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 ⌀ |
|---|---|---|---|---|
3WB2-GDP | data/3W/3WB2-GDP/3WB2-GDP_ligand.pdbqt | data/3W/3WB2-GDP/3WB2-GDP_target.pdbqt | data/3W/3WB2-GDP/3WB2-GDP_decoys.pdbqt | data/3W/3WB2-GDP/3WB2-GDP_decoy_scores.csv |
3WQQ-IB3 | data/3W/3WQQ-IB3/3WQQ-IB3_ligand.pdbqt | data/3W/3WQQ-IB3/3WQQ-IB3_target.pdbqt | data/3W/3WQQ-IB3/3WQQ-IB3_decoys.pdbqt | data/3W/3WQQ-IB3/3WQQ-IB3_decoy_scores.csv |
3W34-ACP | data/3W/3W34-ACP/3W34-ACP_ligand.pdbqt | data/3W/3W34-ACP/3W34-ACP_target.pdbqt | data/3W/3W34-ACP/3W34-ACP_decoys.pdbqt | data/3W/3W34-ACP/3W34-ACP_decoy_scores.csv |
3W69-LTZ | data/3W/3W69-LTZ/3W69-LTZ_ligand.pdbqt | data/3W/3W69-LTZ/3W69-LTZ_target.pdbqt | data/3W/3W69-LTZ/3W69-LTZ_decoys.pdbqt | data/3W/3W69-LTZ/3W69-LTZ_decoy_scores.csv |
3WH2-FLC | data/3W/3WH2-FLC/3WH2-FLC_ligand.pdbqt | data/3W/3WH2-FLC/3WH2-FLC_target.pdbqt | data/3W/3WH2-FLC/3WH2-FLC_decoys.pdbqt | data/3W/3WH2-FLC/3WH2-FLC_decoy_scores.csv |
3WIE-BGC | data/3W/3WIE-BGC/3WIE-BGC_ligand.pdbqt | data/3W/3WIE-BGC/3WIE-BGC_target.pdbqt | data/3W/3WIE-BGC/3WIE-BGC_decoys.pdbqt | data/3W/3WIE-BGC/3WIE-BGC_decoy_scores.csv |
3W87-W87 | data/3W/3W87-W87/3W87-W87_ligand.pdbqt | data/3W/3W87-W87/3W87-W87_target.pdbqt | data/3W/3W87-W87/3W87-W87_decoys.pdbqt | data/3W/3W87-W87/3W87-W87_decoy_scores.csv |
3WW1-ROR | data/3W/3WW1-ROR/3WW1-ROR_ligand.pdbqt | data/3W/3WW1-ROR/3WW1-ROR_target.pdbqt | data/3W/3WW1-ROR/3WW1-ROR_decoys.pdbqt | data/3W/3WW1-ROR/3WW1-ROR_decoy_scores.csv |
3W00-FPS | data/3W/3W00-FPS/3W00-FPS_ligand.pdbqt | data/3W/3W00-FPS/3W00-FPS_target.pdbqt | data/3W/3W00-FPS/3W00-FPS_decoys.pdbqt | data/3W/3W00-FPS/3W00-FPS_decoy_scores.csv |
3WK6-S0B | data/3W/3WK6-S0B/3WK6-S0B_ligand.pdbqt | data/3W/3WK6-S0B/3WK6-S0B_target.pdbqt | data/3W/3WK6-S0B/3WK6-S0B_decoys.pdbqt | data/3W/3WK6-S0B/3WK6-S0B_decoy_scores.csv |
3W8R-ACP | data/3W/3W8R-ACP/3W8R-ACP_ligand.pdbqt | data/3W/3W8R-ACP/3W8R-ACP_target.pdbqt | data/3W/3W8R-ACP/3W8R-ACP_decoys.pdbqt | data/3W/3W8R-ACP/3W8R-ACP_decoy_scores.csv |
3W2H-NAD | data/3W/3W2H-NAD/3W2H-NAD_ligand.pdbqt | data/3W/3W2H-NAD/3W2H-NAD_target.pdbqt | data/3W/3W2H-NAD/3W2H-NAD_decoys.pdbqt | data/3W/3W2H-NAD/3W2H-NAD_decoy_scores.csv |
3W1A-FMN | data/3W/3W1A-FMN/3W1A-FMN_ligand.pdbqt | data/3W/3W1A-FMN/3W1A-FMN_target.pdbqt | data/3W/3W1A-FMN/3W1A-FMN_decoys.pdbqt | data/3W/3W1A-FMN/3W1A-FMN_decoy_scores.csv |
3WRG-FUB | data/3W/3WRG-FUB/3WRG-FUB_ligand.pdbqt | data/3W/3WRG-FUB/3WRG-FUB_target.pdbqt | data/3W/3WRG-FUB/3WRG-FUB_decoys.pdbqt | data/3W/3WRG-FUB/3WRG-FUB_decoy_scores.csv |
3W1P-FMN | data/3W/3W1P-FMN/3W1P-FMN_ligand.pdbqt | data/3W/3W1P-FMN/3W1P-FMN_target.pdbqt | data/3W/3W1P-FMN/3W1P-FMN_decoys.pdbqt | data/3W/3W1P-FMN/3W1P-FMN_decoy_scores.csv |
3WJR-BEN | data/3W/3WJR-BEN/3WJR-BEN_ligand.pdbqt | data/3W/3WJR-BEN/3WJR-BEN_target.pdbqt | data/3W/3WJR-BEN/3WJR-BEN_decoys.pdbqt | data/3W/3WJR-BEN/3WJR-BEN_decoy_scores.csv |
3WNT-9BE | data/3W/3WNT-9BE/3WNT-9BE_ligand.pdbqt | data/3W/3WNT-9BE/3WNT-9BE_target.pdbqt | data/3W/3WNT-9BE/3WNT-9BE_decoys.pdbqt | data/3W/3WNT-9BE/3WNT-9BE_decoy_scores.csv |
3WI1-MGT | data/3W/3WI1-MGT/3WI1-MGT_ligand.pdbqt | data/3W/3WI1-MGT/3WI1-MGT_target.pdbqt | data/3W/3WI1-MGT/3WI1-MGT_decoys.pdbqt | data/3W/3WI1-MGT/3WI1-MGT_decoy_scores.csv |
3W85-W85 | data/3W/3W85-W85/3W85-W85_ligand.pdbqt | data/3W/3W85-W85/3W85-W85_target.pdbqt | data/3W/3W85-W85/3W85-W85_decoys.pdbqt | data/3W/3W85-W85/3W85-W85_decoy_scores.csv |
3WAB-DDW | data/3W/3WAB-DDW/3WAB-DDW_ligand.pdbqt | data/3W/3WAB-DDW/3WAB-DDW_target.pdbqt | data/3W/3WAB-DDW/3WAB-DDW_decoys.pdbqt | data/3W/3WAB-DDW/3WAB-DDW_decoy_scores.csv |
3WSP-W09 | data/3W/3WSP-W09/3WSP-W09_ligand.pdbqt | data/3W/3WSP-W09/3WSP-W09_target.pdbqt | data/3W/3WSP-W09/3WSP-W09_decoys.pdbqt | data/3W/3WSP-W09/3WSP-W09_decoy_scores.csv |
3WRJ-CAM | data/3W/3WRJ-CAM/3WRJ-CAM_ligand.pdbqt | data/3W/3WRJ-CAM/3WRJ-CAM_target.pdbqt | data/3W/3WRJ-CAM/3WRJ-CAM_decoys.pdbqt | data/3W/3WRJ-CAM/3WRJ-CAM_decoy_scores.csv |
3WJB-P6G | data/3W/3WJB-P6G/3WJB-P6G_ligand.pdbqt | data/3W/3WJB-P6G/3WJB-P6G_target.pdbqt | null | null |
3WTM-N1Y | data/3W/3WTM-N1Y/3WTM-N1Y_ligand.pdbqt | data/3W/3WTM-N1Y/3WTM-N1Y_target.pdbqt | data/3W/3WTM-N1Y/3WTM-N1Y_decoys.pdbqt | data/3W/3WTM-N1Y/3WTM-N1Y_decoy_scores.csv |
3WV2-WGG | data/3W/3WV2-WGG/3WV2-WGG_ligand.pdbqt | data/3W/3WV2-WGG/3WV2-WGG_target.pdbqt | data/3W/3WV2-WGG/3WV2-WGG_decoys.pdbqt | data/3W/3WV2-WGG/3WV2-WGG_decoy_scores.csv |
3WVJ-B3P | data/3W/3WVJ-B3P/3WVJ-B3P_ligand.pdbqt | data/3W/3WVJ-B3P/3WVJ-B3P_target.pdbqt | data/3W/3WVJ-B3P/3WVJ-B3P_decoys.pdbqt | data/3W/3WVJ-B3P/3WVJ-B3P_decoy_scores.csv |
3W76-W76 | data/3W/3W76-W76/3W76-W76_ligand.pdbqt | data/3W/3W76-W76/3W76-W76_target.pdbqt | data/3W/3W76-W76/3W76-W76_decoys.pdbqt | data/3W/3W76-W76/3W76-W76_decoy_scores.csv |
3WF5-FZ8 | data/3W/3WF5-FZ8/3WF5-FZ8_ligand.pdbqt | data/3W/3WF5-FZ8/3WF5-FZ8_target.pdbqt | data/3W/3WF5-FZ8/3WF5-FZ8_decoys.pdbqt | data/3W/3WF5-FZ8/3WF5-FZ8_decoy_scores.csv |
3W0P-HY0 | data/3W/3W0P-HY0/3W0P-HY0_ligand.pdbqt | data/3W/3W0P-HY0/3W0P-HY0_target.pdbqt | data/3W/3W0P-HY0/3W0P-HY0_decoys.pdbqt | data/3W/3W0P-HY0/3W0P-HY0_decoy_scores.csv |
3WK2-O7M | data/3W/3WK2-O7M/3WK2-O7M_ligand.pdbqt | data/3W/3WK2-O7M/3WK2-O7M_target.pdbqt | data/3W/3WK2-O7M/3WK2-O7M_decoys.pdbqt | data/3W/3WK2-O7M/3WK2-O7M_decoy_scores.csv |
3WD2-A1L | data/3W/3WD2-A1L/3WD2-A1L_ligand.pdbqt | data/3W/3WD2-A1L/3WD2-A1L_target.pdbqt | data/3W/3WD2-A1L/3WD2-A1L_decoys.pdbqt | data/3W/3WD2-A1L/3WD2-A1L_decoy_scores.csv |
3WZQ-P6G | data/3W/3WZQ-P6G/3WZQ-P6G_ligand.pdbqt | data/3W/3WZQ-P6G/3WZQ-P6G_target.pdbqt | data/3W/3WZQ-P6G/3WZQ-P6G_decoys.pdbqt | data/3W/3WZQ-P6G/3WZQ-P6G_decoy_scores.csv |
3WG8-6AS | data/3W/3WG8-6AS/3WG8-6AS_ligand.pdbqt | data/3W/3WG8-6AS/3WG8-6AS_target.pdbqt | data/3W/3WG8-6AS/3WG8-6AS_decoys.pdbqt | data/3W/3WG8-6AS/3WG8-6AS_decoy_scores.csv |
3W5Q-3KL | data/3W/3W5Q-3KL/3W5Q-3KL_ligand.pdbqt | data/3W/3W5Q-3KL/3W5Q-3KL_target.pdbqt | data/3W/3W5Q-3KL/3W5Q-3KL_decoys.pdbqt | data/3W/3W5Q-3KL/3W5Q-3KL_decoy_scores.csv |
3WL8-OCA | data/3W/3WL8-OCA/3WL8-OCA_ligand.pdbqt | data/3W/3WL8-OCA/3WL8-OCA_target.pdbqt | data/3W/3WL8-OCA/3WL8-OCA_decoys.pdbqt | data/3W/3WL8-OCA/3WL8-OCA_decoy_scores.csv |
3WZM-ZER | data/3W/3WZM-ZER/3WZM-ZER_ligand.pdbqt | data/3W/3WZM-ZER/3WZM-ZER_target.pdbqt | data/3W/3WZM-ZER/3WZM-ZER_decoys.pdbqt | data/3W/3WZM-ZER/3WZM-ZER_decoy_scores.csv |
3WRM-CAM | data/3W/3WRM-CAM/3WRM-CAM_ligand.pdbqt | data/3W/3WRM-CAM/3WRM-CAM_target.pdbqt | data/3W/3WRM-CAM/3WRM-CAM_decoys.pdbqt | data/3W/3WRM-CAM/3WRM-CAM_decoy_scores.csv |
3WYF-GTP | data/3W/3WYF-GTP/3WYF-GTP_ligand.pdbqt | data/3W/3WYF-GTP/3WYF-GTP_target.pdbqt | data/3W/3WYF-GTP/3WYF-GTP_decoys.pdbqt | data/3W/3WYF-GTP/3WYF-GTP_decoy_scores.csv |
3WXL-ADP | data/3W/3WXL-ADP/3WXL-ADP_ligand.pdbqt | data/3W/3WXL-ADP/3WXL-ADP_target.pdbqt | data/3W/3WXL-ADP/3WXL-ADP_decoys.pdbqt | data/3W/3WXL-ADP/3WXL-ADP_decoy_scores.csv |
3WK8-S0E | data/3W/3WK8-S0E/3WK8-S0E_ligand.pdbqt | data/3W/3WK8-S0E/3WK8-S0E_target.pdbqt | data/3W/3WK8-S0E/3WK8-S0E_decoys.pdbqt | data/3W/3WK8-S0E/3WK8-S0E_decoy_scores.csv |
3WCP-DG2 | data/3W/3WCP-DG2/3WCP-DG2_ligand.pdbqt | data/3W/3WCP-DG2/3WCP-DG2_target.pdbqt | data/3W/3WCP-DG2/3WCP-DG2_decoys.pdbqt | data/3W/3WCP-DG2/3WCP-DG2_decoy_scores.csv |
3WR3-GDE | data/3W/3WR3-GDE/3WR3-GDE_ligand.pdbqt | data/3W/3WR3-GDE/3WR3-GDE_target.pdbqt | data/3W/3WR3-GDE/3WR3-GDE_decoys.pdbqt | data/3W/3WR3-GDE/3WR3-GDE_decoy_scores.csv |
3WZ6-IXZ | data/3W/3WZ6-IXZ/3WZ6-IXZ_ligand.pdbqt | data/3W/3WZ6-IXZ/3WZ6-IXZ_target.pdbqt | data/3W/3WZ6-IXZ/3WZ6-IXZ_decoys.pdbqt | data/3W/3WZ6-IXZ/3WZ6-IXZ_decoy_scores.csv |
3WR5-NAD | data/3W/3WR5-NAD/3WR5-NAD_ligand.pdbqt | data/3W/3WR5-NAD/3WR5-NAD_target.pdbqt | data/3W/3WR5-NAD/3WR5-NAD_decoys.pdbqt | data/3W/3WR5-NAD/3WR5-NAD_decoy_scores.csv |
3WVS-RRM | data/3W/3WVS-RRM/3WVS-RRM_ligand.pdbqt | data/3W/3WVS-RRM/3WVS-RRM_target.pdbqt | data/3W/3WVS-RRM/3WVS-RRM_decoys.pdbqt | data/3W/3WVS-RRM/3WVS-RRM_decoy_scores.csv |
3W34-CTN | data/3W/3W34-CTN/3W34-CTN_ligand.pdbqt | data/3W/3W34-CTN/3W34-CTN_target.pdbqt | data/3W/3W34-CTN/3W34-CTN_decoys.pdbqt | data/3W/3W34-CTN/3W34-CTN_decoy_scores.csv |
3W7K-W7K | data/3W/3W7K-W7K/3W7K-W7K_ligand.pdbqt | data/3W/3W7K-W7K/3W7K-W7K_target.pdbqt | data/3W/3W7K-W7K/3W7K-W7K_decoys.pdbqt | data/3W/3W7K-W7K/3W7K-W7K_decoy_scores.csv |
3W7H-W7H | data/3W/3W7H-W7H/3W7H-W7H_ligand.pdbqt | data/3W/3W7H-W7H/3W7H-W7H_target.pdbqt | data/3W/3W7H-W7H/3W7H-W7H_decoys.pdbqt | data/3W/3W7H-W7H/3W7H-W7H_decoy_scores.csv |
3W8V-TYZ | data/3W/3W8V-TYZ/3W8V-TYZ_ligand.pdbqt | data/3W/3W8V-TYZ/3W8V-TYZ_target.pdbqt | data/3W/3W8V-TYZ/3W8V-TYZ_decoys.pdbqt | data/3W/3W8V-TYZ/3W8V-TYZ_decoy_scores.csv |
3W84-W8Z | data/3W/3W84-W8Z/3W84-W8Z_ligand.pdbqt | data/3W/3W84-W8Z/3W84-W8Z_target.pdbqt | data/3W/3W84-W8Z/3W84-W8Z_decoys.pdbqt | data/3W/3W84-W8Z/3W84-W8Z_decoy_scores.csv |
3WG7-CHD | data/3W/3WG7-CHD/3WG7-CHD_ligand.pdbqt | data/3W/3WG7-CHD/3WG7-CHD_target.pdbqt | data/3W/3WG7-CHD/3WG7-CHD_decoys.pdbqt | data/3W/3WG7-CHD/3WG7-CHD_decoy_scores.csv |
3WT0-ATP | data/3W/3WT0-ATP/3WT0-ATP_ligand.pdbqt | data/3W/3WT0-ATP/3WT0-ATP_target.pdbqt | data/3W/3WT0-ATP/3WT0-ATP_decoys.pdbqt | data/3W/3WT0-ATP/3WT0-ATP_decoy_scores.csv |
3WU2-BCR | data/3W/3WU2-BCR/3WU2-BCR_ligand.pdbqt | data/3W/3WU2-BCR/3WU2-BCR_target.pdbqt | data/3W/3WU2-BCR/3WU2-BCR_decoys.pdbqt | data/3W/3WU2-BCR/3WU2-BCR_decoy_scores.csv |
3WEI-PS7 | data/3W/3WEI-PS7/3WEI-PS7_ligand.pdbqt | data/3W/3WEI-PS7/3WEI-PS7_target.pdbqt | data/3W/3WEI-PS7/3WEI-PS7_decoys.pdbqt | data/3W/3WEI-PS7/3WEI-PS7_decoy_scores.csv |
3WZW-IPM | data/3W/3WZW-IPM/3WZW-IPM_ligand.pdbqt | data/3W/3WZW-IPM/3WZW-IPM_target.pdbqt | data/3W/3WZW-IPM/3WZW-IPM_decoys.pdbqt | data/3W/3WZW-IPM/3WZW-IPM_decoy_scores.csv |
3W6S-P6G | data/3W/3W6S-P6G/3W6S-P6G_ligand.pdbqt | data/3W/3W6S-P6G/3W6S-P6G_target.pdbqt | data/3W/3W6S-P6G/3W6S-P6G_decoys.pdbqt | data/3W/3W6S-P6G/3W6S-P6G_decoy_scores.csv |
3W3O-FMN | data/3W/3W3O-FMN/3W3O-FMN_ligand.pdbqt | data/3W/3W3O-FMN/3W3O-FMN_target.pdbqt | data/3W/3W3O-FMN/3W3O-FMN_decoys.pdbqt | data/3W/3W3O-FMN/3W3O-FMN_decoy_scores.csv |
3WC7-EF1 | data/3W/3WC7-EF1/3WC7-EF1_ligand.pdbqt | data/3W/3WC7-EF1/3WC7-EF1_target.pdbqt | data/3W/3WC7-EF1/3WC7-EF1_decoys.pdbqt | data/3W/3WC7-EF1/3WC7-EF1_decoy_scores.csv |
3WRB-GDE | data/3W/3WRB-GDE/3WRB-GDE_ligand.pdbqt | data/3W/3WRB-GDE/3WRB-GDE_target.pdbqt | data/3W/3WRB-GDE/3WRB-GDE_decoys.pdbqt | data/3W/3WRB-GDE/3WRB-GDE_decoy_scores.csv |
3WDL-ATP | data/3W/3WDL-ATP/3WDL-ATP_ligand.pdbqt | data/3W/3WDL-ATP/3WDL-ATP_target.pdbqt | data/3W/3WDL-ATP/3WDL-ATP_decoys.pdbqt | data/3W/3WDL-ATP/3WDL-ATP_decoy_scores.csv |
3WR9-GDE | data/3W/3WR9-GDE/3WR9-GDE_ligand.pdbqt | data/3W/3WR9-GDE/3WR9-GDE_target.pdbqt | data/3W/3WR9-GDE/3WR9-GDE_decoys.pdbqt | data/3W/3WR9-GDE/3WR9-GDE_decoy_scores.csv |
3W73-FMN | data/3W/3W73-FMN/3W73-FMN_ligand.pdbqt | data/3W/3W73-FMN/3W73-FMN_target.pdbqt | data/3W/3W73-FMN/3W73-FMN_decoys.pdbqt | data/3W/3W73-FMN/3W73-FMN_decoy_scores.csv |
3W8D-NAD | data/3W/3W8D-NAD/3W8D-NAD_ligand.pdbqt | data/3W/3W8D-NAD/3W8D-NAD_target.pdbqt | data/3W/3W8D-NAD/3W8D-NAD_decoys.pdbqt | data/3W/3W8D-NAD/3W8D-NAD_decoy_scores.csv |
3WFD-10M | data/3W/3WFD-10M/3WFD-10M_ligand.pdbqt | data/3W/3WFD-10M/3WFD-10M_target.pdbqt | data/3W/3WFD-10M/3WFD-10M_decoys.pdbqt | data/3W/3WFD-10M/3WFD-10M_decoy_scores.csv |
3WYK-3KG | data/3W/3WYK-3KG/3WYK-3KG_ligand.pdbqt | data/3W/3WYK-3KG/3WYK-3KG_target.pdbqt | data/3W/3WYK-3KG/3WYK-3KG_decoys.pdbqt | data/3W/3WYK-3KG/3WYK-3KG_decoy_scores.csv |
3WTO-N2Y | data/3W/3WTO-N2Y/3WTO-N2Y_ligand.pdbqt | data/3W/3WTO-N2Y/3WTO-N2Y_target.pdbqt | data/3W/3WTO-N2Y/3WTO-N2Y_decoys.pdbqt | data/3W/3WTO-N2Y/3WTO-N2Y_decoy_scores.csv |
3WYG-GTP | data/3W/3WYG-GTP/3WYG-GTP_ligand.pdbqt | data/3W/3WYG-GTP/3WYG-GTP_target.pdbqt | data/3W/3WYG-GTP/3WYG-GTP_decoys.pdbqt | data/3W/3WYG-GTP/3WYG-GTP_decoy_scores.csv |
3W32-W32 | data/3W/3W32-W32/3W32-W32_ligand.pdbqt | data/3W/3W32-W32/3W32-W32_target.pdbqt | data/3W/3W32-W32/3W32-W32_decoys.pdbqt | data/3W/3W32-W32/3W32-W32_decoy_scores.csv |
3WF4-6DJ | data/3W/3WF4-6DJ/3WF4-6DJ_ligand.pdbqt | data/3W/3WF4-6DJ/3WF4-6DJ_target.pdbqt | data/3W/3WF4-6DJ/3WF4-6DJ_decoys.pdbqt | data/3W/3WF4-6DJ/3WF4-6DJ_decoy_scores.csv |
3W0N-HY0 | data/3W/3W0N-HY0/3W0N-HY0_ligand.pdbqt | data/3W/3W0N-HY0/3W0N-HY0_target.pdbqt | data/3W/3W0N-HY0/3W0N-HY0_decoys.pdbqt | data/3W/3W0N-HY0/3W0N-HY0_decoy_scores.csv |
3WQJ-RET | data/3W/3WQJ-RET/3WQJ-RET_ligand.pdbqt | data/3W/3WQJ-RET/3WQJ-RET_target.pdbqt | data/3W/3WQJ-RET/3WQJ-RET_decoys.pdbqt | data/3W/3WQJ-RET/3WQJ-RET_decoy_scores.csv |
3WSB-FPS | data/3W/3WSB-FPS/3WSB-FPS_ligand.pdbqt | data/3W/3WSB-FPS/3WSB-FPS_target.pdbqt | data/3W/3WSB-FPS/3WSB-FPS_decoys.pdbqt | data/3W/3WSB-FPS/3WSB-FPS_decoy_scores.csv |
3W0T-HPU | data/3W/3W0T-HPU/3W0T-HPU_ligand.pdbqt | data/3W/3W0T-HPU/3W0T-HPU_target.pdbqt | data/3W/3W0T-HPU/3W0T-HPU_decoys.pdbqt | data/3W/3W0T-HPU/3W0T-HPU_decoy_scores.csv |
3W75-FMN | data/3W/3W75-FMN/3W75-FMN_ligand.pdbqt | data/3W/3W75-FMN/3W75-FMN_target.pdbqt | data/3W/3W75-FMN/3W75-FMN_decoys.pdbqt | data/3W/3W75-FMN/3W75-FMN_decoy_scores.csv |
3WVM-STE | data/3W/3WVM-STE/3WVM-STE_ligand.pdbqt | data/3W/3WVM-STE/3WVM-STE_target.pdbqt | data/3W/3WVM-STE/3WVM-STE_decoys.pdbqt | data/3W/3WVM-STE/3WVM-STE_decoy_scores.csv |
3WCC-E5S | data/3W/3WCC-E5S/3WCC-E5S_ligand.pdbqt | data/3W/3WCC-E5S/3WCC-E5S_target.pdbqt | data/3W/3WCC-E5S/3WCC-E5S_decoys.pdbqt | data/3W/3WCC-E5S/3WCC-E5S_decoy_scores.csv |
3W9R-A8S | data/3W/3W9R-A8S/3W9R-A8S_ligand.pdbqt | data/3W/3W9R-A8S/3W9R-A8S_target.pdbqt | data/3W/3W9R-A8S/3W9R-A8S_decoys.pdbqt | data/3W/3W9R-A8S/3W9R-A8S_decoy_scores.csv |
3WF6-FZ9 | data/3W/3WF6-FZ9/3WF6-FZ9_ligand.pdbqt | data/3W/3WF6-FZ9/3WF6-FZ9_target.pdbqt | data/3W/3WF6-FZ9/3WF6-FZ9_decoys.pdbqt | data/3W/3WF6-FZ9/3WF6-FZ9_decoy_scores.csv |
3WT5-YA1 | data/3W/3WT5-YA1/3WT5-YA1_ligand.pdbqt | data/3W/3WT5-YA1/3WT5-YA1_target.pdbqt | data/3W/3WT5-YA1/3WT5-YA1_decoys.pdbqt | data/3W/3WT5-YA1/3WT5-YA1_decoy_scores.csv |
3W0G-W07 | data/3W/3W0G-W07/3W0G-W07_ligand.pdbqt | data/3W/3W0G-W07/3W0G-W07_target.pdbqt | data/3W/3W0G-W07/3W0G-W07_decoys.pdbqt | data/3W/3W0G-W07/3W0G-W07_decoy_scores.csv |
3WAU-M1P | data/3W/3WAU-M1P/3WAU-M1P_ligand.pdbqt | data/3W/3WAU-M1P/3WAU-M1P_target.pdbqt | data/3W/3WAU-M1P/3WAU-M1P_decoys.pdbqt | data/3W/3WAU-M1P/3WAU-M1P_decoy_scores.csv |
3WJR-AMP | data/3W/3WJR-AMP/3WJR-AMP_ligand.pdbqt | data/3W/3WJR-AMP/3WJR-AMP_target.pdbqt | data/3W/3WJR-AMP/3WJR-AMP_decoys.pdbqt | data/3W/3WJR-AMP/3WJR-AMP_decoy_scores.csv |
3W74-FMN | data/3W/3W74-FMN/3W74-FMN_ligand.pdbqt | data/3W/3W74-FMN/3W74-FMN_target.pdbqt | data/3W/3W74-FMN/3W74-FMN_decoys.pdbqt | data/3W/3W74-FMN/3W74-FMN_decoy_scores.csv |
3WV1-WHH | data/3W/3WV1-WHH/3WV1-WHH_ligand.pdbqt | data/3W/3WV1-WHH/3WV1-WHH_target.pdbqt | data/3W/3WV1-WHH/3WV1-WHH_decoys.pdbqt | data/3W/3WV1-WHH/3WV1-WHH_decoy_scores.csv |
3WGH-NAI | data/3W/3WGH-NAI/3WGH-NAI_ligand.pdbqt | data/3W/3WGH-NAI/3WGH-NAI_target.pdbqt | data/3W/3WGH-NAI/3WGH-NAI_decoys.pdbqt | data/3W/3WGH-NAI/3WGH-NAI_decoy_scores.csv |
3WZO-ZOE | data/3W/3WZO-ZOE/3WZO-ZOE_ligand.pdbqt | data/3W/3WZO-ZOE/3WZO-ZOE_target.pdbqt | data/3W/3WZO-ZOE/3WZO-ZOE_decoys.pdbqt | data/3W/3WZO-ZOE/3WZO-ZOE_decoy_scores.csv |
3W1R-MRO | data/3W/3W1R-MRO/3W1R-MRO_ligand.pdbqt | data/3W/3W1R-MRO/3W1R-MRO_target.pdbqt | data/3W/3W1R-MRO/3W1R-MRO_decoys.pdbqt | data/3W/3W1R-MRO/3W1R-MRO_decoy_scores.csv |
3WIS-FMN | data/3W/3WIS-FMN/3WIS-FMN_ligand.pdbqt | data/3W/3WIS-FMN/3WIS-FMN_target.pdbqt | data/3W/3WIS-FMN/3WIS-FMN_decoys.pdbqt | data/3W/3WIS-FMN/3WIS-FMN_decoy_scores.csv |
3W87-FMN | data/3W/3W87-FMN/3W87-FMN_ligand.pdbqt | data/3W/3W87-FMN/3W87-FMN_target.pdbqt | data/3W/3W87-FMN/3W87-FMN_decoys.pdbqt | data/3W/3W87-FMN/3W87-FMN_decoy_scores.csv |
3WNB-GNP | data/3W/3WNB-GNP/3WNB-GNP_ligand.pdbqt | data/3W/3WNB-GNP/3WNB-GNP_target.pdbqt | data/3W/3WNB-GNP/3WNB-GNP_decoys.pdbqt | data/3W/3WNB-GNP/3WNB-GNP_decoy_scores.csv |
3WF7-FS9 | data/3W/3WF7-FS9/3WF7-FS9_ligand.pdbqt | data/3W/3WF7-FS9/3WF7-FS9_target.pdbqt | data/3W/3WF7-FS9/3WF7-FS9_decoys.pdbqt | data/3W/3WF7-FS9/3WF7-FS9_decoy_scores.csv |
3W72-FMN | data/3W/3W72-FMN/3W72-FMN_ligand.pdbqt | data/3W/3W72-FMN/3W72-FMN_target.pdbqt | data/3W/3W72-FMN/3W72-FMN_decoys.pdbqt | data/3W/3W72-FMN/3W72-FMN_decoy_scores.csv |
3WZV-IPM | data/3W/3WZV-IPM/3WZV-IPM_ligand.pdbqt | data/3W/3WZV-IPM/3WZV-IPM_target.pdbqt | data/3W/3WZV-IPM/3WZV-IPM_decoys.pdbqt | data/3W/3WZV-IPM/3WZV-IPM_decoy_scores.csv |
3W23-3RO | data/3W/3W23-3RO/3W23-3RO_ligand.pdbqt | data/3W/3W23-3RO/3W23-3RO_target.pdbqt | data/3W/3W23-3RO/3W23-3RO_decoys.pdbqt | data/3W/3W23-3RO/3W23-3RO_decoy_scores.csv |
3WT6-YA1 | data/3W/3WT6-YA1/3WT6-YA1_ligand.pdbqt | data/3W/3WT6-YA1/3WT6-YA1_target.pdbqt | data/3W/3WT6-YA1/3WT6-YA1_decoys.pdbqt | data/3W/3WT6-YA1/3WT6-YA1_decoy_scores.csv |
3W7H-FMN | data/3W/3W7H-FMN/3W7H-FMN_ligand.pdbqt | data/3W/3W7H-FMN/3W7H-FMN_target.pdbqt | data/3W/3W7H-FMN/3W7H-FMN_decoys.pdbqt | data/3W/3W7H-FMN/3W7H-FMN_decoy_scores.csv |
3WCH-8PH | data/3W/3WCH-8PH/3WCH-8PH_ligand.pdbqt | data/3W/3WCH-8PH/3WCH-8PH_target.pdbqt | data/3W/3WCH-8PH/3WCH-8PH_decoys.pdbqt | data/3W/3WCH-8PH/3WCH-8PH_decoy_scores.csv |
3WN0-FUB | data/3W/3WN0-FUB/3WN0-FUB_ligand.pdbqt | data/3W/3WN0-FUB/3WN0-FUB_target.pdbqt | data/3W/3WN0-FUB/3WN0-FUB_decoys.pdbqt | data/3W/3WN0-FUB/3WN0-FUB_decoy_scores.csv |
3WPM-GDE | data/3W/3WPM-GDE/3WPM-GDE_ligand.pdbqt | data/3W/3WPM-GDE/3WPM-GDE_target.pdbqt | data/3W/3WPM-GDE/3WPM-GDE_decoys.pdbqt | data/3W/3WPM-GDE/3WPM-GDE_decoy_scores.csv |
3WX9-PMP | data/3W/3WX9-PMP/3WX9-PMP_ligand.pdbqt | data/3W/3WX9-PMP/3WX9-PMP_target.pdbqt | data/3W/3WX9-PMP/3WX9-PMP_decoys.pdbqt | data/3W/3WX9-PMP/3WX9-PMP_decoy_scores.csv |
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