD-TV3/8DUD-TV3_decoys.pdbqt | data/8D/8DUD-TV3/8DUD-TV3_decoy_scores.csv |
8DUH-TVL | data/8D/8DUH-TVL/8DUH-TVL_ligand.pdbqt | data/8D/8DUH-TVL/8DUH-TVL_target.pdbqt | data/8D/8DUH-TVL/8DUH-TVL_decoys.pdbqt | data/8D/8DUH-TVL/8DUH-TVL_decoy_scores.csv |
8DL3-QEI | data/8D/8DL3-QEI/8DL3-QEI_ligand.pdbqt | data/8D/8DL3-QEI/8DL3-QEI_target.pdbqt | data/8D/8DL3-QEI/8DL3-QEI_decoys.pdbqt | data/8D/8DL3-QEI/8DL3-QEI_decoy_scores.csv |
8DBF-HSX | data/8D/8DBF-HSX/8DBF-HSX_ligand.pdbqt | data/8D/8DBF-HSX/8DBF-HSX_target.pdbqt | data/8D/8DBF-HSX/8DBF-HSX_decoys.pdbqt | data/8D/8DBF-HSX/8DBF-HSX_decoy_scores.csv |
8DQG-ANP | data/8D/8DQG-ANP/8DQG-ANP_ligand.pdbqt | data/8D/8DQG-ANP/8DQG-ANP_target.pdbqt | data/8D/8DQG-ANP/8DQG-ANP_decoys.pdbqt | data/8D/8DQG-ANP/8DQG-ANP_decoy_scores.csv |
8DYH-U5X | data/8D/8DYH-U5X/8DYH-U5X_ligand.pdbqt | data/8D/8DYH-U5X/8DYH-U5X_target.pdbqt | data/8D/8DYH-U5X/8DYH-U5X_decoys.pdbqt | data/8D/8DYH-U5X/8DYH-U5X_decoy_scores.csv |
8DCT-BEN | data/8D/8DCT-BEN/8DCT-BEN_ligand.pdbqt | data/8D/8DCT-BEN/8DCT-BEN_target.pdbqt | data/8D/8DCT-BEN/8DCT-BEN_decoys.pdbqt | data/8D/8DCT-BEN/8DCT-BEN_decoy_scores.csv |
8D88-R1O | data/8D/8D88-R1O/8D88-R1O_ligand.pdbqt | data/8D/8D88-R1O/8D88-R1O_target.pdbqt | data/8D/8D88-R1O/8D88-R1O_decoys.pdbqt | data/8D/8D88-R1O/8D88-R1O_decoy_scores.csv |
8DYI-U6C | data/8D/8DYI-U6C/8DYI-U6C_ligand.pdbqt | data/8D/8DYI-U6C/8DYI-U6C_target.pdbqt | data/8D/8DYI-U6C/8DYI-U6C_decoys.pdbqt | data/8D/8DYI-U6C/8DYI-U6C_decoy_scores.csv |
8DCL-GDP | data/8D/8DCL-GDP/8DCL-GDP_ligand.pdbqt | data/8D/8DCL-GDP/8DCL-GDP_target.pdbqt | data/8D/8DCL-GDP/8DCL-GDP_decoys.pdbqt | data/8D/8DCL-GDP/8DCL-GDP_decoy_scores.csv |
8DV5-TX9 | data/8D/8DV5-TX9/8DV5-TX9_ligand.pdbqt | data/8D/8DV5-TX9/8DV5-TX9_target.pdbqt | data/8D/8DV5-TX9/8DV5-TX9_decoys.pdbqt | data/8D/8DV5-TX9/8DV5-TX9_decoy_scores.csv |
8DKY-U90 | data/8D/8DKY-U90/8DKY-U90_ligand.pdbqt | data/8D/8DKY-U90/8DKY-U90_target.pdbqt | data/8D/8DKY-U90/8DKY-U90_decoys.pdbqt | data/8D/8DKY-U90/8DKY-U90_decoy_scores.csv |
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