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 ⌀ |
|---|---|---|---|---|
2WJH-GDP | data/2W/2WJH-GDP/2WJH-GDP_ligand.pdbqt | data/2W/2WJH-GDP/2WJH-GDP_target.pdbqt | data/2W/2WJH-GDP/2WJH-GDP_decoys.pdbqt | data/2W/2WJH-GDP/2WJH-GDP_decoy_scores.csv |
2W3I-L1C | data/2W/2W3I-L1C/2W3I-L1C_ligand.pdbqt | data/2W/2W3I-L1C/2W3I-L1C_target.pdbqt | data/2W/2W3I-L1C/2W3I-L1C_decoys.pdbqt | data/2W/2W3I-L1C/2W3I-L1C_decoy_scores.csv |
2WYG-461 | data/2W/2WYG-461/2WYG-461_ligand.pdbqt | data/2W/2WYG-461/2WYG-461_target.pdbqt | data/2W/2WYG-461/2WYG-461_decoys.pdbqt | data/2W/2WYG-461/2WYG-461_decoy_scores.csv |
2W83-GTP | data/2W/2W83-GTP/2W83-GTP_ligand.pdbqt | data/2W/2W83-GTP/2W83-GTP_target.pdbqt | data/2W/2W83-GTP/2W83-GTP_decoys.pdbqt | data/2W/2W83-GTP/2W83-GTP_decoy_scores.csv |
2WZS-MVL | data/2W/2WZS-MVL/2WZS-MVL_ligand.pdbqt | data/2W/2WZS-MVL/2WZS-MVL_target.pdbqt | data/2W/2WZS-MVL/2WZS-MVL_decoys.pdbqt | data/2W/2WZS-MVL/2WZS-MVL_decoy_scores.csv |
2WZX-ZX0 | data/2W/2WZX-ZX0/2WZX-ZX0_ligand.pdbqt | data/2W/2WZX-ZX0/2WZX-ZX0_target.pdbqt | data/2W/2WZX-ZX0/2WZX-ZX0_decoys.pdbqt | data/2W/2WZX-ZX0/2WZX-ZX0_decoy_scores.csv |
2WI7-2KL | data/2W/2WI7-2KL/2WI7-2KL_ligand.pdbqt | data/2W/2WI7-2KL/2WI7-2KL_target.pdbqt | data/2W/2WI7-2KL/2WI7-2KL_decoys.pdbqt | data/2W/2WI7-2KL/2WI7-2KL_decoy_scores.csv |
2WHZ-TYR | data/2W/2WHZ-TYR/2WHZ-TYR_ligand.pdbqt | data/2W/2WHZ-TYR/2WHZ-TYR_target.pdbqt | data/2W/2WHZ-TYR/2WHZ-TYR_decoys.pdbqt | data/2W/2WHZ-TYR/2WHZ-TYR_decoy_scores.csv |
2WMO-GTP | data/2W/2WMO-GTP/2WMO-GTP_ligand.pdbqt | data/2W/2WMO-GTP/2WMO-GTP_target.pdbqt | data/2W/2WMO-GTP/2WMO-GTP_decoys.pdbqt | data/2W/2WMO-GTP/2WMO-GTP_decoy_scores.csv |
2WKZ-5AH | data/2W/2WKZ-5AH/2WKZ-5AH_ligand.pdbqt | data/2W/2WKZ-5AH/2WKZ-5AH_target.pdbqt | data/2W/2WKZ-5AH/2WKZ-5AH_decoys.pdbqt | data/2W/2WKZ-5AH/2WKZ-5AH_decoy_scores.csv |
2WYN-GLC | data/2W/2WYN-GLC/2WYN-GLC_ligand.pdbqt | data/2W/2WYN-GLC/2WYN-GLC_target.pdbqt | data/2W/2WYN-GLC/2WYN-GLC_decoys.pdbqt | data/2W/2WYN-GLC/2WYN-GLC_decoy_scores.csv |
2WMD-ZZ0 | data/2W/2WMD-ZZ0/2WMD-ZZ0_ligand.pdbqt | data/2W/2WMD-ZZ0/2WMD-ZZ0_target.pdbqt | data/2W/2WMD-ZZ0/2WMD-ZZ0_decoys.pdbqt | data/2W/2WMD-ZZ0/2WMD-ZZ0_decoy_scores.csv |
2WGZ-NPO | data/2W/2WGZ-NPO/2WGZ-NPO_ligand.pdbqt | data/2W/2WGZ-NPO/2WGZ-NPO_target.pdbqt | data/2W/2WGZ-NPO/2WGZ-NPO_decoys.pdbqt | data/2W/2WGZ-NPO/2WGZ-NPO_decoy_scores.csv |
2WM1-13P | data/2W/2WM1-13P/2WM1-13P_ligand.pdbqt | data/2W/2WM1-13P/2WM1-13P_target.pdbqt | data/2W/2WM1-13P/2WM1-13P_decoys.pdbqt | data/2W/2WM1-13P/2WM1-13P_decoy_scores.csv |
2WO9-068 | data/2W/2WO9-068/2WO9-068_ligand.pdbqt | data/2W/2WO9-068/2WO9-068_target.pdbqt | data/2W/2WO9-068/2WO9-068_decoys.pdbqt | data/2W/2WO9-068/2WO9-068_decoy_scores.csv |
2WTI-WTI | data/2W/2WTI-WTI/2WTI-WTI_ligand.pdbqt | data/2W/2WTI-WTI/2WTI-WTI_target.pdbqt | data/2W/2WTI-WTI/2WTI-WTI_decoys.pdbqt | data/2W/2WTI-WTI/2WTI-WTI_decoy_scores.csv |
2WHQ-HI6 | data/2W/2WHQ-HI6/2WHQ-HI6_ligand.pdbqt | data/2W/2WHQ-HI6/2WHQ-HI6_target.pdbqt | data/2W/2WHQ-HI6/2WHQ-HI6_decoys.pdbqt | data/2W/2WHQ-HI6/2WHQ-HI6_decoy_scores.csv |
2WHX-ADP | data/2W/2WHX-ADP/2WHX-ADP_ligand.pdbqt | data/2W/2WHX-ADP/2WHX-ADP_target.pdbqt | data/2W/2WHX-ADP/2WHX-ADP_decoys.pdbqt | data/2W/2WHX-ADP/2WHX-ADP_decoy_scores.csv |
2WF2-ZY2 | data/2W/2WF2-ZY2/2WF2-ZY2_ligand.pdbqt | data/2W/2WF2-ZY2/2WF2-ZY2_target.pdbqt | data/2W/2WF2-ZY2/2WF2-ZY2_decoys.pdbqt | data/2W/2WF2-ZY2/2WF2-ZY2_decoy_scores.csv |
2WZF-BGC | data/2W/2WZF-BGC/2WZF-BGC_ligand.pdbqt | data/2W/2WZF-BGC/2WZF-BGC_target.pdbqt | data/2W/2WZF-BGC/2WZF-BGC_decoys.pdbqt | data/2W/2WZF-BGC/2WZF-BGC_decoy_scores.csv |
2W17-I19 | data/2W/2W17-I19/2W17-I19_ligand.pdbqt | data/2W/2W17-I19/2W17-I19_target.pdbqt | data/2W/2W17-I19/2W17-I19_decoys.pdbqt | data/2W/2W17-I19/2W17-I19_decoy_scores.csv |
2WMW-ZYW | data/2W/2WMW-ZYW/2WMW-ZYW_ligand.pdbqt | data/2W/2WMW-ZYW/2WMW-ZYW_target.pdbqt | data/2W/2WMW-ZYW/2WMW-ZYW_decoys.pdbqt | data/2W/2WMW-ZYW/2WMW-ZYW_decoy_scores.csv |
2W6O-OA3 | data/2W/2W6O-OA3/2W6O-OA3_ligand.pdbqt | data/2W/2W6O-OA3/2W6O-OA3_target.pdbqt | data/2W/2W6O-OA3/2W6O-OA3_decoys.pdbqt | data/2W/2W6O-OA3/2W6O-OA3_decoy_scores.csv |
2WK0-BIY | data/2W/2WK0-BIY/2WK0-BIY_ligand.pdbqt | data/2W/2WK0-BIY/2WK0-BIY_target.pdbqt | data/2W/2WK0-BIY/2WK0-BIY_decoys.pdbqt | data/2W/2WK0-BIY/2WK0-BIY_decoy_scores.csv |
2W67-F34 | data/2W/2W67-F34/2W67-F34_ligand.pdbqt | data/2W/2W67-F34/2W67-F34_target.pdbqt | data/2W/2W67-F34/2W67-F34_decoys.pdbqt | data/2W/2W67-F34/2W67-F34_decoy_scores.csv |
2WOE-AR6 | data/2W/2WOE-AR6/2WOE-AR6_ligand.pdbqt | data/2W/2WOE-AR6/2WOE-AR6_target.pdbqt | data/2W/2WOE-AR6/2WOE-AR6_decoys.pdbqt | data/2W/2WOE-AR6/2WOE-AR6_decoy_scores.csv |
2W0B-CMW | data/2W/2W0B-CMW/2W0B-CMW_ligand.pdbqt | data/2W/2W0B-CMW/2W0B-CMW_target.pdbqt | data/2W/2W0B-CMW/2W0B-CMW_decoys.pdbqt | data/2W/2W0B-CMW/2W0B-CMW_decoy_scores.csv |
2W3K-L1D | data/2W/2W3K-L1D/2W3K-L1D_ligand.pdbqt | data/2W/2W3K-L1D/2W3K-L1D_target.pdbqt | data/2W/2W3K-L1D/2W3K-L1D_decoys.pdbqt | data/2W/2W3K-L1D/2W3K-L1D_decoy_scores.csv |
2WQO-VGK | data/2W/2WQO-VGK/2WQO-VGK_ligand.pdbqt | data/2W/2WQO-VGK/2WQO-VGK_target.pdbqt | data/2W/2WQO-VGK/2WQO-VGK_decoys.pdbqt | data/2W/2WQO-VGK/2WQO-VGK_decoy_scores.csv |
2WCX-VGC | data/2W/2WCX-VGC/2WCX-VGC_ligand.pdbqt | data/2W/2WCX-VGC/2WCX-VGC_target.pdbqt | data/2W/2WCX-VGC/2WCX-VGC_decoys.pdbqt | data/2W/2WCX-VGC/2WCX-VGC_decoy_scores.csv |
2WZZ-ZX1 | data/2W/2WZZ-ZX1/2WZZ-ZX1_ligand.pdbqt | data/2W/2WZZ-ZX1/2WZZ-ZX1_target.pdbqt | data/2W/2WZZ-ZX1/2WZZ-ZX1_decoys.pdbqt | data/2W/2WZZ-ZX1/2WZZ-ZX1_decoy_scores.csv |
2W05-FRT | data/2W/2W05-FRT/2W05-FRT_ligand.pdbqt | data/2W/2W05-FRT/2W05-FRT_target.pdbqt | data/2W/2W05-FRT/2W05-FRT_decoys.pdbqt | data/2W/2W05-FRT/2W05-FRT_decoy_scores.csv |
2WOG-ADP | data/2W/2WOG-ADP/2WOG-ADP_ligand.pdbqt | data/2W/2WOG-ADP/2WOG-ADP_target.pdbqt | data/2W/2WOG-ADP/2WOG-ADP_decoys.pdbqt | data/2W/2WOG-ADP/2WOG-ADP_decoy_scores.csv |
2WHH-PPN | data/2W/2WHH-PPN/2WHH-PPN_ligand.pdbqt | data/2W/2WHH-PPN/2WHH-PPN_target.pdbqt | data/2W/2WHH-PPN/2WHH-PPN_decoys.pdbqt | data/2W/2WHH-PPN/2WHH-PPN_decoy_scores.csv |
2W0F-F09 | data/2W/2W0F-F09/2W0F-F09_ligand.pdbqt | data/2W/2W0F-F09/2W0F-F09_target.pdbqt | data/2W/2W0F-F09/2W0F-F09_decoys.pdbqt | data/2W/2W0F-F09/2W0F-F09_decoy_scores.csv |
2WCA-NP6 | data/2W/2WCA-NP6/2WCA-NP6_ligand.pdbqt | data/2W/2WCA-NP6/2WCA-NP6_target.pdbqt | data/2W/2WCA-NP6/2WCA-NP6_decoys.pdbqt | data/2W/2WCA-NP6/2WCA-NP6_decoy_scores.csv |
2W66-HQ6 | data/2W/2W66-HQ6/2W66-HQ6_ligand.pdbqt | data/2W/2W66-HQ6/2W66-HQ6_target.pdbqt | data/2W/2W66-HQ6/2W66-HQ6_decoys.pdbqt | data/2W/2W66-HQ6/2W66-HQ6_decoy_scores.csv |
2W24-LYS | data/2W/2W24-LYS/2W24-LYS_ligand.pdbqt | data/2W/2W24-LYS/2W24-LYS_target.pdbqt | data/2W/2W24-LYS/2W24-LYS_decoys.pdbqt | data/2W/2W24-LYS/2W24-LYS_decoy_scores.csv |
2WYN-LG9 | data/2W/2WYN-LG9/2WYN-LG9_ligand.pdbqt | data/2W/2WYN-LG9/2WYN-LG9_target.pdbqt | data/2W/2WYN-LG9/2WYN-LG9_decoys.pdbqt | data/2W/2WYN-LG9/2WYN-LG9_decoy_scores.csv |
2WQN-ADP | data/2W/2WQN-ADP/2WQN-ADP_ligand.pdbqt | data/2W/2WQN-ADP/2WQN-ADP_target.pdbqt | data/2W/2WQN-ADP/2WQN-ADP_decoys.pdbqt | data/2W/2WQN-ADP/2WQN-ADP_decoy_scores.csv |
2WZB-ADP | data/2W/2WZB-ADP/2WZB-ADP_ligand.pdbqt | data/2W/2WZB-ADP/2WZB-ADP_target.pdbqt | data/2W/2WZB-ADP/2WZB-ADP_decoys.pdbqt | data/2W/2WZB-ADP/2WZB-ADP_decoy_scores.csv |
2W3V-TOP | data/2W/2W3V-TOP/2W3V-TOP_ligand.pdbqt | data/2W/2W3V-TOP/2W3V-TOP_target.pdbqt | data/2W/2W3V-TOP/2W3V-TOP_decoys.pdbqt | data/2W/2W3V-TOP/2W3V-TOP_decoy_scores.csv |
2WKQ-GTP | data/2W/2WKQ-GTP/2WKQ-GTP_ligand.pdbqt | data/2W/2WKQ-GTP/2WKQ-GTP_target.pdbqt | data/2W/2WKQ-GTP/2WKQ-GTP_decoys.pdbqt | data/2W/2WKQ-GTP/2WKQ-GTP_decoy_scores.csv |
2WAX-CXS | data/2W/2WAX-CXS/2WAX-CXS_ligand.pdbqt | data/2W/2WAX-CXS/2WAX-CXS_target.pdbqt | data/2W/2WAX-CXS/2WAX-CXS_decoys.pdbqt | data/2W/2WAX-CXS/2WAX-CXS_decoy_scores.csv |
2WWU-BGC | data/2W/2WWU-BGC/2WWU-BGC_ligand.pdbqt | data/2W/2WWU-BGC/2WWU-BGC_target.pdbqt | data/2W/2WWU-BGC/2WWU-BGC_decoys.pdbqt | data/2W/2WWU-BGC/2WWU-BGC_decoy_scores.csv |
2WXP-GD9 | data/2W/2WXP-GD9/2WXP-GD9_ligand.pdbqt | data/2W/2WXP-GD9/2WXP-GD9_target.pdbqt | data/2W/2WXP-GD9/2WXP-GD9_decoys.pdbqt | data/2W/2WXP-GD9/2WXP-GD9_decoy_scores.csv |
2WBP-ARG | data/2W/2WBP-ARG/2WBP-ARG_ligand.pdbqt | data/2W/2WBP-ARG/2WBP-ARG_target.pdbqt | data/2W/2WBP-ARG/2WBP-ARG_decoys.pdbqt | data/2W/2WBP-ARG/2WBP-ARG_decoy_scores.csv |
2WYK-NGE | data/2W/2WYK-NGE/2WYK-NGE_ligand.pdbqt | data/2W/2WYK-NGE/2WYK-NGE_target.pdbqt | data/2W/2WYK-NGE/2WYK-NGE_decoys.pdbqt | data/2W/2WYK-NGE/2WYK-NGE_decoy_scores.csv |
2WC5-BOM | data/2W/2WC5-BOM/2WC5-BOM_ligand.pdbqt | data/2W/2WC5-BOM/2WC5-BOM_target.pdbqt | data/2W/2WC5-BOM/2WC5-BOM_decoys.pdbqt | data/2W/2WC5-BOM/2WC5-BOM_decoy_scores.csv |
2WBW-SIA | data/2W/2WBW-SIA/2WBW-SIA_ligand.pdbqt | data/2W/2WBW-SIA/2WBW-SIA_target.pdbqt | data/2W/2WBW-SIA/2WBW-SIA_decoys.pdbqt | data/2W/2WBW-SIA/2WBW-SIA_decoy_scores.csv |
2W1A-CE1 | data/2W/2W1A-CE1/2W1A-CE1_ligand.pdbqt | data/2W/2W1A-CE1/2W1A-CE1_target.pdbqt | data/2W/2W1A-CE1/2W1A-CE1_decoys.pdbqt | data/2W/2W1A-CE1/2W1A-CE1_decoy_scores.csv |
2WQF-FMN | data/2W/2WQF-FMN/2WQF-FMN_ligand.pdbqt | data/2W/2WQF-FMN/2WQF-FMN_target.pdbqt | data/2W/2WQF-FMN/2WQF-FMN_decoys.pdbqt | data/2W/2WQF-FMN/2WQF-FMN_decoy_scores.csv |
2W0V-LZR | data/2W/2W0V-LZR/2W0V-LZR_ligand.pdbqt | data/2W/2W0V-LZR/2W0V-LZR_target.pdbqt | data/2W/2W0V-LZR/2W0V-LZR_decoys.pdbqt | data/2W/2W0V-LZR/2W0V-LZR_decoy_scores.csv |
2WQP-WQP | data/2W/2WQP-WQP/2WQP-WQP_ligand.pdbqt | data/2W/2WQP-WQP/2WQP-WQP_target.pdbqt | data/2W/2WQP-WQP/2WQP-WQP_decoys.pdbqt | data/2W/2WQP-WQP/2WQP-WQP_decoy_scores.csv |
2WJM-DGA | data/2W/2WJM-DGA/2WJM-DGA_ligand.pdbqt | data/2W/2WJM-DGA/2WJM-DGA_target.pdbqt | data/2W/2WJM-DGA/2WJM-DGA_decoys.pdbqt | data/2W/2WJM-DGA/2WJM-DGA_decoy_scores.csv |
2WI9-1D2 | data/2W/2WI9-1D2/2WI9-1D2_ligand.pdbqt | data/2W/2WI9-1D2/2WI9-1D2_target.pdbqt | data/2W/2WI9-1D2/2WI9-1D2_decoys.pdbqt | data/2W/2WI9-1D2/2WI9-1D2_decoy_scores.csv |
2W5R-GP9 | data/2W/2W5R-GP9/2W5R-GP9_ligand.pdbqt | data/2W/2W5R-GP9/2W5R-GP9_target.pdbqt | data/2W/2W5R-GP9/2W5R-GP9_decoys.pdbqt | data/2W/2W5R-GP9/2W5R-GP9_decoy_scores.csv |
2WKA-P89 | data/2W/2WKA-P89/2WKA-P89_ligand.pdbqt | data/2W/2WKA-P89/2WKA-P89_target.pdbqt | data/2W/2WKA-P89/2WKA-P89_decoys.pdbqt | data/2W/2WKA-P89/2WKA-P89_decoy_scores.csv |
2WA2-SAM | data/2W/2WA2-SAM/2WA2-SAM_ligand.pdbqt | data/2W/2WA2-SAM/2WA2-SAM_target.pdbqt | data/2W/2WA2-SAM/2WA2-SAM_decoys.pdbqt | data/2W/2WA2-SAM/2WA2-SAM_decoy_scores.csv |
2WIH-P48 | data/2W/2WIH-P48/2WIH-P48_ligand.pdbqt | data/2W/2WIH-P48/2WIH-P48_target.pdbqt | data/2W/2WIH-P48/2WIH-P48_decoys.pdbqt | data/2W/2WIH-P48/2WIH-P48_decoy_scores.csv |
2W5I-ATP | data/2W/2W5I-ATP/2W5I-ATP_ligand.pdbqt | data/2W/2W5I-ATP/2W5I-ATP_target.pdbqt | data/2W/2W5I-ATP/2W5I-ATP_decoys.pdbqt | data/2W/2W5I-ATP/2W5I-ATP_decoy_scores.csv |
2WR6-ODT | data/2W/2WR6-ODT/2WR6-ODT_ligand.pdbqt | data/2W/2WR6-ODT/2WR6-ODT_target.pdbqt | data/2W/2WR6-ODT/2WR6-ODT_decoys.pdbqt | data/2W/2WR6-ODT/2WR6-ODT_decoy_scores.csv |
2W71-L23 | data/2W/2W71-L23/2W71-L23_ligand.pdbqt | data/2W/2W71-L23/2W71-L23_target.pdbqt | data/2W/2W71-L23/2W71-L23_decoys.pdbqt | data/2W/2W71-L23/2W71-L23_decoy_scores.csv |
2WBP-ZZU | data/2W/2WBP-ZZU/2WBP-ZZU_ligand.pdbqt | data/2W/2WBP-ZZU/2WBP-ZZU_target.pdbqt | data/2W/2WBP-ZZU/2WBP-ZZU_decoys.pdbqt | data/2W/2WBP-ZZU/2WBP-ZZU_decoy_scores.csv |
2W6P-OA4 | data/2W/2W6P-OA4/2W6P-OA4_ligand.pdbqt | data/2W/2W6P-OA4/2W6P-OA4_target.pdbqt | data/2W/2W6P-OA4/2W6P-OA4_decoys.pdbqt | data/2W/2W6P-OA4/2W6P-OA4_decoy_scores.csv |
2WKM-PFY | data/2W/2WKM-PFY/2WKM-PFY_ligand.pdbqt | data/2W/2WKM-PFY/2WKM-PFY_target.pdbqt | data/2W/2WKM-PFY/2WKM-PFY_decoys.pdbqt | data/2W/2WKM-PFY/2WKM-PFY_decoy_scores.csv |
2WZC-ADP | data/2W/2WZC-ADP/2WZC-ADP_ligand.pdbqt | data/2W/2WZC-ADP/2WZC-ADP_target.pdbqt | null | null |
2WJJ-GDP | data/2W/2WJJ-GDP/2WJJ-GDP_ligand.pdbqt | data/2W/2WJJ-GDP/2WJJ-GDP_target.pdbqt | data/2W/2WJJ-GDP/2WJJ-GDP_decoys.pdbqt | data/2W/2WJJ-GDP/2WJJ-GDP_decoy_scores.csv |
2WYV-NAD | data/2W/2WYV-NAD/2WYV-NAD_ligand.pdbqt | data/2W/2WYV-NAD/2WYV-NAD_target.pdbqt | data/2W/2WYV-NAD/2WYV-NAD_decoys.pdbqt | data/2W/2WYV-NAD/2WYV-NAD_decoy_scores.csv |
2WKQ-FMN | data/2W/2WKQ-FMN/2WKQ-FMN_ligand.pdbqt | data/2W/2WKQ-FMN/2WKQ-FMN_target.pdbqt | data/2W/2WKQ-FMN/2WKQ-FMN_decoys.pdbqt | data/2W/2WKQ-FMN/2WKQ-FMN_decoy_scores.csv |
2WU1-FGS | data/2W/2WU1-FGS/2WU1-FGS_ligand.pdbqt | data/2W/2WU1-FGS/2WU1-FGS_target.pdbqt | data/2W/2WU1-FGS/2WU1-FGS_decoys.pdbqt | data/2W/2WU1-FGS/2WU1-FGS_decoy_scores.csv |
2WF7-G7P | data/2W/2WF7-G7P/2WF7-G7P_ligand.pdbqt | data/2W/2WF7-G7P/2WF7-G7P_target.pdbqt | null | null |
2W02-ATP | data/2W/2W02-ATP/2W02-ATP_ligand.pdbqt | data/2W/2W02-ATP/2W02-ATP_target.pdbqt | data/2W/2W02-ATP/2W02-ATP_decoys.pdbqt | data/2W/2W02-ATP/2W02-ATP_decoy_scores.csv |
2WUT-PLM | data/2W/2WUT-PLM/2WUT-PLM_ligand.pdbqt | data/2W/2WUT-PLM/2WUT-PLM_target.pdbqt | data/2W/2WUT-PLM/2WUT-PLM_decoys.pdbqt | data/2W/2WUT-PLM/2WUT-PLM_decoy_scores.csv |
2WDQ-CBE | data/2W/2WDQ-CBE/2WDQ-CBE_ligand.pdbqt | data/2W/2WDQ-CBE/2WDQ-CBE_target.pdbqt | data/2W/2WDQ-CBE/2WDQ-CBE_decoys.pdbqt | data/2W/2WDQ-CBE/2WDQ-CBE_decoy_scores.csv |
2WOP-ARG | data/2W/2WOP-ARG/2WOP-ARG_ligand.pdbqt | data/2W/2WOP-ARG/2WOP-ARG_target.pdbqt | data/2W/2WOP-ARG/2WOP-ARG_decoys.pdbqt | data/2W/2WOP-ARG/2WOP-ARG_decoy_scores.csv |
2W5Z-SAH | data/2W/2W5Z-SAH/2W5Z-SAH_ligand.pdbqt | data/2W/2W5Z-SAH/2W5Z-SAH_target.pdbqt | data/2W/2W5Z-SAH/2W5Z-SAH_decoys.pdbqt | data/2W/2W5Z-SAH/2W5Z-SAH_decoy_scores.csv |
2WSB-NAD | data/2W/2WSB-NAD/2WSB-NAD_ligand.pdbqt | data/2W/2WSB-NAD/2WSB-NAD_target.pdbqt | data/2W/2WSB-NAD/2WSB-NAD_decoys.pdbqt | data/2W/2WSB-NAD/2WSB-NAD_decoy_scores.csv |
2WEB-PP4 | data/2W/2WEB-PP4/2WEB-PP4_ligand.pdbqt | data/2W/2WEB-PP4/2WEB-PP4_target.pdbqt | data/2W/2WEB-PP4/2WEB-PP4_decoys.pdbqt | data/2W/2WEB-PP4/2WEB-PP4_decoy_scores.csv |
2WF8-G1P | data/2W/2WF8-G1P/2WF8-G1P_ligand.pdbqt | data/2W/2WF8-G1P/2WF8-G1P_target.pdbqt | null | null |
2WJ1-S99 | data/2W/2WJ1-S99/2WJ1-S99_ligand.pdbqt | data/2W/2WJ1-S99/2WJ1-S99_target.pdbqt | data/2W/2WJ1-S99/2WJ1-S99_decoys.pdbqt | data/2W/2WJ1-S99/2WJ1-S99_decoy_scores.csv |
2WVP-C8E | data/2W/2WVP-C8E/2WVP-C8E_ligand.pdbqt | data/2W/2WVP-C8E/2WVP-C8E_target.pdbqt | data/2W/2WVP-C8E/2WVP-C8E_decoys.pdbqt | data/2W/2WVP-C8E/2WVP-C8E_decoy_scores.csv |
2W4I-VGA | data/2W/2W4I-VGA/2W4I-VGA_ligand.pdbqt | data/2W/2W4I-VGA/2W4I-VGA_target.pdbqt | data/2W/2W4I-VGA/2W4I-VGA_decoys.pdbqt | data/2W/2W4I-VGA/2W4I-VGA_decoy_scores.csv |
2WOD-ZZC | data/2W/2WOD-ZZC/2WOD-ZZC_ligand.pdbqt | data/2W/2WOD-ZZC/2WOD-ZZC_target.pdbqt | data/2W/2WOD-ZZC/2WOD-ZZC_decoys.pdbqt | data/2W/2WOD-ZZC/2WOD-ZZC_decoy_scores.csv |
2WO8-023 | data/2W/2WO8-023/2WO8-023_ligand.pdbqt | data/2W/2WO8-023/2WO8-023_target.pdbqt | data/2W/2WO8-023/2WO8-023_decoys.pdbqt | data/2W/2WO8-023/2WO8-023_decoy_scores.csv |
2W9H-TOP | data/2W/2W9H-TOP/2W9H-TOP_ligand.pdbqt | data/2W/2W9H-TOP/2W9H-TOP_target.pdbqt | data/2W/2W9H-TOP/2W9H-TOP_decoys.pdbqt | data/2W/2W9H-TOP/2W9H-TOP_decoy_scores.csv |
2WP6-WP6 | data/2W/2WP6-WP6/2WP6-WP6_ligand.pdbqt | data/2W/2WP6-WP6/2WP6-WP6_target.pdbqt | data/2W/2WP6-WP6/2WP6-WP6_decoys.pdbqt | data/2W/2WP6-WP6/2WP6-WP6_decoy_scores.csv |
2WGE-TLM | data/2W/2WGE-TLM/2WGE-TLM_ligand.pdbqt | data/2W/2WGE-TLM/2WGE-TLM_target.pdbqt | data/2W/2WGE-TLM/2WGE-TLM_decoys.pdbqt | data/2W/2WGE-TLM/2WGE-TLM_decoy_scores.csv |
2WJK-LI1 | data/2W/2WJK-LI1/2WJK-LI1_ligand.pdbqt | data/2W/2WJK-LI1/2WJK-LI1_target.pdbqt | data/2W/2WJK-LI1/2WJK-LI1_decoys.pdbqt | data/2W/2WJK-LI1/2WJK-LI1_decoy_scores.csv |
2WJM-MPG | data/2W/2WJM-MPG/2WJM-MPG_ligand.pdbqt | data/2W/2WJM-MPG/2WJM-MPG_target.pdbqt | data/2W/2WJM-MPG/2WJM-MPG_decoys.pdbqt | data/2W/2WJM-MPG/2WJM-MPG_decoy_scores.csv |
2WZH-NGO | data/2W/2WZH-NGO/2WZH-NGO_ligand.pdbqt | data/2W/2WZH-NGO/2WZH-NGO_target.pdbqt | data/2W/2WZH-NGO/2WZH-NGO_decoys.pdbqt | data/2W/2WZH-NGO/2WZH-NGO_decoy_scores.csv |
2WJ4-HQD | data/2W/2WJ4-HQD/2WJ4-HQD_ligand.pdbqt | data/2W/2WJ4-HQD/2WJ4-HQD_target.pdbqt | data/2W/2WJ4-HQD/2WJ4-HQD_decoys.pdbqt | data/2W/2WJ4-HQD/2WJ4-HQD_decoy_scores.csv |
2WQE-ADP | data/2W/2WQE-ADP/2WQE-ADP_ligand.pdbqt | data/2W/2WQE-ADP/2WQE-ADP_target.pdbqt | data/2W/2WQE-ADP/2WQE-ADP_decoys.pdbqt | data/2W/2WQE-ADP/2WQE-ADP_decoy_scores.csv |
2WU1-16G | data/2W/2WU1-16G/2WU1-16G_ligand.pdbqt | data/2W/2WU1-16G/2WU1-16G_target.pdbqt | data/2W/2WU1-16G/2WU1-16G_decoys.pdbqt | data/2W/2WU1-16G/2WU1-16G_decoy_scores.csv |
2WEU-TRP | data/2W/2WEU-TRP/2WEU-TRP_ligand.pdbqt | data/2W/2WEU-TRP/2WEU-TRP_target.pdbqt | data/2W/2WEU-TRP/2WEU-TRP_decoys.pdbqt | data/2W/2WEU-TRP/2WEU-TRP_decoy_scores.csv |
2WVJ-TTP | data/2W/2WVJ-TTP/2WVJ-TTP_ligand.pdbqt | data/2W/2WVJ-TTP/2WVJ-TTP_target.pdbqt | data/2W/2WVJ-TTP/2WVJ-TTP_decoys.pdbqt | data/2W/2WVJ-TTP/2WVJ-TTP_decoy_scores.csv |
2WJN-MQ7 | data/2W/2WJN-MQ7/2WJN-MQ7_ligand.pdbqt | data/2W/2WJN-MQ7/2WJN-MQ7_target.pdbqt | data/2W/2WJN-MQ7/2WJN-MQ7_decoys.pdbqt | data/2W/2WJN-MQ7/2WJN-MQ7_decoy_scores.csv |
2WD3-MS4 | data/2W/2WD3-MS4/2WD3-MS4_ligand.pdbqt | data/2W/2WD3-MS4/2WD3-MS4_target.pdbqt | data/2W/2WD3-MS4/2WD3-MS4_decoys.pdbqt | data/2W/2WD3-MS4/2WD3-MS4_decoy_scores.csv |
2WJI-GNP | data/2W/2WJI-GNP/2WJI-GNP_ligand.pdbqt | data/2W/2WJI-GNP/2WJI-GNP_target.pdbqt | data/2W/2WJI-GNP/2WJI-GNP_decoys.pdbqt | data/2W/2WJI-GNP/2WJI-GNP_decoy_scores.csv |
2WJM-NS5 | data/2W/2WJM-NS5/2WJM-NS5_ligand.pdbqt | data/2W/2WJM-NS5/2WJM-NS5_target.pdbqt | data/2W/2WJM-NS5/2WJM-NS5_decoys.pdbqt | data/2W/2WJM-NS5/2WJM-NS5_decoy_scores.csv |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.