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 ⌀ |
|---|---|---|---|---|
2WI6-ZZ6 | data/2W/2WI6-ZZ6/2WI6-ZZ6_ligand.pdbqt | data/2W/2WI6-ZZ6/2WI6-ZZ6_target.pdbqt | data/2W/2WI6-ZZ6/2WI6-ZZ6_decoys.pdbqt | data/2W/2WI6-ZZ6/2WI6-ZZ6_decoy_scores.csv |
2W5S-GP9 | data/2W/2W5S-GP9/2W5S-GP9_ligand.pdbqt | data/2W/2W5S-GP9/2W5S-GP9_target.pdbqt | data/2W/2W5S-GP9/2W5S-GP9_decoys.pdbqt | data/2W/2W5S-GP9/2W5S-GP9_decoy_scores.csv |
2WHF-II4 | data/2W/2WHF-II4/2WHF-II4_ligand.pdbqt | data/2W/2WHF-II4/2WHF-II4_target.pdbqt | data/2W/2WHF-II4/2WHF-II4_decoys.pdbqt | data/2W/2WHF-II4/2WHF-II4_decoy_scores.csv |
2W0D-CGS | data/2W/2W0D-CGS/2W0D-CGS_ligand.pdbqt | data/2W/2W0D-CGS/2W0D-CGS_target.pdbqt | data/2W/2W0D-CGS/2W0D-CGS_decoys.pdbqt | data/2W/2W0D-CGS/2W0D-CGS_decoy_scores.csv |
2W9S-TOP | data/2W/2W9S-TOP/2W9S-TOP_ligand.pdbqt | data/2W/2W9S-TOP/2W9S-TOP_target.pdbqt | data/2W/2W9S-TOP/2W9S-TOP_decoys.pdbqt | data/2W/2W9S-TOP/2W9S-TOP_decoy_scores.csv |
2WHO-VGI | data/2W/2WHO-VGI/2WHO-VGI_ligand.pdbqt | data/2W/2WHO-VGI/2WHO-VGI_target.pdbqt | data/2W/2WHO-VGI/2WHO-VGI_decoys.pdbqt | data/2W/2WHO-VGI/2WHO-VGI_decoy_scores.csv |
2W2I-PD2 | data/2W/2W2I-PD2/2W2I-PD2_ligand.pdbqt | data/2W/2W2I-PD2/2W2I-PD2_target.pdbqt | data/2W/2W2I-PD2/2W2I-PD2_decoys.pdbqt | data/2W/2W2I-PD2/2W2I-PD2_decoy_scores.csv |
2WM3-NFL | data/2W/2WM3-NFL/2WM3-NFL_ligand.pdbqt | data/2W/2WM3-NFL/2WM3-NFL_target.pdbqt | data/2W/2WM3-NFL/2WM3-NFL_decoys.pdbqt | data/2W/2WM3-NFL/2WM3-NFL_decoy_scores.csv |
2WOQ-AYC | data/2W/2WOQ-AYC/2WOQ-AYC_ligand.pdbqt | data/2W/2WOQ-AYC/2WOQ-AYC_target.pdbqt | data/2W/2WOQ-AYC/2WOQ-AYC_decoys.pdbqt | data/2W/2WOQ-AYC/2WOQ-AYC_decoy_scores.csv |
2WNC-TKT | data/2W/2WNC-TKT/2WNC-TKT_ligand.pdbqt | data/2W/2WNC-TKT/2WNC-TKT_target.pdbqt | data/2W/2WNC-TKT/2WNC-TKT_decoys.pdbqt | data/2W/2WNC-TKT/2WNC-TKT_decoy_scores.csv |
2W3W-VG9 | data/2W/2W3W-VG9/2W3W-VG9_ligand.pdbqt | data/2W/2W3W-VG9/2W3W-VG9_target.pdbqt | data/2W/2W3W-VG9/2W3W-VG9_decoys.pdbqt | data/2W/2W3W-VG9/2W3W-VG9_decoy_scores.csv |
2WEP-ADP | data/2W/2WEP-ADP/2WEP-ADP_ligand.pdbqt | data/2W/2WEP-ADP/2WEP-ADP_target.pdbqt | data/2W/2WEP-ADP/2WEP-ADP_decoys.pdbqt | data/2W/2WEP-ADP/2WEP-ADP_decoy_scores.csv |
2WZV-FMN | data/2W/2WZV-FMN/2WZV-FMN_ligand.pdbqt | data/2W/2WZV-FMN/2WZV-FMN_target.pdbqt | data/2W/2WZV-FMN/2WZV-FMN_decoys.pdbqt | data/2W/2WZV-FMN/2WZV-FMN_decoy_scores.csv |
2W5Y-SAH | data/2W/2W5Y-SAH/2W5Y-SAH_ligand.pdbqt | data/2W/2W5Y-SAH/2W5Y-SAH_target.pdbqt | data/2W/2W5Y-SAH/2W5Y-SAH_decoys.pdbqt | data/2W/2W5Y-SAH/2W5Y-SAH_decoy_scores.csv |
2WW4-ADP | data/2W/2WW4-ADP/2WW4-ADP_ligand.pdbqt | data/2W/2WW4-ADP/2WW4-ADP_target.pdbqt | data/2W/2WW4-ADP/2WW4-ADP_decoys.pdbqt | data/2W/2WW4-ADP/2WW4-ADP_decoy_scores.csv |
2W1Q-BTB | data/2W/2W1Q-BTB/2W1Q-BTB_ligand.pdbqt | data/2W/2W1Q-BTB/2W1Q-BTB_target.pdbqt | data/2W/2W1Q-BTB/2W1Q-BTB_decoys.pdbqt | data/2W/2W1Q-BTB/2W1Q-BTB_decoy_scores.csv |
2WOT-ZZG | data/2W/2WOT-ZZG/2WOT-ZZG_ligand.pdbqt | data/2W/2WOT-ZZG/2WOT-ZZG_target.pdbqt | data/2W/2WOT-ZZG/2WOT-ZZG_decoys.pdbqt | data/2W/2WOT-ZZG/2WOT-ZZG_decoy_scores.csv |
2WEX-GYM | data/2W/2WEX-GYM/2WEX-GYM_ligand.pdbqt | data/2W/2WEX-GYM/2WEX-GYM_target.pdbqt | data/2W/2WEX-GYM/2WEX-GYM_decoys.pdbqt | data/2W/2WEX-GYM/2WEX-GYM_decoy_scores.csv |
2WWG-ADP | data/2W/2WWG-ADP/2WWG-ADP_ligand.pdbqt | data/2W/2WWG-ADP/2WWG-ADP_target.pdbqt | data/2W/2WWG-ADP/2WWG-ADP_decoys.pdbqt | data/2W/2WWG-ADP/2WWG-ADP_decoy_scores.csv |
2W4J-ADP | data/2W/2W4J-ADP/2W4J-ADP_ligand.pdbqt | data/2W/2W4J-ADP/2W4J-ADP_target.pdbqt | data/2W/2W4J-ADP/2W4J-ADP_decoys.pdbqt | data/2W/2W4J-ADP/2W4J-ADP_decoy_scores.csv |
2WC3-AM3 | data/2W/2WC3-AM3/2WC3-AM3_ligand.pdbqt | data/2W/2WC3-AM3/2WC3-AM3_target.pdbqt | data/2W/2WC3-AM3/2WC3-AM3_decoys.pdbqt | data/2W/2WC3-AM3/2WC3-AM3_decoy_scores.csv |
2WJO-QUD | data/2W/2WJO-QUD/2WJO-QUD_ligand.pdbqt | data/2W/2WJO-QUD/2WJO-QUD_target.pdbqt | data/2W/2WJO-QUD/2WJO-QUD_decoys.pdbqt | data/2W/2WJO-QUD/2WJO-QUD_decoy_scores.csv |
2WZC-3PG | data/2W/2WZC-3PG/2WZC-3PG_ligand.pdbqt | data/2W/2WZC-3PG/2WZC-3PG_target.pdbqt | null | null |
2WTV-ZZL | data/2W/2WTV-ZZL/2WTV-ZZL_ligand.pdbqt | data/2W/2WTV-ZZL/2WTV-ZZL_target.pdbqt | data/2W/2WTV-ZZL/2WTV-ZZL_decoys.pdbqt | data/2W/2WTV-ZZL/2WTV-ZZL_decoy_scores.csv |
2WRM-QQ3 | data/2W/2WRM-QQ3/2WRM-QQ3_ligand.pdbqt | data/2W/2WRM-QQ3/2WRM-QQ3_target.pdbqt | data/2W/2WRM-QQ3/2WRM-QQ3_decoys.pdbqt | data/2W/2WRM-QQ3/2WRM-QQ3_decoy_scores.csv |
2WTN-FER | data/2W/2WTN-FER/2WTN-FER_ligand.pdbqt | data/2W/2WTN-FER/2WTN-FER_target.pdbqt | data/2W/2WTN-FER/2WTN-FER_decoys.pdbqt | data/2W/2WTN-FER/2WTN-FER_decoy_scores.csv |
2WLZ-NGT | data/2W/2WLZ-NGT/2WLZ-NGT_ligand.pdbqt | data/2W/2WLZ-NGT/2WLZ-NGT_target.pdbqt | data/2W/2WLZ-NGT/2WLZ-NGT_decoys.pdbqt | data/2W/2WLZ-NGT/2WLZ-NGT_decoy_scores.csv |
2W13-WR2 | data/2W/2W13-WR2/2W13-WR2_ligand.pdbqt | data/2W/2W13-WR2/2W13-WR2_target.pdbqt | data/2W/2W13-WR2/2W13-WR2_decoys.pdbqt | data/2W/2W13-WR2/2W13-WR2_decoy_scores.csv |
2WYZ-U5P | data/2W/2WYZ-U5P/2WYZ-U5P_ligand.pdbqt | data/2W/2WYZ-U5P/2WYZ-U5P_target.pdbqt | data/2W/2WYZ-U5P/2WYZ-U5P_decoys.pdbqt | data/2W/2WYZ-U5P/2WYZ-U5P_decoy_scores.csv |
2WGZ-147 | data/2W/2WGZ-147/2WGZ-147_ligand.pdbqt | data/2W/2WGZ-147/2WGZ-147_target.pdbqt | data/2W/2WGZ-147/2WGZ-147_decoys.pdbqt | data/2W/2WGZ-147/2WGZ-147_decoy_scores.csv |
2W06-FRV | data/2W/2W06-FRV/2W06-FRV_ligand.pdbqt | data/2W/2W06-FRV/2W06-FRV_target.pdbqt | data/2W/2W06-FRV/2W06-FRV_decoys.pdbqt | data/2W/2W06-FRV/2W06-FRV_decoy_scores.csv |
2WHI-1AZ | data/2W/2WHI-1AZ/2WHI-1AZ_ligand.pdbqt | data/2W/2WHI-1AZ/2WHI-1AZ_target.pdbqt | data/2W/2WHI-1AZ/2WHI-1AZ_decoys.pdbqt | data/2W/2WHI-1AZ/2WHI-1AZ_decoy_scores.csv |
2WGJ-VGH | data/2W/2WGJ-VGH/2WGJ-VGH_ligand.pdbqt | data/2W/2WGJ-VGH/2WGJ-VGH_target.pdbqt | data/2W/2WGJ-VGH/2WGJ-VGH_decoys.pdbqt | data/2W/2WGJ-VGH/2WGJ-VGH_decoy_scores.csv |
2WTJ-WTJ | data/2W/2WTJ-WTJ/2WTJ-WTJ_ligand.pdbqt | data/2W/2WTJ-WTJ/2WTJ-WTJ_target.pdbqt | data/2W/2WTJ-WTJ/2WTJ-WTJ_decoys.pdbqt | data/2W/2WTJ-WTJ/2WTJ-WTJ_decoy_scores.csv |
2WEV-CK7 | data/2W/2WEV-CK7/2WEV-CK7_ligand.pdbqt | data/2W/2WEV-CK7/2WEV-CK7_target.pdbqt | data/2W/2WEV-CK7/2WEV-CK7_decoys.pdbqt | data/2W/2WEV-CK7/2WEV-CK7_decoy_scores.csv |
2WB5-VGB | data/2W/2WB5-VGB/2WB5-VGB_ligand.pdbqt | data/2W/2WB5-VGB/2WB5-VGB_target.pdbqt | data/2W/2WB5-VGB/2WB5-VGB_decoys.pdbqt | data/2W/2WB5-VGB/2WB5-VGB_decoy_scores.csv |
2WGZ-UDP | data/2W/2WGZ-UDP/2WGZ-UDP_ligand.pdbqt | data/2W/2WGZ-UDP/2WGZ-UDP_target.pdbqt | data/2W/2WGZ-UDP/2WGZ-UDP_decoys.pdbqt | data/2W/2WGZ-UDP/2WGZ-UDP_decoy_scores.csv |
2WV8-DDQ | data/2W/2WV8-DDQ/2WV8-DDQ_ligand.pdbqt | data/2W/2WV8-DDQ/2WV8-DDQ_target.pdbqt | data/2W/2WV8-DDQ/2WV8-DDQ_decoys.pdbqt | data/2W/2WV8-DDQ/2WV8-DDQ_decoy_scores.csv |
2WJL-RET | data/2W/2WJL-RET/2WJL-RET_ligand.pdbqt | data/2W/2WJL-RET/2WJL-RET_target.pdbqt | data/2W/2WJL-RET/2WJL-RET_decoys.pdbqt | data/2W/2WJL-RET/2WJL-RET_decoy_scores.csv |
2WXO-ZZP | data/2W/2WXO-ZZP/2WXO-ZZP_ligand.pdbqt | data/2W/2WXO-ZZP/2WXO-ZZP_target.pdbqt | data/2W/2WXO-ZZP/2WXO-ZZP_decoys.pdbqt | data/2W/2WXO-ZZP/2WXO-ZZP_decoy_scores.csv |
2WOR-2AN | data/2W/2WOR-2AN/2WOR-2AN_ligand.pdbqt | data/2W/2WOR-2AN/2WOR-2AN_target.pdbqt | data/2W/2WOR-2AN/2WOR-2AN_decoys.pdbqt | data/2W/2WOR-2AN/2WOR-2AN_decoy_scores.csv |
2WX9-NGE | data/2W/2WX9-NGE/2WX9-NGE_ligand.pdbqt | data/2W/2WX9-NGE/2WX9-NGE_target.pdbqt | data/2W/2WX9-NGE/2WX9-NGE_decoys.pdbqt | data/2W/2WX9-NGE/2WX9-NGE_decoy_scores.csv |
2WI1-ZZ2 | data/2W/2WI1-ZZ2/2WI1-ZZ2_ligand.pdbqt | data/2W/2WI1-ZZ2/2WI1-ZZ2_target.pdbqt | data/2W/2WI1-ZZ2/2WI1-ZZ2_decoys.pdbqt | data/2W/2WI1-ZZ2/2WI1-ZZ2_decoy_scores.csv |
2W15-WR2 | data/2W/2W15-WR2/2W15-WR2_ligand.pdbqt | data/2W/2W15-WR2/2W15-WR2_target.pdbqt | data/2W/2W15-WR2/2W15-WR2_decoys.pdbqt | data/2W/2W15-WR2/2W15-WR2_decoy_scores.csv |
2W8Y-NDR | data/2W/2W8Y-NDR/2W8Y-NDR_ligand.pdbqt | data/2W/2W8Y-NDR/2W8Y-NDR_target.pdbqt | data/2W/2W8Y-NDR/2W8Y-NDR_decoys.pdbqt | data/2W/2W8Y-NDR/2W8Y-NDR_decoy_scores.csv |
2WZG-UPG | data/2W/2WZG-UPG/2WZG-UPG_ligand.pdbqt | data/2W/2WZG-UPG/2WZG-UPG_target.pdbqt | data/2W/2WZG-UPG/2WZG-UPG_decoys.pdbqt | data/2W/2WZG-UPG/2WZG-UPG_decoy_scores.csv |
2WYJ-898 | data/2W/2WYJ-898/2WYJ-898_ligand.pdbqt | data/2W/2WYJ-898/2WYJ-898_target.pdbqt | data/2W/2WYJ-898/2WYJ-898_decoys.pdbqt | data/2W/2WYJ-898/2WYJ-898_decoy_scores.csv |
2WMV-ZYV | data/2W/2WMV-ZYV/2WMV-ZYV_ligand.pdbqt | data/2W/2WMV-ZYV/2WMV-ZYV_target.pdbqt | data/2W/2WMV-ZYV/2WMV-ZYV_decoys.pdbqt | data/2W/2WMV-ZYV/2WMV-ZYV_decoy_scores.csv |
2WAJ-SNB | data/2W/2WAJ-SNB/2WAJ-SNB_ligand.pdbqt | data/2W/2WAJ-SNB/2WAJ-SNB_target.pdbqt | data/2W/2WAJ-SNB/2WAJ-SNB_decoys.pdbqt | data/2W/2WAJ-SNB/2WAJ-SNB_decoy_scores.csv |
2W6Q-OA5 | data/2W/2W6Q-OA5/2W6Q-OA5_ligand.pdbqt | data/2W/2W6Q-OA5/2W6Q-OA5_target.pdbqt | data/2W/2W6Q-OA5/2W6Q-OA5_decoys.pdbqt | data/2W/2W6Q-OA5/2W6Q-OA5_decoy_scores.csv |
2WYW-TCL | data/2W/2WYW-TCL/2WYW-TCL_ligand.pdbqt | data/2W/2WYW-TCL/2WYW-TCL_target.pdbqt | data/2W/2WYW-TCL/2WYW-TCL_decoys.pdbqt | data/2W/2WYW-TCL/2WYW-TCL_decoy_scores.csv |
2WJM-MQ7 | data/2W/2WJM-MQ7/2WJM-MQ7_ligand.pdbqt | data/2W/2WJM-MQ7/2WJM-MQ7_target.pdbqt | data/2W/2WJM-MQ7/2WJM-MQ7_decoys.pdbqt | data/2W/2WJM-MQ7/2WJM-MQ7_decoy_scores.csv |
2WYC-3LA | data/2W/2WYC-3LA/2WYC-3LA_ligand.pdbqt | data/2W/2WYC-3LA/2WYC-3LA_target.pdbqt | data/2W/2WYC-3LA/2WYC-3LA_decoys.pdbqt | data/2W/2WYC-3LA/2WYC-3LA_decoy_scores.csv |
2WOS-6AN | data/2W/2WOS-6AN/2WOS-6AN_ligand.pdbqt | data/2W/2WOS-6AN/2WOS-6AN_target.pdbqt | data/2W/2WOS-6AN/2WOS-6AN_decoys.pdbqt | data/2W/2WOS-6AN/2WOS-6AN_decoy_scores.csv |
2WU2-CBE | data/2W/2WU2-CBE/2WU2-CBE_ligand.pdbqt | data/2W/2WU2-CBE/2WU2-CBE_target.pdbqt | data/2W/2WU2-CBE/2WU2-CBE_decoys.pdbqt | data/2W/2WU2-CBE/2WU2-CBE_decoy_scores.csv |
3K1J-PE8 | data/3K/3K1J-PE8/3K1J-PE8_ligand.pdbqt | data/3K/3K1J-PE8/3K1J-PE8_target.pdbqt | data/3K/3K1J-PE8/3K1J-PE8_decoys.pdbqt | data/3K/3K1J-PE8/3K1J-PE8_decoy_scores.csv |
3KSL-SZH | data/3K/3KSL-SZH/3KSL-SZH_ligand.pdbqt | data/3K/3KSL-SZH/3KSL-SZH_target.pdbqt | data/3K/3KSL-SZH/3KSL-SZH_decoys.pdbqt | data/3K/3KSL-SZH/3KSL-SZH_decoy_scores.csv |
3KCE-12P | data/3K/3KCE-12P/3KCE-12P_ligand.pdbqt | data/3K/3KCE-12P/3KCE-12P_target.pdbqt | data/3K/3KCE-12P/3KCE-12P_decoys.pdbqt | data/3K/3KCE-12P/3KCE-12P_decoy_scores.csv |
3K4D-EVA | data/3K/3K4D-EVA/3K4D-EVA_ligand.pdbqt | data/3K/3K4D-EVA/3K4D-EVA_target.pdbqt | data/3K/3K4D-EVA/3K4D-EVA_decoys.pdbqt | data/3K/3K4D-EVA/3K4D-EVA_decoy_scores.csv |
3K2H-LYA | data/3K/3K2H-LYA/3K2H-LYA_ligand.pdbqt | data/3K/3K2H-LYA/3K2H-LYA_target.pdbqt | data/3K/3K2H-LYA/3K2H-LYA_decoys.pdbqt | data/3K/3K2H-LYA/3K2H-LYA_decoy_scores.csv |
3KVM-FMN | data/3K/3KVM-FMN/3KVM-FMN_ligand.pdbqt | data/3K/3KVM-FMN/3KVM-FMN_target.pdbqt | data/3K/3KVM-FMN/3KVM-FMN_decoys.pdbqt | data/3K/3KVM-FMN/3KVM-FMN_decoy_scores.csv |
3KIH-GDL | data/3K/3KIH-GDL/3KIH-GDL_ligand.pdbqt | data/3K/3KIH-GDL/3KIH-GDL_target.pdbqt | data/3K/3KIH-GDL/3KIH-GDL_decoys.pdbqt | data/3K/3KIH-GDL/3KIH-GDL_decoy_scores.csv |
3KVM-951 | data/3K/3KVM-951/3KVM-951_ligand.pdbqt | data/3K/3KVM-951/3KVM-951_target.pdbqt | data/3K/3KVM-951/3KVM-951_decoys.pdbqt | data/3K/3KVM-951/3KVM-951_decoy_scores.csv |
3KR6-UD1 | data/3K/3KR6-UD1/3KR6-UD1_ligand.pdbqt | data/3K/3KR6-UD1/3KR6-UD1_target.pdbqt | data/3K/3KR6-UD1/3KR6-UD1_decoys.pdbqt | data/3K/3KR6-UD1/3KR6-UD1_decoy_scores.csv |
3KDM-TES | data/3K/3KDM-TES/3KDM-TES_ligand.pdbqt | data/3K/3KDM-TES/3KDM-TES_target.pdbqt | data/3K/3KDM-TES/3KDM-TES_decoys.pdbqt | data/3K/3KDM-TES/3KDM-TES_decoy_scores.csv |
3KYF-5GP | data/3K/3KYF-5GP/3KYF-5GP_ligand.pdbqt | data/3K/3KYF-5GP/3KYF-5GP_target.pdbqt | data/3K/3KYF-5GP/3KYF-5GP_decoys.pdbqt | data/3K/3KYF-5GP/3KYF-5GP_decoy_scores.csv |
3KPU-ES1 | data/3K/3KPU-ES1/3KPU-ES1_ligand.pdbqt | data/3K/3KPU-ES1/3KPU-ES1_target.pdbqt | data/3K/3KPU-ES1/3KPU-ES1_decoys.pdbqt | data/3K/3KPU-ES1/3KPU-ES1_decoy_scores.csv |
3KAB-4BL | data/3K/3KAB-4BL/3KAB-4BL_ligand.pdbqt | data/3K/3KAB-4BL/3KAB-4BL_target.pdbqt | data/3K/3KAB-4BL/3KAB-4BL_decoys.pdbqt | data/3K/3KAB-4BL/3KAB-4BL_decoy_scores.csv |
3K8X-B89 | data/3K/3K8X-B89/3K8X-B89_ligand.pdbqt | data/3K/3K8X-B89/3K8X-B89_target.pdbqt | data/3K/3K8X-B89/3K8X-B89_decoys.pdbqt | data/3K/3K8X-B89/3K8X-B89_decoy_scores.csv |
3KRU-FMN | data/3K/3KRU-FMN/3KRU-FMN_ligand.pdbqt | data/3K/3KRU-FMN/3KRU-FMN_target.pdbqt | data/3K/3KRU-FMN/3KRU-FMN_decoys.pdbqt | data/3K/3KRU-FMN/3KRU-FMN_decoy_scores.csv |
3K60-ADP | data/3K/3K60-ADP/3K60-ADP_ligand.pdbqt | data/3K/3K60-ADP/3K60-ADP_target.pdbqt | data/3K/3K60-ADP/3K60-ADP_decoys.pdbqt | data/3K/3K60-ADP/3K60-ADP_decoy_scores.csv |
3KUH-APC | data/3K/3KUH-APC/3KUH-APC_ligand.pdbqt | data/3K/3KUH-APC/3KUH-APC_target.pdbqt | data/3K/3KUH-APC/3KUH-APC_decoys.pdbqt | data/3K/3KUH-APC/3KUH-APC_decoy_scores.csv |
3K4V-ROC | data/3K/3K4V-ROC/3K4V-ROC_ligand.pdbqt | data/3K/3K4V-ROC/3K4V-ROC_target.pdbqt | data/3K/3K4V-ROC/3K4V-ROC_decoys.pdbqt | data/3K/3K4V-ROC/3K4V-ROC_decoy_scores.csv |
3KEN-ADP | data/3K/3KEN-ADP/3KEN-ADP_ligand.pdbqt | data/3K/3KEN-ADP/3KEN-ADP_target.pdbqt | data/3K/3KEN-ADP/3KEN-ADP_decoys.pdbqt | data/3K/3KEN-ADP/3KEN-ADP_decoy_scores.csv |
3K5E-ADP | data/3K/3K5E-ADP/3K5E-ADP_ligand.pdbqt | data/3K/3K5E-ADP/3K5E-ADP_target.pdbqt | data/3K/3K5E-ADP/3K5E-ADP_decoys.pdbqt | data/3K/3K5E-ADP/3K5E-ADP_decoy_scores.csv |
3K5V-STI | data/3K/3K5V-STI/3K5V-STI_ligand.pdbqt | data/3K/3K5V-STI/3K5V-STI_target.pdbqt | data/3K/3K5V-STI/3K5V-STI_decoys.pdbqt | data/3K/3K5V-STI/3K5V-STI_decoy_scores.csv |
3KDO-CAP | data/3K/3KDO-CAP/3KDO-CAP_ligand.pdbqt | data/3K/3KDO-CAP/3KDO-CAP_target.pdbqt | data/3K/3KDO-CAP/3KDO-CAP_decoys.pdbqt | data/3K/3KDO-CAP/3KDO-CAP_decoy_scores.csv |
3KN5-ANP | data/3K/3KN5-ANP/3KN5-ANP_ligand.pdbqt | data/3K/3KN5-ANP/3KN5-ANP_target.pdbqt | data/3K/3KN5-ANP/3KN5-ANP_decoys.pdbqt | data/3K/3KN5-ANP/3KN5-ANP_decoy_scores.csv |
3KQC-LGK | data/3K/3KQC-LGK/3KQC-LGK_ligand.pdbqt | data/3K/3KQC-LGK/3KQC-LGK_target.pdbqt | data/3K/3KQC-LGK/3KQC-LGK_decoys.pdbqt | data/3K/3KQC-LGK/3KQC-LGK_decoy_scores.csv |
3KMX-G00 | data/3K/3KMX-G00/3KMX-G00_ligand.pdbqt | data/3K/3KMX-G00/3KMX-G00_target.pdbqt | data/3K/3KMX-G00/3KMX-G00_decoys.pdbqt | data/3K/3KMX-G00/3KMX-G00_decoy_scores.csv |
3KQY-ES0 | data/3K/3KQY-ES0/3KQY-ES0_ligand.pdbqt | data/3K/3KQY-ES0/3KQY-ES0_target.pdbqt | data/3K/3KQY-ES0/3KQY-ES0_decoys.pdbqt | data/3K/3KQY-ES0/3KQY-ES0_decoy_scores.csv |
3KJD-78P | data/3K/3KJD-78P/3KJD-78P_ligand.pdbqt | data/3K/3KJD-78P/3KJD-78P_target.pdbqt | data/3K/3KJD-78P/3KJD-78P_decoys.pdbqt | data/3K/3KJD-78P/3KJD-78P_decoy_scores.csv |
3KO7-DLY | data/3K/3KO7-DLY/3KO7-DLY_ligand.pdbqt | data/3K/3KO7-DLY/3KO7-DLY_target.pdbqt | data/3K/3KO7-DLY/3KO7-DLY_decoys.pdbqt | data/3K/3KO7-DLY/3KO7-DLY_decoy_scores.csv |
3K5I-ADP | data/3K/3K5I-ADP/3K5I-ADP_ligand.pdbqt | data/3K/3K5I-ADP/3K5I-ADP_target.pdbqt | data/3K/3K5I-ADP/3K5I-ADP_decoys.pdbqt | data/3K/3K5I-ADP/3K5I-ADP_decoy_scores.csv |
3KGF-TRP | data/3K/3KGF-TRP/3KGF-TRP_ligand.pdbqt | data/3K/3KGF-TRP/3KGF-TRP_target.pdbqt | data/3K/3KGF-TRP/3KGF-TRP_decoys.pdbqt | data/3K/3KGF-TRP/3KGF-TRP_decoy_scores.csv |
3K8O-229 | data/3K/3K8O-229/3K8O-229_ligand.pdbqt | data/3K/3K8O-229/3K8O-229_target.pdbqt | data/3K/3K8O-229/3K8O-229_decoys.pdbqt | data/3K/3K8O-229/3K8O-229_decoy_scores.csv |
3KMC-403 | data/3K/3KMC-403/3KMC-403_ligand.pdbqt | data/3K/3KMC-403/3KMC-403_target.pdbqt | data/3K/3KMC-403/3KMC-403_decoys.pdbqt | data/3K/3KMC-403/3KMC-403_decoy_scores.csv |
3KR1-VGD | data/3K/3KR1-VGD/3KR1-VGD_ligand.pdbqt | data/3K/3KR1-VGD/3KR1-VGD_target.pdbqt | data/3K/3KR1-VGD/3KR1-VGD_decoys.pdbqt | data/3K/3KR1-VGD/3KR1-VGD_decoy_scores.csv |
3K4M-SHG | data/3K/3K4M-SHG/3K4M-SHG_ligand.pdbqt | data/3K/3K4M-SHG/3K4M-SHG_target.pdbqt | data/3K/3K4M-SHG/3K4M-SHG_decoys.pdbqt | data/3K/3K4M-SHG/3K4M-SHG_decoy_scores.csv |
3KDN-CAP | data/3K/3KDN-CAP/3KDN-CAP_ligand.pdbqt | data/3K/3KDN-CAP/3KDN-CAP_target.pdbqt | data/3K/3KDN-CAP/3KDN-CAP_decoys.pdbqt | data/3K/3KDN-CAP/3KDN-CAP_decoy_scores.csv |
3KCU-MA5 | data/3K/3KCU-MA5/3KCU-MA5_ligand.pdbqt | data/3K/3KCU-MA5/3KCU-MA5_target.pdbqt | data/3K/3KCU-MA5/3KCU-MA5_decoys.pdbqt | data/3K/3KCU-MA5/3KCU-MA5_decoy_scores.csv |
3KMT-SAH | data/3K/3KMT-SAH/3KMT-SAH_ligand.pdbqt | data/3K/3KMT-SAH/3KMT-SAH_target.pdbqt | data/3K/3KMT-SAH/3KMT-SAH_decoys.pdbqt | data/3K/3KMT-SAH/3KMT-SAH_decoy_scores.csv |
3KC1-2T6 | data/3K/3KC1-2T6/3KC1-2T6_ligand.pdbqt | data/3K/3KC1-2T6/3KC1-2T6_target.pdbqt | data/3K/3KC1-2T6/3KC1-2T6_decoys.pdbqt | data/3K/3KC1-2T6/3KC1-2T6_decoy_scores.csv |
3KRY-3KR | data/3K/3KRY-3KR/3KRY-3KR_ligand.pdbqt | data/3K/3KRY-3KR/3KRY-3KR_target.pdbqt | data/3K/3KRY-3KR/3KRY-3KR_decoys.pdbqt | data/3K/3KRY-3KR/3KRY-3KR_decoy_scores.csv |
3KVK-DOR | data/3K/3KVK-DOR/3KVK-DOR_ligand.pdbqt | data/3K/3KVK-DOR/3KVK-DOR_target.pdbqt | data/3K/3KVK-DOR/3KVK-DOR_decoys.pdbqt | data/3K/3KVK-DOR/3KVK-DOR_decoy_scores.csv |
3KE7-BCN | data/3K/3KE7-BCN/3KE7-BCN_ligand.pdbqt | data/3K/3KE7-BCN/3KE7-BCN_target.pdbqt | data/3K/3KE7-BCN/3KE7-BCN_decoys.pdbqt | data/3K/3KE7-BCN/3KE7-BCN_decoy_scores.csv |
3KAI-12P | data/3K/3KAI-12P/3KAI-12P_ligand.pdbqt | data/3K/3KAI-12P/3KAI-12P_target.pdbqt | data/3K/3KAI-12P/3KAI-12P_decoys.pdbqt | data/3K/3KAI-12P/3KAI-12P_decoy_scores.csv |
3K83-F27 | data/3K/3K83-F27/3K83-F27_ligand.pdbqt | data/3K/3K83-F27/3K83-F27_target.pdbqt | data/3K/3K83-F27/3K83-F27_decoys.pdbqt | data/3K/3K83-F27/3K83-F27_decoy_scores.csv |
3KUC-GDP | data/3K/3KUC-GDP/3KUC-GDP_ligand.pdbqt | data/3K/3KUC-GDP/3KUC-GDP_target.pdbqt | data/3K/3KUC-GDP/3KUC-GDP_decoys.pdbqt | data/3K/3KUC-GDP/3KUC-GDP_decoy_scores.csv |
3K1G-TYR | data/3K/3K1G-TYR/3K1G-TYR_ligand.pdbqt | data/3K/3K1G-TYR/3K1G-TYR_target.pdbqt | data/3K/3K1G-TYR/3K1G-TYR_decoys.pdbqt | data/3K/3K1G-TYR/3K1G-TYR_decoy_scores.csv |
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