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 ⌀ |
|---|---|---|---|---|
2W92-NGT | data/2W/2W92-NGT/2W92-NGT_ligand.pdbqt | data/2W/2W92-NGT/2W92-NGT_target.pdbqt | data/2W/2W92-NGT/2W92-NGT_decoys.pdbqt | data/2W/2W92-NGT/2W92-NGT_decoy_scores.csv |
2W70-L22 | data/2W/2W70-L22/2W70-L22_ligand.pdbqt | data/2W/2W70-L22/2W70-L22_target.pdbqt | data/2W/2W70-L22/2W70-L22_decoys.pdbqt | data/2W/2W70-L22/2W70-L22_decoy_scores.csv |
2WX2-TPF | data/2W/2WX2-TPF/2WX2-TPF_ligand.pdbqt | data/2W/2WX2-TPF/2WX2-TPF_target.pdbqt | data/2W/2WX2-TPF/2WX2-TPF_decoys.pdbqt | data/2W/2WX2-TPF/2WX2-TPF_decoy_scores.csv |
2WGG-TLM | data/2W/2WGG-TLM/2WGG-TLM_ligand.pdbqt | data/2W/2WGG-TLM/2WGG-TLM_target.pdbqt | data/2W/2WGG-TLM/2WGG-TLM_decoys.pdbqt | data/2W/2WGG-TLM/2WGG-TLM_decoy_scores.csv |
2W09-CM9 | data/2W/2W09-CM9/2W09-CM9_ligand.pdbqt | data/2W/2W09-CM9/2W09-CM9_target.pdbqt | data/2W/2W09-CM9/2W09-CM9_decoys.pdbqt | data/2W/2W09-CM9/2W09-CM9_decoy_scores.csv |
2WZW-FMN | data/2W/2WZW-FMN/2WZW-FMN_ligand.pdbqt | data/2W/2WZW-FMN/2WZW-FMN_target.pdbqt | data/2W/2WZW-FMN/2WZW-FMN_decoys.pdbqt | data/2W/2WZW-FMN/2WZW-FMN_decoy_scores.csv |
2WYP-KDN | data/2W/2WYP-KDN/2WYP-KDN_ligand.pdbqt | data/2W/2WYP-KDN/2WYP-KDN_target.pdbqt | data/2W/2WYP-KDN/2WYP-KDN_decoys.pdbqt | data/2W/2WYP-KDN/2WYP-KDN_decoy_scores.csv |
2WCH-B7M | data/2W/2WCH-B7M/2WCH-B7M_ligand.pdbqt | data/2W/2WCH-B7M/2WCH-B7M_target.pdbqt | data/2W/2WCH-B7M/2WCH-B7M_decoys.pdbqt | data/2W/2WCH-B7M/2WCH-B7M_decoy_scores.csv |
2WVZ-KIF | data/2W/2WVZ-KIF/2WVZ-KIF_ligand.pdbqt | data/2W/2WVZ-KIF/2WVZ-KIF_target.pdbqt | data/2W/2WVZ-KIF/2WVZ-KIF_decoys.pdbqt | data/2W/2WVZ-KIF/2WVZ-KIF_decoy_scores.csv |
2W4O-DKI | data/2W/2W4O-DKI/2W4O-DKI_ligand.pdbqt | data/2W/2W4O-DKI/2W4O-DKI_target.pdbqt | data/2W/2W4O-DKI/2W4O-DKI_decoys.pdbqt | data/2W/2W4O-DKI/2W4O-DKI_decoy_scores.csv |
2W5T-GP9 | data/2W/2W5T-GP9/2W5T-GP9_ligand.pdbqt | data/2W/2W5T-GP9/2W5T-GP9_target.pdbqt | data/2W/2W5T-GP9/2W5T-GP9_decoys.pdbqt | data/2W/2W5T-GP9/2W5T-GP9_decoy_scores.csv |
2W3L-DRO | data/2W/2W3L-DRO/2W3L-DRO_ligand.pdbqt | data/2W/2W3L-DRO/2W3L-DRO_target.pdbqt | data/2W/2W3L-DRO/2W3L-DRO_decoys.pdbqt | data/2W/2W3L-DRO/2W3L-DRO_decoy_scores.csv |
2WE3-DUT | data/2W/2WE3-DUT/2WE3-DUT_ligand.pdbqt | data/2W/2WE3-DUT/2WE3-DUT_target.pdbqt | data/2W/2WE3-DUT/2WE3-DUT_decoys.pdbqt | data/2W/2WE3-DUT/2WE3-DUT_decoy_scores.csv |
2WMR-ZYR | data/2W/2WMR-ZYR/2WMR-ZYR_ligand.pdbqt | data/2W/2WMR-ZYR/2WMR-ZYR_target.pdbqt | data/2W/2WMR-ZYR/2WMR-ZYR_decoys.pdbqt | data/2W/2WMR-ZYR/2WMR-ZYR_decoy_scores.csv |
2WXF-039 | data/2W/2WXF-039/2WXF-039_ligand.pdbqt | data/2W/2WXF-039/2WXF-039_target.pdbqt | data/2W/2WXF-039/2WXF-039_decoys.pdbqt | data/2W/2WXF-039/2WXF-039_decoy_scores.csv |
2WK9-PLG | data/2W/2WK9-PLG/2WK9-PLG_ligand.pdbqt | data/2W/2WK9-PLG/2WK9-PLG_target.pdbqt | data/2W/2WK9-PLG/2WK9-PLG_decoys.pdbqt | data/2W/2WK9-PLG/2WK9-PLG_decoy_scores.csv |
2WA4-069 | data/2W/2WA4-069/2WA4-069_ligand.pdbqt | data/2W/2WA4-069/2WA4-069_target.pdbqt | data/2W/2WA4-069/2WA4-069_decoys.pdbqt | data/2W/2WA4-069/2WA4-069_decoy_scores.csv |
2WGM-F09 | data/2W/2WGM-F09/2WGM-F09_ligand.pdbqt | data/2W/2WGM-F09/2WGM-F09_target.pdbqt | data/2W/2WGM-F09/2WGM-F09_decoys.pdbqt | data/2W/2WGM-F09/2WGM-F09_decoy_scores.csv |
2WBG-LGS | data/2W/2WBG-LGS/2WBG-LGS_ligand.pdbqt | data/2W/2WBG-LGS/2WBG-LGS_target.pdbqt | data/2W/2WBG-LGS/2WBG-LGS_decoys.pdbqt | data/2W/2WBG-LGS/2WBG-LGS_decoy_scores.csv |
2W8Z-6PG | data/2W/2W8Z-6PG/2W8Z-6PG_ligand.pdbqt | data/2W/2W8Z-6PG/2W8Z-6PG_target.pdbqt | data/2W/2W8Z-6PG/2W8Z-6PG_decoys.pdbqt | data/2W/2W8Z-6PG/2W8Z-6PG_decoy_scores.csv |
2WCV-FUC | data/2W/2WCV-FUC/2WCV-FUC_ligand.pdbqt | data/2W/2WCV-FUC/2WCV-FUC_target.pdbqt | data/2W/2WCV-FUC/2WCV-FUC_decoys.pdbqt | data/2W/2WCV-FUC/2WCV-FUC_decoy_scores.csv |
2WKU-DNO | data/2W/2WKU-DNO/2WKU-DNO_ligand.pdbqt | data/2W/2WKU-DNO/2WKU-DNO_target.pdbqt | data/2W/2WKU-DNO/2WKU-DNO_decoys.pdbqt | data/2W/2WKU-DNO/2WKU-DNO_decoy_scores.csv |
2W5B-AGS | data/2W/2W5B-AGS/2W5B-AGS_ligand.pdbqt | data/2W/2W5B-AGS/2W5B-AGS_target.pdbqt | data/2W/2W5B-AGS/2W5B-AGS_decoys.pdbqt | data/2W/2W5B-AGS/2W5B-AGS_decoy_scores.csv |
2WJH-FLC | data/2W/2WJH-FLC/2WJH-FLC_ligand.pdbqt | data/2W/2WJH-FLC/2WJH-FLC_target.pdbqt | data/2W/2WJH-FLC/2WJH-FLC_decoys.pdbqt | data/2W/2WJH-FLC/2WJH-FLC_decoy_scores.csv |
2WOA-576 | data/2W/2WOA-576/2WOA-576_ligand.pdbqt | data/2W/2WOA-576/2WOA-576_target.pdbqt | data/2W/2WOA-576/2WOA-576_decoys.pdbqt | data/2W/2WOA-576/2WOA-576_decoy_scores.csv |
2WMQ-ZYQ | data/2W/2WMQ-ZYQ/2WMQ-ZYQ_ligand.pdbqt | data/2W/2WMQ-ZYQ/2WMQ-ZYQ_target.pdbqt | data/2W/2WMQ-ZYQ/2WMQ-ZYQ_decoys.pdbqt | data/2W/2WMQ-ZYQ/2WMQ-ZYQ_decoy_scores.csv |
2WBD-RO5 | data/2W/2WBD-RO5/2WBD-RO5_ligand.pdbqt | data/2W/2WBD-RO5/2WBD-RO5_target.pdbqt | data/2W/2WBD-RO5/2WBD-RO5_decoys.pdbqt | data/2W/2WBD-RO5/2WBD-RO5_decoy_scores.csv |
2WZB-3PG | data/2W/2WZB-3PG/2WZB-3PG_ligand.pdbqt | data/2W/2WZB-3PG/2WZB-3PG_target.pdbqt | data/2W/2WZB-3PG/2WZB-3PG_decoys.pdbqt | data/2W/2WZB-3PG/2WZB-3PG_decoy_scores.csv |
2WA3-A29 | data/2W/2WA3-A29/2WA3-A29_ligand.pdbqt | data/2W/2WA3-A29/2WA3-A29_target.pdbqt | data/2W/2WA3-A29/2WA3-A29_decoys.pdbqt | data/2W/2WA3-A29/2WA3-A29_decoy_scores.csv |
2W2L-NAD | data/2W/2W2L-NAD/2W2L-NAD_ligand.pdbqt | data/2W/2W2L-NAD/2W2L-NAD_target.pdbqt | data/2W/2W2L-NAD/2W2L-NAD_decoys.pdbqt | data/2W/2W2L-NAD/2W2L-NAD_decoy_scores.csv |
2WL0-5AH | data/2W/2WL0-5AH/2WL0-5AH_ligand.pdbqt | data/2W/2WL0-5AH/2WL0-5AH_target.pdbqt | data/2W/2WL0-5AH/2WL0-5AH_decoys.pdbqt | data/2W/2WL0-5AH/2WL0-5AH_decoy_scores.csv |
2WHW-1D4 | data/2W/2WHW-1D4/2WHW-1D4_ligand.pdbqt | data/2W/2WHW-1D4/2WHW-1D4_target.pdbqt | data/2W/2WHW-1D4/2WHW-1D4_decoys.pdbqt | data/2W/2WHW-1D4/2WHW-1D4_decoy_scores.csv |
2WHQ-P6G | data/2W/2WHQ-P6G/2WHQ-P6G_ligand.pdbqt | data/2W/2WHQ-P6G/2WHQ-P6G_target.pdbqt | data/2W/2WHQ-P6G/2WHQ-P6G_decoys.pdbqt | data/2W/2WHQ-P6G/2WHQ-P6G_decoy_scores.csv |
2WI4-ZZ4 | data/2W/2WI4-ZZ4/2WI4-ZZ4_ligand.pdbqt | data/2W/2WI4-ZZ4/2WI4-ZZ4_target.pdbqt | data/2W/2WI4-ZZ4/2WI4-ZZ4_decoys.pdbqt | data/2W/2WI4-ZZ4/2WI4-ZZ4_decoy_scores.csv |
2W8R-ADP | data/2W/2W8R-ADP/2W8R-ADP_ligand.pdbqt | data/2W/2W8R-ADP/2W8R-ADP_target.pdbqt | data/2W/2W8R-ADP/2W8R-ADP_decoys.pdbqt | data/2W/2W8R-ADP/2W8R-ADP_decoy_scores.csv |
2WEF-AMP | data/2W/2WEF-AMP/2WEF-AMP_ligand.pdbqt | data/2W/2WEF-AMP/2WEF-AMP_target.pdbqt | data/2W/2WEF-AMP/2WEF-AMP_decoys.pdbqt | data/2W/2WEF-AMP/2WEF-AMP_decoy_scores.csv |
2W2T-GDP | data/2W/2W2T-GDP/2W2T-GDP_ligand.pdbqt | data/2W/2W2T-GDP/2W2T-GDP_target.pdbqt | data/2W/2W2T-GDP/2W2T-GDP_decoys.pdbqt | data/2W/2W2T-GDP/2W2T-GDP_decoy_scores.csv |
2WSW-CM5 | data/2W/2WSW-CM5/2WSW-CM5_ligand.pdbqt | data/2W/2WSW-CM5/2WSW-CM5_target.pdbqt | data/2W/2WSW-CM5/2WSW-CM5_decoys.pdbqt | data/2W/2WSW-CM5/2WSW-CM5_decoy_scores.csv |
2WW2-SWA | data/2W/2WW2-SWA/2WW2-SWA_ligand.pdbqt | data/2W/2WW2-SWA/2WW2-SWA_target.pdbqt | data/2W/2WW2-SWA/2WW2-SWA_decoys.pdbqt | data/2W/2WW2-SWA/2WW2-SWA_decoy_scores.csv |
2WZD-3PG | data/2W/2WZD-3PG/2WZD-3PG_ligand.pdbqt | data/2W/2WZD-3PG/2WZD-3PG_target.pdbqt | null | null |
2WI0-TRP | data/2W/2WI0-TRP/2WI0-TRP_ligand.pdbqt | data/2W/2WI0-TRP/2WI0-TRP_target.pdbqt | data/2W/2WI0-TRP/2WI0-TRP_decoys.pdbqt | data/2W/2WI0-TRP/2WI0-TRP_decoy_scores.csv |
2WOU-ZZF | data/2W/2WOU-ZZF/2WOU-ZZF_ligand.pdbqt | data/2W/2WOU-ZZF/2WOU-ZZF_target.pdbqt | data/2W/2WOU-ZZF/2WOU-ZZF_decoys.pdbqt | data/2W/2WOU-ZZF/2WOU-ZZF_decoy_scores.csv |
2WH8-II2 | data/2W/2WH8-II2/2WH8-II2_ligand.pdbqt | data/2W/2WH8-II2/2WH8-II2_target.pdbqt | data/2W/2WH8-II2/2WH8-II2_decoys.pdbqt | data/2W/2WH8-II2/2WH8-II2_decoy_scores.csv |
2WU7-V25 | data/2W/2WU7-V25/2WU7-V25_ligand.pdbqt | data/2W/2WU7-V25/2WU7-V25_target.pdbqt | data/2W/2WU7-V25/2WU7-V25_decoys.pdbqt | data/2W/2WU7-V25/2WU7-V25_decoy_scores.csv |
2WI2-ZZ3 | data/2W/2WI2-ZZ3/2WI2-ZZ3_ligand.pdbqt | data/2W/2WI2-ZZ3/2WI2-ZZ3_target.pdbqt | data/2W/2WI2-ZZ3/2WI2-ZZ3_decoys.pdbqt | data/2W/2WI2-ZZ3/2WI2-ZZ3_decoy_scores.csv |
2WKY-IBC | data/2W/2WKY-IBC/2WKY-IBC_ligand.pdbqt | data/2W/2WKY-IBC/2WKY-IBC_target.pdbqt | data/2W/2WKY-IBC/2WKY-IBC_decoys.pdbqt | data/2W/2WKY-IBC/2WKY-IBC_decoy_scores.csv |
2W6Z-L21 | data/2W/2W6Z-L21/2W6Z-L21_ligand.pdbqt | data/2W/2W6Z-L21/2W6Z-L21_target.pdbqt | data/2W/2W6Z-L21/2W6Z-L21_decoys.pdbqt | data/2W/2W6Z-L21/2W6Z-L21_decoy_scores.csv |
2WXG-ZZN | data/2W/2WXG-ZZN/2WXG-ZZN_ligand.pdbqt | data/2W/2WXG-ZZN/2WXG-ZZN_target.pdbqt | data/2W/2WXG-ZZN/2WXG-ZZN_decoys.pdbqt | data/2W/2WXG-ZZN/2WXG-ZZN_decoy_scores.csv |
2WCL-B8M | data/2W/2WCL-B8M/2WCL-B8M_ligand.pdbqt | data/2W/2WCL-B8M/2WCL-B8M_target.pdbqt | data/2W/2WCL-B8M/2WCL-B8M_decoys.pdbqt | data/2W/2WCL-B8M/2WCL-B8M_decoy_scores.csv |
2W97-MGO | data/2W/2W97-MGO/2W97-MGO_ligand.pdbqt | data/2W/2W97-MGO/2W97-MGO_target.pdbqt | data/2W/2W97-MGO/2W97-MGO_decoys.pdbqt | data/2W/2W97-MGO/2W97-MGO_decoy_scores.csv |
2WEK-DIF | data/2W/2WEK-DIF/2WEK-DIF_ligand.pdbqt | data/2W/2WEK-DIF/2WEK-DIF_target.pdbqt | data/2W/2WEK-DIF/2WEK-DIF_decoys.pdbqt | data/2W/2WEK-DIF/2WEK-DIF_decoy_scores.csv |
2WF3-ZY3 | data/2W/2WF3-ZY3/2WF3-ZY3_ligand.pdbqt | data/2W/2WF3-ZY3/2WF3-ZY3_target.pdbqt | data/2W/2WF3-ZY3/2WF3-ZY3_decoys.pdbqt | data/2W/2WF3-ZY3/2WF3-ZY3_decoy_scores.csv |
2WF5-BG6 | data/2W/2WF5-BG6/2WF5-BG6_ligand.pdbqt | data/2W/2WF5-BG6/2WF5-BG6_target.pdbqt | data/2W/2WF5-BG6/2WF5-BG6_decoys.pdbqt | data/2W/2WF5-BG6/2WF5-BG6_decoy_scores.csv |
2WOQ-PE5 | data/2W/2WOQ-PE5/2WOQ-PE5_ligand.pdbqt | data/2W/2WOQ-PE5/2WOQ-PE5_target.pdbqt | data/2W/2WOQ-PE5/2WOQ-PE5_decoys.pdbqt | data/2W/2WOQ-PE5/2WOQ-PE5_decoy_scores.csv |
2WV8-FMN | data/2W/2WV8-FMN/2WV8-FMN_ligand.pdbqt | data/2W/2WV8-FMN/2WV8-FMN_target.pdbqt | data/2W/2WV8-FMN/2WV8-FMN_decoys.pdbqt | data/2W/2WV8-FMN/2WV8-FMN_decoy_scores.csv |
2WOA-023 | data/2W/2WOA-023/2WOA-023_ligand.pdbqt | data/2W/2WOA-023/2WOA-023_target.pdbqt | data/2W/2WOA-023/2WOA-023_decoys.pdbqt | data/2W/2WOA-023/2WOA-023_decoy_scores.csv |
2W4X-STZ | data/2W/2W4X-STZ/2W4X-STZ_ligand.pdbqt | data/2W/2W4X-STZ/2W4X-STZ_target.pdbqt | data/2W/2W4X-STZ/2W4X-STZ_decoys.pdbqt | data/2W/2W4X-STZ/2W4X-STZ_decoy_scores.csv |
2WK1-SAH | data/2W/2WK1-SAH/2WK1-SAH_ligand.pdbqt | data/2W/2WK1-SAH/2WK1-SAH_target.pdbqt | data/2W/2WK1-SAH/2WK1-SAH_decoys.pdbqt | data/2W/2WK1-SAH/2WK1-SAH_decoy_scores.csv |
2W8Y-486 | data/2W/2W8Y-486/2W8Y-486_ligand.pdbqt | data/2W/2W8Y-486/2W8Y-486_target.pdbqt | data/2W/2W8Y-486/2W8Y-486_decoys.pdbqt | data/2W/2W8Y-486/2W8Y-486_decoy_scores.csv |
2WV8-VGN | data/2W/2WV8-VGN/2WV8-VGN_ligand.pdbqt | data/2W/2WV8-VGN/2WV8-VGN_target.pdbqt | data/2W/2WV8-VGN/2WV8-VGN_decoys.pdbqt | data/2W/2WV8-VGN/2WV8-VGN_decoy_scores.csv |
2WWF-ADP | data/2W/2WWF-ADP/2WWF-ADP_ligand.pdbqt | data/2W/2WWF-ADP/2WWF-ADP_target.pdbqt | data/2W/2WWF-ADP/2WWF-ADP_decoys.pdbqt | data/2W/2WWF-ADP/2WWF-ADP_decoy_scores.csv |
2WU6-DKI | data/2W/2WU6-DKI/2WU6-DKI_ligand.pdbqt | data/2W/2WU6-DKI/2WU6-DKI_target.pdbqt | data/2W/2WU6-DKI/2WU6-DKI_decoys.pdbqt | data/2W/2WU6-DKI/2WU6-DKI_decoy_scores.csv |
2WD7-VGD | data/2W/2WD7-VGD/2WD7-VGD_ligand.pdbqt | data/2W/2WD7-VGD/2WD7-VGD_target.pdbqt | data/2W/2WD7-VGD/2WD7-VGD_decoys.pdbqt | data/2W/2WD7-VGD/2WD7-VGD_decoy_scores.csv |
2WQY-BHG | data/2W/2WQY-BHG/2WQY-BHG_ligand.pdbqt | data/2W/2WQY-BHG/2WQY-BHG_target.pdbqt | data/2W/2WQY-BHG/2WQY-BHG_decoys.pdbqt | data/2W/2WQY-BHG/2WQY-BHG_decoy_scores.csv |
2W95-NGA | data/2W/2W95-NGA/2W95-NGA_ligand.pdbqt | data/2W/2W95-NGA/2W95-NGA_target.pdbqt | data/2W/2W95-NGA/2W95-NGA_decoys.pdbqt | data/2W/2W95-NGA/2W95-NGA_decoy_scores.csv |
2WU4-P6G | data/2W/2WU4-P6G/2WU4-P6G_ligand.pdbqt | data/2W/2WU4-P6G/2WU4-P6G_target.pdbqt | data/2W/2WU4-P6G/2WU4-P6G_decoys.pdbqt | data/2W/2WU4-P6G/2WU4-P6G_decoy_scores.csv |
2W14-WR2 | data/2W/2W14-WR2/2W14-WR2_ligand.pdbqt | data/2W/2W14-WR2/2W14-WR2_target.pdbqt | data/2W/2W14-WR2/2W14-WR2_decoys.pdbqt | data/2W/2W14-WR2/2W14-WR2_decoy_scores.csv |
2WXH-ZZO | data/2W/2WXH-ZZO/2WXH-ZZO_ligand.pdbqt | data/2W/2WXH-ZZO/2WXH-ZZO_target.pdbqt | data/2W/2WXH-ZZO/2WXH-ZZO_decoys.pdbqt | data/2W/2WXH-ZZO/2WXH-ZZO_decoy_scores.csv |
2WJK-RET | data/2W/2WJK-RET/2WJK-RET_ligand.pdbqt | data/2W/2WJK-RET/2WJK-RET_target.pdbqt | data/2W/2WJK-RET/2WJK-RET_decoys.pdbqt | data/2W/2WJK-RET/2WJK-RET_decoy_scores.csv |
2WO7-ASV | data/2W/2WO7-ASV/2WO7-ASV_ligand.pdbqt | data/2W/2WO7-ASV/2WO7-ASV_target.pdbqt | data/2W/2WO7-ASV/2WO7-ASV_decoys.pdbqt | data/2W/2WO7-ASV/2WO7-ASV_decoy_scores.csv |
2WJN-NS5 | data/2W/2WJN-NS5/2WJN-NS5_ligand.pdbqt | data/2W/2WJN-NS5/2WJN-NS5_target.pdbqt | data/2W/2WJN-NS5/2WJN-NS5_decoys.pdbqt | data/2W/2WJN-NS5/2WJN-NS5_decoy_scores.csv |
2WJQ-LDA | data/2W/2WJQ-LDA/2WJQ-LDA_ligand.pdbqt | data/2W/2WJQ-LDA/2WJQ-LDA_target.pdbqt | data/2W/2WJQ-LDA/2WJQ-LDA_decoys.pdbqt | data/2W/2WJQ-LDA/2WJQ-LDA_decoy_scores.csv |
2WVA-TPU | data/2W/2WVA-TPU/2WVA-TPU_ligand.pdbqt | data/2W/2WVA-TPU/2WVA-TPU_target.pdbqt | data/2W/2WVA-TPU/2WVA-TPU_decoys.pdbqt | data/2W/2WVA-TPU/2WVA-TPU_decoy_scores.csv |
2WMC-MGP | data/2W/2WMC-MGP/2WMC-MGP_ligand.pdbqt | data/2W/2WMC-MGP/2WMC-MGP_target.pdbqt | data/2W/2WMC-MGP/2WMC-MGP_decoys.pdbqt | data/2W/2WMC-MGP/2WMC-MGP_decoy_scores.csv |
2WO8-077 | data/2W/2WO8-077/2WO8-077_ligand.pdbqt | data/2W/2WO8-077/2WO8-077_target.pdbqt | data/2W/2WO8-077/2WO8-077_decoys.pdbqt | data/2W/2WO8-077/2WO8-077_decoy_scores.csv |
2WZM-NA7 | data/2W/2WZM-NA7/2WZM-NA7_ligand.pdbqt | data/2W/2WZM-NA7/2WZM-NA7_target.pdbqt | data/2W/2WZM-NA7/2WZM-NA7_decoys.pdbqt | data/2W/2WZM-NA7/2WZM-NA7_decoy_scores.csv |
2W4Q-CBW | data/2W/2W4Q-CBW/2W4Q-CBW_ligand.pdbqt | data/2W/2W4Q-CBW/2W4Q-CBW_target.pdbqt | data/2W/2W4Q-CBW/2W4Q-CBW_decoys.pdbqt | data/2W/2W4Q-CBW/2W4Q-CBW_decoy_scores.csv |
2WKE-BIY | data/2W/2WKE-BIY/2WKE-BIY_ligand.pdbqt | data/2W/2WKE-BIY/2WKE-BIY_target.pdbqt | data/2W/2WKE-BIY/2WKE-BIY_decoys.pdbqt | data/2W/2WKE-BIY/2WKE-BIY_decoy_scores.csv |
2WEQ-GDM | data/2W/2WEQ-GDM/2WEQ-GDM_ligand.pdbqt | data/2W/2WEQ-GDM/2WEQ-GDM_target.pdbqt | data/2W/2WEQ-GDM/2WEQ-GDM_decoys.pdbqt | data/2W/2WEQ-GDM/2WEQ-GDM_decoy_scores.csv |
2WCJ-M21 | data/2W/2WCJ-M21/2WCJ-M21_ligand.pdbqt | data/2W/2WCJ-M21/2WCJ-M21_target.pdbqt | data/2W/2WCJ-M21/2WCJ-M21_decoys.pdbqt | data/2W/2WCJ-M21/2WCJ-M21_decoy_scores.csv |
2WUZ-TPF | data/2W/2WUZ-TPF/2WUZ-TPF_ligand.pdbqt | data/2W/2WUZ-TPF/2WUZ-TPF_target.pdbqt | data/2W/2WUZ-TPF/2WUZ-TPF_decoys.pdbqt | data/2W/2WUZ-TPF/2WUZ-TPF_decoy_scores.csv |
2WN7-NAD | data/2W/2WN7-NAD/2WN7-NAD_ligand.pdbqt | data/2W/2WN7-NAD/2WN7-NAD_target.pdbqt | data/2W/2WN7-NAD/2WN7-NAD_decoys.pdbqt | data/2W/2WN7-NAD/2WN7-NAD_decoy_scores.csv |
2WYW-NAD | data/2W/2WYW-NAD/2WYW-NAD_ligand.pdbqt | data/2W/2WYW-NAD/2WYW-NAD_target.pdbqt | data/2W/2WYW-NAD/2WYW-NAD_decoys.pdbqt | data/2W/2WYW-NAD/2WYW-NAD_decoy_scores.csv |
2WYD-DAO | data/2W/2WYD-DAO/2WYD-DAO_ligand.pdbqt | data/2W/2WYD-DAO/2WYD-DAO_target.pdbqt | data/2W/2WYD-DAO/2WYD-DAO_decoys.pdbqt | data/2W/2WYD-DAO/2WYD-DAO_decoy_scores.csv |
2WHG-FLC | data/2W/2WHG-FLC/2WHG-FLC_ligand.pdbqt | data/2W/2WHG-FLC/2WHG-FLC_target.pdbqt | data/2W/2WHG-FLC/2WHG-FLC_decoys.pdbqt | data/2W/2WHG-FLC/2WHG-FLC_decoy_scores.csv |
2WWF-TMP | data/2W/2WWF-TMP/2WWF-TMP_ligand.pdbqt | data/2W/2WWF-TMP/2WWF-TMP_target.pdbqt | data/2W/2WWF-TMP/2WWF-TMP_decoys.pdbqt | data/2W/2WWF-TMP/2WWF-TMP_decoy_scores.csv |
2W3X-JEF | data/2W/2W3X-JEF/2W3X-JEF_ligand.pdbqt | data/2W/2W3X-JEF/2W3X-JEF_target.pdbqt | data/2W/2W3X-JEF/2W3X-JEF_decoys.pdbqt | data/2W/2W3X-JEF/2W3X-JEF_decoy_scores.csv |
2W2X-GSP | data/2W/2W2X-GSP/2W2X-GSP_ligand.pdbqt | data/2W/2W2X-GSP/2W2X-GSP_target.pdbqt | data/2W/2W2X-GSP/2W2X-GSP_decoys.pdbqt | data/2W/2W2X-GSP/2W2X-GSP_decoy_scores.csv |
2W0A-CII | data/2W/2W0A-CII/2W0A-CII_ligand.pdbqt | data/2W/2W0A-CII/2W0A-CII_target.pdbqt | data/2W/2W0A-CII/2W0A-CII_decoys.pdbqt | data/2W/2W0A-CII/2W0A-CII_decoy_scores.csv |
2WBO-ARG | data/2W/2WBO-ARG/2WBO-ARG_ligand.pdbqt | data/2W/2WBO-ARG/2WBO-ARG_target.pdbqt | data/2W/2WBO-ARG/2WBO-ARG_decoys.pdbqt | data/2W/2WBO-ARG/2WBO-ARG_decoy_scores.csv |
2W12-WR2 | data/2W/2W12-WR2/2W12-WR2_ligand.pdbqt | data/2W/2W12-WR2/2W12-WR2_target.pdbqt | data/2W/2W12-WR2/2W12-WR2_decoys.pdbqt | data/2W/2W12-WR2/2W12-WR2_decoy_scores.csv |
2WDU-GDS | data/2W/2WDU-GDS/2WDU-GDS_ligand.pdbqt | data/2W/2WDU-GDS/2WDU-GDS_target.pdbqt | data/2W/2WDU-GDS/2WDU-GDS_decoys.pdbqt | data/2W/2WDU-GDS/2WDU-GDS_decoy_scores.csv |
2WEH-FB1 | data/2W/2WEH-FB1/2WEH-FB1_ligand.pdbqt | data/2W/2WEH-FB1/2WEH-FB1_target.pdbqt | data/2W/2WEH-FB1/2WEH-FB1_decoys.pdbqt | data/2W/2WEH-FB1/2WEH-FB1_decoy_scores.csv |
2WIE-CVM | data/2W/2WIE-CVM/2WIE-CVM_ligand.pdbqt | data/2W/2WIE-CVM/2WIE-CVM_target.pdbqt | data/2W/2WIE-CVM/2WIE-CVM_decoys.pdbqt | data/2W/2WIE-CVM/2WIE-CVM_decoy_scores.csv |
2W0F-HX0 | data/2W/2W0F-HX0/2W0F-HX0_ligand.pdbqt | data/2W/2W0F-HX0/2W0F-HX0_target.pdbqt | data/2W/2W0F-HX0/2W0F-HX0_decoys.pdbqt | data/2W/2W0F-HX0/2W0F-HX0_decoy_scores.csv |
2WG9-OCA | data/2W/2WG9-OCA/2WG9-OCA_ligand.pdbqt | data/2W/2WG9-OCA/2WG9-OCA_target.pdbqt | data/2W/2WG9-OCA/2WG9-OCA_decoys.pdbqt | data/2W/2WG9-OCA/2WG9-OCA_decoy_scores.csv |
2WGZ-GAL | data/2W/2WGZ-GAL/2WGZ-GAL_ligand.pdbqt | data/2W/2WGZ-GAL/2WGZ-GAL_target.pdbqt | data/2W/2WGZ-GAL/2WGZ-GAL_decoys.pdbqt | data/2W/2WGZ-GAL/2WGZ-GAL_decoy_scores.csv |
2WUG-HPK | data/2W/2WUG-HPK/2WUG-HPK_ligand.pdbqt | data/2W/2WUG-HPK/2WUG-HPK_target.pdbqt | data/2W/2WUG-HPK/2WUG-HPK_decoys.pdbqt | data/2W/2WUG-HPK/2WUG-HPK_decoy_scores.csv |
2WKP-FMN | data/2W/2WKP-FMN/2WKP-FMN_ligand.pdbqt | data/2W/2WKP-FMN/2WKP-FMN_target.pdbqt | data/2W/2WKP-FMN/2WKP-FMN_decoys.pdbqt | data/2W/2WKP-FMN/2WKP-FMN_decoy_scores.csv |
2W1S-BTB | data/2W/2W1S-BTB/2W1S-BTB_ligand.pdbqt | data/2W/2W1S-BTB/2W1S-BTB_target.pdbqt | data/2W/2W1S-BTB/2W1S-BTB_decoys.pdbqt | data/2W/2W1S-BTB/2W1S-BTB_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.