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 ⌀ |
|---|---|---|---|---|
1KW1-LG6 | data/1K/1KW1-LG6/1KW1-LG6_ligand.pdbqt | data/1K/1KW1-LG6/1KW1-LG6_target.pdbqt | data/1K/1KW1-LG6/1KW1-LG6_decoys.pdbqt | data/1K/1KW1-LG6/1KW1-LG6_decoy_scores.csv |
1KOL-NAD | data/1K/1KOL-NAD/1KOL-NAD_ligand.pdbqt | data/1K/1KOL-NAD/1KOL-NAD_target.pdbqt | data/1K/1KOL-NAD/1KOL-NAD_decoys.pdbqt | data/1K/1KOL-NAD/1KOL-NAD_decoy_scores.csv |
1KEP-TDX | data/1K/1KEP-TDX/1KEP-TDX_ligand.pdbqt | data/1K/1KEP-TDX/1KEP-TDX_target.pdbqt | data/1K/1KEP-TDX/1KEP-TDX_decoys.pdbqt | data/1K/1KEP-TDX/1KEP-TDX_decoy_scores.csv |
1K2U-TFM | data/1K/1K2U-TFM/1K2U-TFM_ligand.pdbqt | data/1K/1K2U-TFM/1K2U-TFM_target.pdbqt | data/1K/1K2U-TFM/1K2U-TFM_decoys.pdbqt | data/1K/1K2U-TFM/1K2U-TFM_decoy_scores.csv |
1K4M-NAD | data/1K/1K4M-NAD/1K4M-NAD_ligand.pdbqt | data/1K/1K4M-NAD/1K4M-NAD_target.pdbqt | data/1K/1K4M-NAD/1K4M-NAD_decoys.pdbqt | data/1K/1K4M-NAD/1K4M-NAD_decoy_scores.csv |
1KIM-THM | data/1K/1KIM-THM/1KIM-THM_ligand.pdbqt | data/1K/1KIM-THM/1KIM-THM_target.pdbqt | data/1K/1KIM-THM/1KIM-THM_decoys.pdbqt | data/1K/1KIM-THM/1KIM-THM_decoy_scores.csv |
1K9Y-AMP | data/1K/1K9Y-AMP/1K9Y-AMP_ligand.pdbqt | data/1K/1K9Y-AMP/1K9Y-AMP_target.pdbqt | data/1K/1K9Y-AMP/1K9Y-AMP_decoys.pdbqt | data/1K/1K9Y-AMP/1K9Y-AMP_decoy_scores.csv |
1K27-MTM | data/1K/1K27-MTM/1K27-MTM_ligand.pdbqt | data/1K/1K27-MTM/1K27-MTM_target.pdbqt | data/1K/1K27-MTM/1K27-MTM_decoys.pdbqt | data/1K/1K27-MTM/1K27-MTM_decoy_scores.csv |
1KMO-HTO | data/1K/1KMO-HTO/1KMO-HTO_ligand.pdbqt | data/1K/1KMO-HTO/1KMO-HTO_target.pdbqt | data/1K/1KMO-HTO/1KMO-HTO_decoys.pdbqt | data/1K/1KMO-HTO/1KMO-HTO_decoy_scores.csv |
1KCD-GTK | data/1K/1KCD-GTK/1KCD-GTK_ligand.pdbqt | data/1K/1KCD-GTK/1KCD-GTK_target.pdbqt | data/1K/1KCD-GTK/1KCD-GTK_decoys.pdbqt | data/1K/1KCD-GTK/1KCD-GTK_decoy_scores.csv |
1KJI-ACP | data/1K/1KJI-ACP/1KJI-ACP_ligand.pdbqt | data/1K/1KJI-ACP/1KJI-ACP_target.pdbqt | data/1K/1KJI-ACP/1KJI-ACP_decoys.pdbqt | data/1K/1KJI-ACP/1KJI-ACP_decoy_scores.csv |
1KBO-340 | data/1K/1KBO-340/1KBO-340_ligand.pdbqt | data/1K/1KBO-340/1KBO-340_target.pdbqt | data/1K/1KBO-340/1KBO-340_decoys.pdbqt | data/1K/1KBO-340/1KBO-340_decoy_scores.csv |
1K1L-FD3 | data/1K/1K1L-FD3/1K1L-FD3_ligand.pdbqt | data/1K/1K1L-FD3/1K1L-FD3_target.pdbqt | data/1K/1K1L-FD3/1K1L-FD3_decoys.pdbqt | data/1K/1K1L-FD3/1K1L-FD3_decoy_scores.csv |
1KB9-SMA | data/1K/1KB9-SMA/1KB9-SMA_ligand.pdbqt | data/1K/1KB9-SMA/1KB9-SMA_target.pdbqt | data/1K/1KB9-SMA/1KB9-SMA_decoys.pdbqt | data/1K/1KB9-SMA/1KB9-SMA_decoy_scores.csv |
1K1J-FD2 | data/1K/1K1J-FD2/1K1J-FD2_ligand.pdbqt | data/1K/1K1J-FD2/1K1J-FD2_target.pdbqt | data/1K/1K1J-FD2/1K1J-FD2_decoys.pdbqt | data/1K/1K1J-FD2/1K1J-FD2_decoy_scores.csv |
1KI0-BCN | data/1K/1KI0-BCN/1KI0-BCN_ligand.pdbqt | data/1K/1KI0-BCN/1KI0-BCN_target.pdbqt | data/1K/1KI0-BCN/1KI0-BCN_decoys.pdbqt | data/1K/1KI0-BCN/1KI0-BCN_decoy_scores.csv |
1KCE-UMP | data/1K/1KCE-UMP/1KCE-UMP_ligand.pdbqt | data/1K/1KCE-UMP/1KCE-UMP_target.pdbqt | data/1K/1KCE-UMP/1KCE-UMP_decoys.pdbqt | data/1K/1KCE-UMP/1KCE-UMP_decoy_scores.csv |
1KJP-GLU | data/1K/1KJP-GLU/1KJP-GLU_ligand.pdbqt | data/1K/1KJP-GLU/1KJP-GLU_target.pdbqt | data/1K/1KJP-GLU/1KJP-GLU_decoys.pdbqt | data/1K/1KJP-GLU/1KJP-GLU_decoy_scores.csv |
1KE5-LS1 | data/1K/1KE5-LS1/1KE5-LS1_ligand.pdbqt | data/1K/1KE5-LS1/1KE5-LS1_target.pdbqt | data/1K/1KE5-LS1/1KE5-LS1_decoys.pdbqt | data/1K/1KE5-LS1/1KE5-LS1_decoy_scores.csv |
1KHZ-ADV | data/1K/1KHZ-ADV/1KHZ-ADV_ligand.pdbqt | data/1K/1KHZ-ADV/1KHZ-ADV_target.pdbqt | data/1K/1KHZ-ADV/1KHZ-ADV_decoys.pdbqt | data/1K/1KHZ-ADV/1KHZ-ADV_decoy_scores.csv |
1KE7-LS3 | data/1K/1KE7-LS3/1KE7-LS3_ligand.pdbqt | data/1K/1KE7-LS3/1KE7-LS3_target.pdbqt | data/1K/1KE7-LS3/1KE7-LS3_decoys.pdbqt | data/1K/1KE7-LS3/1KE7-LS3_decoy_scores.csv |
1KOR-ARG | data/1K/1KOR-ARG/1KOR-ARG_ligand.pdbqt | data/1K/1KOR-ARG/1KOR-ARG_target.pdbqt | data/1K/1KOR-ARG/1KOR-ARG_decoys.pdbqt | data/1K/1KOR-ARG/1KOR-ARG_decoy_scores.csv |
1KV1-BMU | data/1K/1KV1-BMU/1KV1-BMU_ligand.pdbqt | data/1K/1KV1-BMU/1KV1-BMU_target.pdbqt | data/1K/1KV1-BMU/1KV1-BMU_decoys.pdbqt | data/1K/1KV1-BMU/1KV1-BMU_decoy_scores.csv |
1KIJ-NOV | data/1K/1KIJ-NOV/1KIJ-NOV_ligand.pdbqt | data/1K/1KIJ-NOV/1KIJ-NOV_target.pdbqt | data/1K/1KIJ-NOV/1KIJ-NOV_decoys.pdbqt | data/1K/1KIJ-NOV/1KIJ-NOV_decoy_scores.csv |
1KPG-SAH | data/1K/1KPG-SAH/1KPG-SAH_ligand.pdbqt | data/1K/1KPG-SAH/1KPG-SAH_target.pdbqt | data/1K/1KPG-SAH/1KPG-SAH_decoys.pdbqt | data/1K/1KPG-SAH/1KPG-SAH_decoy_scores.csv |
1K3D-ADP | data/1K/1K3D-ADP/1K3D-ADP_ligand.pdbqt | data/1K/1K3D-ADP/1K3D-ADP_target.pdbqt | null | null |
621P-GNP | data/62/621P-GNP/621P-GNP_ligand.pdbqt | data/62/621P-GNP/621P-GNP_target.pdbqt | data/62/621P-GNP/621P-GNP_decoys.pdbqt | data/62/621P-GNP/621P-GNP_decoy_scores.csv |
6UXJ-FFO | data/6U/6UXJ-FFO/6UXJ-FFO_ligand.pdbqt | data/6U/6UXJ-FFO/6UXJ-FFO_target.pdbqt | data/6U/6UXJ-FFO/6UXJ-FFO_decoys.pdbqt | data/6U/6UXJ-FFO/6UXJ-FFO_decoy_scores.csv |
6U1I-ADP | data/6U/6U1I-ADP/6U1I-ADP_ligand.pdbqt | data/6U/6U1I-ADP/6U1I-ADP_target.pdbqt | data/6U/6U1I-ADP/6U1I-ADP_decoys.pdbqt | data/6U/6U1I-ADP/6U1I-ADP_decoy_scores.csv |
6U4J-PWV | data/6U/6U4J-PWV/6U4J-PWV_ligand.pdbqt | data/6U/6U4J-PWV/6U4J-PWV_target.pdbqt | data/6U/6U4J-PWV/6U4J-PWV_decoys.pdbqt | data/6U/6U4J-PWV/6U4J-PWV_decoy_scores.csv |
6UVY-QJP | data/6U/6UVY-QJP/6UVY-QJP_ligand.pdbqt | data/6U/6UVY-QJP/6UVY-QJP_target.pdbqt | data/6U/6UVY-QJP/6UVY-QJP_decoys.pdbqt | data/6U/6UVY-QJP/6UVY-QJP_decoy_scores.csv |
6UQX-QFJ | data/6U/6UQX-QFJ/6UQX-QFJ_ligand.pdbqt | data/6U/6UQX-QFJ/6UQX-QFJ_target.pdbqt | data/6U/6UQX-QFJ/6UQX-QFJ_decoys.pdbqt | data/6U/6UQX-QFJ/6UQX-QFJ_decoy_scores.csv |
6UYB-QSJ | data/6U/6UYB-QSJ/6UYB-QSJ_ligand.pdbqt | data/6U/6UYB-QSJ/6UYB-QSJ_target.pdbqt | data/6U/6UYB-QSJ/6UYB-QSJ_decoys.pdbqt | data/6U/6UYB-QSJ/6UYB-QSJ_decoy_scores.csv |
6U3Y-PQJ | data/6U/6U3Y-PQJ/6U3Y-PQJ_ligand.pdbqt | data/6U/6U3Y-PQJ/6U3Y-PQJ_target.pdbqt | data/6U/6U3Y-PQJ/6U3Y-PQJ_decoys.pdbqt | data/6U/6U3Y-PQJ/6U3Y-PQJ_decoy_scores.csv |
6U1K-ADP | data/6U/6U1K-ADP/6U1K-ADP_ligand.pdbqt | data/6U/6U1K-ADP/6U1K-ADP_target.pdbqt | data/6U/6U1K-ADP/6U1K-ADP_decoys.pdbqt | data/6U/6U1K-ADP/6U1K-ADP_decoy_scores.csv |
6UAC-MX1 | data/6U/6UAC-MX1/6UAC-MX1_ligand.pdbqt | data/6U/6UAC-MX1/6UAC-MX1_target.pdbqt | data/6U/6UAC-MX1/6UAC-MX1_decoys.pdbqt | data/6U/6UAC-MX1/6UAC-MX1_decoy_scores.csv |
6UNX-GTP | data/6U/6UNX-GTP/6UNX-GTP_ligand.pdbqt | data/6U/6UNX-GTP/6UNX-GTP_target.pdbqt | data/6U/6UNX-GTP/6UNX-GTP_decoys.pdbqt | data/6U/6UNX-GTP/6UNX-GTP_decoy_scores.csv |
6UWW-MMV | data/6U/6UWW-MMV/6UWW-MMV_ligand.pdbqt | data/6U/6UWW-MMV/6UWW-MMV_target.pdbqt | data/6U/6UWW-MMV/6UWW-MMV_decoys.pdbqt | data/6U/6UWW-MMV/6UWW-MMV_decoy_scores.csv |
6U43-GCP | data/6U/6U43-GCP/6U43-GCP_ligand.pdbqt | data/6U/6U43-GCP/6U43-GCP_target.pdbqt | data/6U/6U43-GCP/6U43-GCP_decoys.pdbqt | data/6U/6U43-GCP/6U43-GCP_decoy_scores.csv |
6UQY-AT3 | data/6U/6UQY-AT3/6UQY-AT3_ligand.pdbqt | data/6U/6UQY-AT3/6UQY-AT3_target.pdbqt | data/6U/6UQY-AT3/6UQY-AT3_decoys.pdbqt | data/6U/6UQY-AT3/6UQY-AT3_decoy_scores.csv |
6USX-M1R | data/6U/6USX-M1R/6USX-M1R_ligand.pdbqt | data/6U/6USX-M1R/6USX-M1R_target.pdbqt | data/6U/6USX-M1R/6USX-M1R_decoys.pdbqt | data/6U/6USX-M1R/6USX-M1R_decoy_scores.csv |
6UEE-Q5M | data/6U/6UEE-Q5M/6UEE-Q5M_ligand.pdbqt | data/6U/6UEE-Q5M/6UEE-Q5M_target.pdbqt | data/6U/6UEE-Q5M/6UEE-Q5M_decoys.pdbqt | data/6U/6UEE-Q5M/6UEE-Q5M_decoy_scores.csv |
6UPP-VRB | data/6U/6UPP-VRB/6UPP-VRB_ligand.pdbqt | data/6U/6UPP-VRB/6UPP-VRB_target.pdbqt | data/6U/6UPP-VRB/6UPP-VRB_decoys.pdbqt | data/6U/6UPP-VRB/6UPP-VRB_decoy_scores.csv |
6U4I-EQU | data/6U/6U4I-EQU/6U4I-EQU_ligand.pdbqt | data/6U/6U4I-EQU/6U4I-EQU_target.pdbqt | data/6U/6U4I-EQU/6U4I-EQU_decoys.pdbqt | data/6U/6U4I-EQU/6U4I-EQU_decoy_scores.csv |
6USA-PZJ | data/6U/6USA-PZJ/6USA-PZJ_ligand.pdbqt | data/6U/6USA-PZJ/6USA-PZJ_target.pdbqt | data/6U/6USA-PZJ/6USA-PZJ_decoys.pdbqt | data/6U/6USA-PZJ/6USA-PZJ_decoy_scores.csv |
6UFP-NAD | data/6U/6UFP-NAD/6UFP-NAD_ligand.pdbqt | data/6U/6UFP-NAD/6UFP-NAD_target.pdbqt | data/6U/6UFP-NAD/6UFP-NAD_decoys.pdbqt | data/6U/6UFP-NAD/6UFP-NAD_decoy_scores.csv |
6UPR-GDP | data/6U/6UPR-GDP/6UPR-GDP_ligand.pdbqt | data/6U/6UPR-GDP/6UPR-GDP_target.pdbqt | data/6U/6UPR-GDP/6UPR-GDP_decoys.pdbqt | data/6U/6UPR-GDP/6UPR-GDP_decoy_scores.csv |
6U09-EI9 | data/6U/6U09-EI9/6U09-EI9_ligand.pdbqt | data/6U/6U09-EI9/6U09-EI9_target.pdbqt | data/6U/6U09-EI9/6U09-EI9_decoys.pdbqt | data/6U/6U09-EI9/6U09-EI9_decoy_scores.csv |
6U37-PQV | data/6U/6U37-PQV/6U37-PQV_ligand.pdbqt | data/6U/6U37-PQV/6U37-PQV_target.pdbqt | data/6U/6U37-PQV/6U37-PQV_decoys.pdbqt | data/6U/6U37-PQV/6U37-PQV_decoy_scores.csv |
6UN0-QBV | data/6U/6UN0-QBV/6UN0-QBV_ligand.pdbqt | data/6U/6UN0-QBV/6UN0-QBV_target.pdbqt | data/6U/6UN0-QBV/6UN0-QBV_decoys.pdbqt | data/6U/6UN0-QBV/6UN0-QBV_decoy_scores.csv |
6U0K-DTQ | data/6U/6U0K-DTQ/6U0K-DTQ_ligand.pdbqt | data/6U/6U0K-DTQ/6U0K-DTQ_target.pdbqt | data/6U/6U0K-DTQ/6U0K-DTQ_decoys.pdbqt | data/6U/6U0K-DTQ/6U0K-DTQ_decoy_scores.csv |
6UPT-QFM | data/6U/6UPT-QFM/6UPT-QFM_ligand.pdbqt | data/6U/6UPT-QFM/6UPT-QFM_target.pdbqt | data/6U/6UPT-QFM/6UPT-QFM_decoys.pdbqt | data/6U/6UPT-QFM/6UPT-QFM_decoy_scores.csv |
6U44-GCP | data/6U/6U44-GCP/6U44-GCP_ligand.pdbqt | data/6U/6U44-GCP/6U44-GCP_target.pdbqt | data/6U/6U44-GCP/6U44-GCP_decoys.pdbqt | data/6U/6U44-GCP/6U44-GCP_decoy_scores.csv |
6UW5-FO1 | data/6U/6UW5-FO1/6UW5-FO1_ligand.pdbqt | data/6U/6UW5-FO1/6UW5-FO1_target.pdbqt | data/6U/6UW5-FO1/6UW5-FO1_decoys.pdbqt | data/6U/6UW5-FO1/6UW5-FO1_decoy_scores.csv |
6UHZ-Q8D | data/6U/6UHZ-Q8D/6UHZ-Q8D_ligand.pdbqt | data/6U/6UHZ-Q8D/6UHZ-Q8D_target.pdbqt | data/6U/6UHZ-Q8D/6UHZ-Q8D_decoys.pdbqt | data/6U/6UHZ-Q8D/6UHZ-Q8D_decoy_scores.csv |
6UAK-SAH | data/6U/6UAK-SAH/6UAK-SAH_ligand.pdbqt | data/6U/6UAK-SAH/6UAK-SAH_target.pdbqt | data/6U/6UAK-SAH/6UAK-SAH_decoys.pdbqt | data/6U/6UAK-SAH/6UAK-SAH_decoy_scores.csv |
6UNQ-ANP | data/6U/6UNQ-ANP/6UNQ-ANP_ligand.pdbqt | data/6U/6UNQ-ANP/6UNQ-ANP_target.pdbqt | data/6U/6UNQ-ANP/6UNQ-ANP_decoys.pdbqt | data/6U/6UNQ-ANP/6UNQ-ANP_decoy_scores.csv |
6USY-QGS | data/6U/6USY-QGS/6USY-QGS_ligand.pdbqt | data/6U/6USY-QGS/6USY-QGS_target.pdbqt | data/6U/6USY-QGS/6USY-QGS_decoys.pdbqt | data/6U/6USY-QGS/6USY-QGS_decoy_scores.csv |
6UN3-XT8 | data/6U/6UN3-XT8/6UN3-XT8_ligand.pdbqt | data/6U/6UN3-XT8/6UN3-XT8_target.pdbqt | data/6U/6UN3-XT8/6UN3-XT8_decoys.pdbqt | data/6U/6UN3-XT8/6UN3-XT8_decoy_scores.csv |
6UCY-ASD | data/6U/6UCY-ASD/6UCY-ASD_ligand.pdbqt | data/6U/6UCY-ASD/6UCY-ASD_target.pdbqt | data/6U/6UCY-ASD/6UCY-ASD_decoys.pdbqt | data/6U/6UCY-ASD/6UCY-ASD_decoy_scores.csv |
6UP4-ADP | data/6U/6UP4-ADP/6UP4-ADP_ligand.pdbqt | data/6U/6UP4-ADP/6UP4-ADP_target.pdbqt | data/6U/6UP4-ADP/6UP4-ADP_decoys.pdbqt | data/6U/6UP4-ADP/6UP4-ADP_decoy_scores.csv |
6UD5-TRP | data/6U/6UD5-TRP/6UD5-TRP_ligand.pdbqt | data/6U/6UD5-TRP/6UD5-TRP_target.pdbqt | data/6U/6UD5-TRP/6UD5-TRP_decoys.pdbqt | data/6U/6UD5-TRP/6UD5-TRP_decoy_scores.csv |
6UPI-QFD | data/6U/6UPI-QFD/6UPI-QFD_ligand.pdbqt | data/6U/6UPI-QFD/6UPI-QFD_target.pdbqt | data/6U/6UPI-QFD/6UPI-QFD_decoys.pdbqt | data/6U/6UPI-QFD/6UPI-QFD_decoy_scores.csv |
6UJJ-QBP | data/6U/6UJJ-QBP/6UJJ-QBP_ligand.pdbqt | data/6U/6UJJ-QBP/6UJJ-QBP_target.pdbqt | data/6U/6UJJ-QBP/6UJJ-QBP_decoys.pdbqt | data/6U/6UJJ-QBP/6UJJ-QBP_decoy_scores.csv |
6UR1-AT3 | data/6U/6UR1-AT3/6UR1-AT3_ligand.pdbqt | data/6U/6UR1-AT3/6UR1-AT3_target.pdbqt | data/6U/6UR1-AT3/6UR1-AT3_decoys.pdbqt | data/6U/6UR1-AT3/6UR1-AT3_decoy_scores.csv |
6U1I-DS0 | data/6U/6U1I-DS0/6U1I-DS0_ligand.pdbqt | data/6U/6U1I-DS0/6U1I-DS0_target.pdbqt | data/6U/6U1I-DS0/6U1I-DS0_decoys.pdbqt | data/6U/6U1I-DS0/6U1I-DS0_decoy_scores.csv |
6UYA-QL7 | data/6U/6UYA-QL7/6UYA-QL7_ligand.pdbqt | data/6U/6UYA-QL7/6UYA-QL7_target.pdbqt | data/6U/6UYA-QL7/6UYA-QL7_decoys.pdbqt | data/6U/6UYA-QL7/6UYA-QL7_decoy_scores.csv |
6U0J-9EF | data/6U/6U0J-9EF/6U0J-9EF_ligand.pdbqt | data/6U/6U0J-9EF/6U0J-9EF_target.pdbqt | data/6U/6U0J-9EF/6U0J-9EF_decoys.pdbqt | data/6U/6U0J-9EF/6U0J-9EF_decoy_scores.csv |
6URX-JMG | data/6U/6URX-JMG/6URX-JMG_ligand.pdbqt | data/6U/6URX-JMG/6URX-JMG_target.pdbqt | data/6U/6URX-JMG/6URX-JMG_decoys.pdbqt | data/6U/6URX-JMG/6URX-JMG_decoy_scores.csv |
6UL5-QAG | data/6U/6UL5-QAG/6UL5-QAG_ligand.pdbqt | data/6U/6UL5-QAG/6UL5-QAG_target.pdbqt | data/6U/6UL5-QAG/6UL5-QAG_decoys.pdbqt | data/6U/6UL5-QAG/6UL5-QAG_decoy_scores.csv |
6U2Y-MX1 | data/6U/6U2Y-MX1/6U2Y-MX1_ligand.pdbqt | data/6U/6U2Y-MX1/6U2Y-MX1_target.pdbqt | data/6U/6U2Y-MX1/6U2Y-MX1_decoys.pdbqt | data/6U/6U2Y-MX1/6U2Y-MX1_decoy_scores.csv |
6UCN-EQU | data/6U/6UCN-EQU/6UCN-EQU_ligand.pdbqt | data/6U/6UCN-EQU/6UCN-EQU_target.pdbqt | data/6U/6UCN-EQU/6UCN-EQU_decoys.pdbqt | data/6U/6UCN-EQU/6UCN-EQU_decoy_scores.csv |
6UGO-Q77 | data/6U/6UGO-Q77/6UGO-Q77_ligand.pdbqt | data/6U/6UGO-Q77/6UGO-Q77_target.pdbqt | data/6U/6UGO-Q77/6UGO-Q77_decoys.pdbqt | data/6U/6UGO-Q77/6UGO-Q77_decoy_scores.csv |
6UEG-Q5G | data/6U/6UEG-Q5G/6UEG-Q5G_ligand.pdbqt | data/6U/6UEG-Q5G/6UEG-Q5G_target.pdbqt | data/6U/6UEG-Q5G/6UEG-Q5G_decoys.pdbqt | data/6U/6UEG-Q5G/6UEG-Q5G_decoy_scores.csv |
6U4T-PX7 | data/6U/6U4T-PX7/6U4T-PX7_ligand.pdbqt | data/6U/6U4T-PX7/6U4T-PX7_target.pdbqt | data/6U/6U4T-PX7/6U4T-PX7_decoys.pdbqt | data/6U/6U4T-PX7/6U4T-PX7_decoy_scores.csv |
6UIU-QG7 | data/6U/6UIU-QG7/6UIU-QG7_ligand.pdbqt | data/6U/6UIU-QG7/6UIU-QG7_target.pdbqt | data/6U/6UIU-QG7/6UIU-QG7_decoys.pdbqt | data/6U/6UIU-QG7/6UIU-QG7_decoy_scores.csv |
6U1J-ADP | data/6U/6U1J-ADP/6U1J-ADP_ligand.pdbqt | data/6U/6U1J-ADP/6U1J-ADP_target.pdbqt | data/6U/6U1J-ADP/6U1J-ADP_decoys.pdbqt | data/6U/6U1J-ADP/6U1J-ADP_decoy_scores.csv |
6U4P-PQJ | data/6U/6U4P-PQJ/6U4P-PQJ_ligand.pdbqt | data/6U/6U4P-PQJ/6U4P-PQJ_target.pdbqt | data/6U/6U4P-PQJ/6U4P-PQJ_decoys.pdbqt | data/6U/6U4P-PQJ/6U4P-PQJ_decoy_scores.csv |
6UMW-CTC | data/6U/6UMW-CTC/6UMW-CTC_ligand.pdbqt | data/6U/6UMW-CTC/6UMW-CTC_target.pdbqt | data/6U/6UMW-CTC/6UMW-CTC_decoys.pdbqt | data/6U/6UMW-CTC/6UMW-CTC_decoy_scores.csv |
6U2N-PV7 | data/6U/6U2N-PV7/6U2N-PV7_ligand.pdbqt | data/6U/6U2N-PV7/6U2N-PV7_target.pdbqt | data/6U/6U2N-PV7/6U2N-PV7_decoys.pdbqt | data/6U/6U2N-PV7/6U2N-PV7_decoy_scores.csv |
6U2Z-3P7 | data/6U/6U2Z-3P7/6U2Z-3P7_ligand.pdbqt | data/6U/6U2Z-3P7/6U2Z-3P7_target.pdbqt | data/6U/6U2Z-3P7/6U2Z-3P7_decoys.pdbqt | data/6U/6U2Z-3P7/6U2Z-3P7_decoy_scores.csv |
6UX1-SAL | data/6U/6UX1-SAL/6UX1-SAL_ligand.pdbqt | data/6U/6UX1-SAL/6UX1-SAL_target.pdbqt | data/6U/6UX1-SAL/6UX1-SAL_decoys.pdbqt | data/6U/6UX1-SAL/6UX1-SAL_decoy_scores.csv |
6UVD-XOU | data/6U/6UVD-XOU/6UVD-XOU_ligand.pdbqt | data/6U/6UVD-XOU/6UVD-XOU_target.pdbqt | data/6U/6UVD-XOU/6UVD-XOU_decoys.pdbqt | data/6U/6UVD-XOU/6UVD-XOU_decoy_scores.csv |
6UXP-PG8 | data/6U/6UXP-PG8/6UXP-PG8_ligand.pdbqt | data/6U/6UXP-PG8/6UXP-PG8_target.pdbqt | data/6U/6UXP-PG8/6UXP-PG8_decoys.pdbqt | data/6U/6UXP-PG8/6UXP-PG8_decoy_scores.csv |
6UFF-FMN | data/6U/6UFF-FMN/6UFF-FMN_ligand.pdbqt | data/6U/6UFF-FMN/6UFF-FMN_target.pdbqt | data/6U/6UFF-FMN/6UFF-FMN_decoys.pdbqt | data/6U/6UFF-FMN/6UFF-FMN_decoy_scores.csv |
6UG4-CFF | data/6U/6UG4-CFF/6UG4-CFF_ligand.pdbqt | data/6U/6UG4-CFF/6UG4-CFF_target.pdbqt | data/6U/6UG4-CFF/6UG4-CFF_decoys.pdbqt | data/6U/6UG4-CFF/6UG4-CFF_decoy_scores.csv |
6UDT-Q4V | data/6U/6UDT-Q4V/6UDT-Q4V_ligand.pdbqt | data/6U/6UDT-Q4V/6UDT-Q4V_target.pdbqt | data/6U/6UDT-Q4V/6UDT-Q4V_decoys.pdbqt | data/6U/6UDT-Q4V/6UDT-Q4V_decoy_scores.csv |
6U9N-Q34 | data/6U/6U9N-Q34/6U9N-Q34_ligand.pdbqt | data/6U/6U9N-Q34/6U9N-Q34_target.pdbqt | data/6U/6U9N-Q34/6U9N-Q34_decoys.pdbqt | data/6U/6U9N-Q34/6U9N-Q34_decoy_scores.csv |
6U7A-PMP | data/6U/6U7A-PMP/6U7A-PMP_ligand.pdbqt | data/6U/6U7A-PMP/6U7A-PMP_target.pdbqt | data/6U/6U7A-PMP/6U7A-PMP_decoys.pdbqt | data/6U/6U7A-PMP/6U7A-PMP_decoy_scores.csv |
6UT5-GDP | data/6U/6UT5-GDP/6UT5-GDP_ligand.pdbqt | data/6U/6UT5-GDP/6UT5-GDP_target.pdbqt | data/6U/6UT5-GDP/6UT5-GDP_decoys.pdbqt | data/6U/6UT5-GDP/6UT5-GDP_decoy_scores.csv |
6UVK-QHY | data/6U/6UVK-QHY/6UVK-QHY_ligand.pdbqt | data/6U/6UVK-QHY/6UVK-QHY_target.pdbqt | data/6U/6UVK-QHY/6UVK-QHY_decoys.pdbqt | data/6U/6UVK-QHY/6UVK-QHY_decoy_scores.csv |
6UW3-GDP | data/6U/6UW3-GDP/6UW3-GDP_ligand.pdbqt | data/6U/6UW3-GDP/6UW3-GDP_target.pdbqt | data/6U/6UW3-GDP/6UW3-GDP_decoys.pdbqt | data/6U/6UW3-GDP/6UW3-GDP_decoy_scores.csv |
6UVG-QHP | data/6U/6UVG-QHP/6UVG-QHP_ligand.pdbqt | data/6U/6UVG-QHP/6UVG-QHP_target.pdbqt | data/6U/6UVG-QHP/6UVG-QHP_decoys.pdbqt | data/6U/6UVG-QHP/6UVG-QHP_decoy_scores.csv |
6U8L-Q1P | data/6U/6U8L-Q1P/6U8L-Q1P_ligand.pdbqt | data/6U/6U8L-Q1P/6U8L-Q1P_target.pdbqt | data/6U/6U8L-Q1P/6U8L-Q1P_decoys.pdbqt | data/6U/6U8L-Q1P/6U8L-Q1P_decoy_scores.csv |
6U0W-THP | data/6U/6U0W-THP/6U0W-THP_ligand.pdbqt | data/6U/6U0W-THP/6U0W-THP_target.pdbqt | data/6U/6U0W-THP/6U0W-THP_decoys.pdbqt | data/6U/6U0W-THP/6U0W-THP_decoy_scores.csv |
6UH0-PX7 | data/6U/6UH0-PX7/6UH0-PX7_ligand.pdbqt | data/6U/6UH0-PX7/6UH0-PX7_target.pdbqt | data/6U/6UH0-PX7/6UH0-PX7_decoys.pdbqt | data/6U/6UH0-PX7/6UH0-PX7_decoy_scores.csv |
6USU-GLU | data/6U/6USU-GLU/6USU-GLU_ligand.pdbqt | data/6U/6USU-GLU/6USU-GLU_target.pdbqt | data/6U/6USU-GLU/6USU-GLU_decoys.pdbqt | data/6U/6USU-GLU/6USU-GLU_decoy_scores.csv |
6UMZ-QBV | data/6U/6UMZ-QBV/6UMZ-QBV_ligand.pdbqt | data/6U/6UMZ-QBV/6UMZ-QBV_target.pdbqt | data/6U/6UMZ-QBV/6UMZ-QBV_decoys.pdbqt | data/6U/6UMZ-QBV/6UMZ-QBV_decoy_scores.csv |
6UDU-Q4Y | data/6U/6UDU-Q4Y/6UDU-Q4Y_ligand.pdbqt | data/6U/6UDU-Q4Y/6UDU-Q4Y_target.pdbqt | data/6U/6UDU-Q4Y/6UDU-Q4Y_decoys.pdbqt | data/6U/6UDU-Q4Y/6UDU-Q4Y_decoy_scores.csv |
6U9R-Q2P | data/6U/6U9R-Q2P/6U9R-Q2P_ligand.pdbqt | data/6U/6U9R-Q2P/6U9R-Q2P_target.pdbqt | data/6U/6U9R-Q2P/6U9R-Q2P_decoys.pdbqt | data/6U/6U9R-Q2P/6U9R-Q2P_decoy_scores.csv |
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