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 ⌀ |
|---|---|---|---|---|
2AQ8-LYS | data/2A/2AQ8-LYS/2AQ8-LYS_ligand.pdbqt | data/2A/2AQ8-LYS/2AQ8-LYS_target.pdbqt | data/2A/2AQ8-LYS/2AQ8-LYS_decoys.pdbqt | data/2A/2AQ8-LYS/2AQ8-LYS_decoy_scores.csv |
2A49-MA4 | data/2A/2A49-MA4/2A49-MA4_ligand.pdbqt | data/2A/2A49-MA4/2A49-MA4_target.pdbqt | data/2A/2A49-MA4/2A49-MA4_decoys.pdbqt | data/2A/2A49-MA4/2A49-MA4_decoy_scores.csv |
2AY5-IOP | data/2A/2AY5-IOP/2AY5-IOP_ligand.pdbqt | data/2A/2AY5-IOP/2AY5-IOP_target.pdbqt | data/2A/2AY5-IOP/2AY5-IOP_decoys.pdbqt | data/2A/2AY5-IOP/2AY5-IOP_decoy_scores.csv |
2ATI-GLC | data/2A/2ATI-GLC/2ATI-GLC_ligand.pdbqt | data/2A/2ATI-GLC/2ATI-GLC_target.pdbqt | data/2A/2ATI-GLC/2ATI-GLC_decoys.pdbqt | data/2A/2ATI-GLC/2ATI-GLC_decoy_scores.csv |
2AA0-MTP | data/2A/2AA0-MTP/2AA0-MTP_ligand.pdbqt | data/2A/2AA0-MTP/2AA0-MTP_target.pdbqt | data/2A/2AA0-MTP/2AA0-MTP_decoys.pdbqt | data/2A/2AA0-MTP/2AA0-MTP_decoy_scores.csv |
2A0Q-NDG | data/2A/2A0Q-NDG/2A0Q-NDG_ligand.pdbqt | data/2A/2A0Q-NDG/2A0Q-NDG_target.pdbqt | data/2A/2A0Q-NDG/2A0Q-NDG_decoys.pdbqt | data/2A/2A0Q-NDG/2A0Q-NDG_decoy_scores.csv |
2A1M-CAM | data/2A/2A1M-CAM/2A1M-CAM_ligand.pdbqt | data/2A/2A1M-CAM/2A1M-CAM_target.pdbqt | data/2A/2A1M-CAM/2A1M-CAM_decoys.pdbqt | data/2A/2A1M-CAM/2A1M-CAM_decoy_scores.csv |
2AGY-TSH | data/2A/2AGY-TSH/2AGY-TSH_ligand.pdbqt | data/2A/2AGY-TSH/2AGY-TSH_target.pdbqt | data/2A/2AGY-TSH/2AGY-TSH_decoys.pdbqt | data/2A/2AGY-TSH/2AGY-TSH_decoy_scores.csv |
2A78-GDP | data/2A/2A78-GDP/2A78-GDP_ligand.pdbqt | data/2A/2A78-GDP/2A78-GDP_target.pdbqt | data/2A/2A78-GDP/2A78-GDP_decoys.pdbqt | data/2A/2A78-GDP/2A78-GDP_decoy_scores.csv |
2AZY-CHD | data/2A/2AZY-CHD/2AZY-CHD_ligand.pdbqt | data/2A/2AZY-CHD/2AZY-CHD_target.pdbqt | data/2A/2AZY-CHD/2AZY-CHD_decoys.pdbqt | data/2A/2AZY-CHD/2AZY-CHD_decoy_scores.csv |
2AY1-AHC | data/2A/2AY1-AHC/2AY1-AHC_ligand.pdbqt | data/2A/2AY1-AHC/2AY1-AHC_target.pdbqt | data/2A/2AY1-AHC/2AY1-AHC_decoys.pdbqt | data/2A/2AY1-AHC/2AY1-AHC_decoy_scores.csv |
2A2D-A2G | data/2A/2A2D-A2G/2A2D-A2G_ligand.pdbqt | data/2A/2A2D-A2G/2A2D-A2G_target.pdbqt | data/2A/2A2D-A2G/2A2D-A2G_decoys.pdbqt | data/2A/2A2D-A2G/2A2D-A2G_decoy_scores.csv |
2AIE-SB9 | data/2A/2AIE-SB9/2AIE-SB9_ligand.pdbqt | data/2A/2AIE-SB9/2AIE-SB9_target.pdbqt | data/2A/2AIE-SB9/2AIE-SB9_decoys.pdbqt | data/2A/2AIE-SB9/2AIE-SB9_decoy_scores.csv |
2A4O-NFA | data/2A/2A4O-NFA/2A4O-NFA_ligand.pdbqt | data/2A/2A4O-NFA/2A4O-NFA_target.pdbqt | data/2A/2A4O-NFA/2A4O-NFA_decoys.pdbqt | data/2A/2A4O-NFA/2A4O-NFA_decoy_scores.csv |
2AH4-GBS | data/2A/2AH4-GBS/2AH4-GBS_ligand.pdbqt | data/2A/2AH4-GBS/2AH4-GBS_target.pdbqt | data/2A/2AH4-GBS/2AH4-GBS_decoys.pdbqt | data/2A/2AH4-GBS/2AH4-GBS_decoy_scores.csv |
2AH0-TSC | data/2A/2AH0-TSC/2AH0-TSC_ligand.pdbqt | data/2A/2AH0-TSC/2AH0-TSC_target.pdbqt | data/2A/2AH0-TSC/2AH0-TSC_decoys.pdbqt | data/2A/2AH0-TSC/2AH0-TSC_decoy_scores.csv |
2A1H-GBN | data/2A/2A1H-GBN/2A1H-GBN_ligand.pdbqt | data/2A/2A1H-GBN/2A1H-GBN_target.pdbqt | data/2A/2A1H-GBN/2A1H-GBN_decoys.pdbqt | data/2A/2A1H-GBN/2A1H-GBN_decoy_scores.csv |
2AI7-SB7 | data/2A/2AI7-SB7/2AI7-SB7_ligand.pdbqt | data/2A/2AI7-SB7/2AI7-SB7_target.pdbqt | data/2A/2AI7-SB7/2AI7-SB7_decoys.pdbqt | data/2A/2AI7-SB7/2AI7-SB7_decoy_scores.csv |
2ARP-1PG | data/2A/2ARP-1PG/2ARP-1PG_ligand.pdbqt | data/2A/2ARP-1PG/2ARP-1PG_target.pdbqt | data/2A/2ARP-1PG/2ARP-1PG_decoys.pdbqt | data/2A/2ARP-1PG/2ARP-1PG_decoy_scores.csv |
2A2Q-PBZ | data/2A/2A2Q-PBZ/2A2Q-PBZ_ligand.pdbqt | data/2A/2A2Q-PBZ/2A2Q-PBZ_target.pdbqt | data/2A/2A2Q-PBZ/2A2Q-PBZ_decoys.pdbqt | data/2A/2A2Q-PBZ/2A2Q-PBZ_decoy_scores.csv |
2A2R-GSN | data/2A/2A2R-GSN/2A2R-GSN_ligand.pdbqt | data/2A/2A2R-GSN/2A2R-GSN_target.pdbqt | data/2A/2A2R-GSN/2A2R-GSN_decoys.pdbqt | data/2A/2A2R-GSN/2A2R-GSN_decoy_scores.csv |
2A8T-ADN | data/2A/2A8T-ADN/2A8T-ADN_ligand.pdbqt | data/2A/2A8T-ADN/2A8T-ADN_target.pdbqt | data/2A/2A8T-ADN/2A8T-ADN_decoys.pdbqt | data/2A/2A8T-ADN/2A8T-ADN_decoy_scores.csv |
2A2C-NG1 | data/2A/2A2C-NG1/2A2C-NG1_ligand.pdbqt | data/2A/2A2C-NG1/2A2C-NG1_target.pdbqt | data/2A/2A2C-NG1/2A2C-NG1_decoys.pdbqt | data/2A/2A2C-NG1/2A2C-NG1_decoy_scores.csv |
2A5H-LYS | data/2A/2A5H-LYS/2A5H-LYS_ligand.pdbqt | data/2A/2A5H-LYS/2A5H-LYS_target.pdbqt | data/2A/2A5H-LYS/2A5H-LYS_decoys.pdbqt | data/2A/2A5H-LYS/2A5H-LYS_decoy_scores.csv |
2A9J-3PG | data/2A/2A9J-3PG/2A9J-3PG_ligand.pdbqt | data/2A/2A9J-3PG/2A9J-3PG_target.pdbqt | data/2A/2A9J-3PG/2A9J-3PG_decoys.pdbqt | data/2A/2A9J-3PG/2A9J-3PG_decoy_scores.csv |
2A6H-STD | data/2A/2A6H-STD/2A6H-STD_ligand.pdbqt | data/2A/2A6H-STD/2A6H-STD_target.pdbqt | data/2A/2A6H-STD/2A6H-STD_decoys.pdbqt | data/2A/2A6H-STD/2A6H-STD_decoy_scores.csv |
2A4R-BNH | data/2A/2A4R-BNH/2A4R-BNH_ligand.pdbqt | data/2A/2A4R-BNH/2A4R-BNH_target.pdbqt | data/2A/2A4R-BNH/2A4R-BNH_decoys.pdbqt | data/2A/2A4R-BNH/2A4R-BNH_decoy_scores.csv |
2ACK-EDR | data/2A/2ACK-EDR/2ACK-EDR_ligand.pdbqt | data/2A/2ACK-EDR/2ACK-EDR_target.pdbqt | data/2A/2ACK-EDR/2ACK-EDR_decoys.pdbqt | data/2A/2ACK-EDR/2ACK-EDR_decoy_scores.csv |
2AY7-CLT | data/2A/2AY7-CLT/2AY7-CLT_ligand.pdbqt | data/2A/2AY7-CLT/2AY7-CLT_target.pdbqt | data/2A/2AY7-CLT/2AY7-CLT_decoys.pdbqt | data/2A/2AY7-CLT/2AY7-CLT_decoy_scores.csv |
2A3Y-CPJ | data/2A/2A3Y-CPJ/2A3Y-CPJ_ligand.pdbqt | data/2A/2A3Y-CPJ/2A3Y-CPJ_target.pdbqt | data/2A/2A3Y-CPJ/2A3Y-CPJ_decoys.pdbqt | data/2A/2A3Y-CPJ/2A3Y-CPJ_decoy_scores.csv |
2AG2-LP3 | data/2A/2AG2-LP3/2AG2-LP3_ligand.pdbqt | data/2A/2AG2-LP3/2AG2-LP3_target.pdbqt | data/2A/2AG2-LP3/2AG2-LP3_decoys.pdbqt | data/2A/2AG2-LP3/2AG2-LP3_decoy_scores.csv |
2AAX-PDN | data/2A/2AAX-PDN/2AAX-PDN_ligand.pdbqt | data/2A/2AAX-PDN/2AAX-PDN_target.pdbqt | data/2A/2AAX-PDN/2AAX-PDN_decoys.pdbqt | data/2A/2AAX-PDN/2AAX-PDN_decoy_scores.csv |
2AJL-JNH | data/2A/2AJL-JNH/2AJL-JNH_ligand.pdbqt | data/2A/2AJL-JNH/2AJL-JNH_target.pdbqt | data/2A/2AJL-JNH/2AJL-JNH_decoys.pdbqt | data/2A/2AJL-JNH/2AJL-JNH_decoy_scores.csv |
2AMT-GPP | data/2A/2AMT-GPP/2AMT-GPP_ligand.pdbqt | data/2A/2AMT-GPP/2AMT-GPP_target.pdbqt | data/2A/2AMT-GPP/2AMT-GPP_decoys.pdbqt | data/2A/2AMT-GPP/2AMT-GPP_decoy_scores.csv |
2AAZ-UMP | data/2A/2AAZ-UMP/2AAZ-UMP_ligand.pdbqt | data/2A/2AAZ-UMP/2AAZ-UMP_target.pdbqt | data/2A/2AAZ-UMP/2AAZ-UMP_decoys.pdbqt | data/2A/2AAZ-UMP/2AAZ-UMP_decoy_scores.csv |
2AZR-982 | data/2A/2AZR-982/2AZR-982_ligand.pdbqt | data/2A/2AZR-982/2AZR-982_target.pdbqt | data/2A/2AZR-982/2AZR-982_decoys.pdbqt | data/2A/2AZR-982/2AZR-982_decoy_scores.csv |
2AB6-GSM | data/2A/2AB6-GSM/2AB6-GSM_ligand.pdbqt | data/2A/2AB6-GSM/2AB6-GSM_target.pdbqt | data/2A/2AB6-GSM/2AB6-GSM_decoys.pdbqt | data/2A/2AB6-GSM/2AB6-GSM_decoy_scores.csv |
2A06-SMA | data/2A/2A06-SMA/2A06-SMA_ligand.pdbqt | data/2A/2A06-SMA/2A06-SMA_target.pdbqt | data/2A/2A06-SMA/2A06-SMA_decoys.pdbqt | data/2A/2A06-SMA/2A06-SMA_decoy_scores.csv |
2AA3-AP0 | data/2A/2AA3-AP0/2AA3-AP0_ligand.pdbqt | data/2A/2AA3-AP0/2AA3-AP0_target.pdbqt | data/2A/2AA3-AP0/2AA3-AP0_decoys.pdbqt | data/2A/2AA3-AP0/2AA3-AP0_decoy_scores.csv |
2AD8-PQQ | data/2A/2AD8-PQQ/2AD8-PQQ_ligand.pdbqt | data/2A/2AD8-PQQ/2AD8-PQQ_target.pdbqt | data/2A/2AD8-PQQ/2AD8-PQQ_decoys.pdbqt | data/2A/2AD8-PQQ/2AD8-PQQ_decoy_scores.csv |
2AY4-PPT | data/2A/2AY4-PPT/2AY4-PPT_ligand.pdbqt | data/2A/2AY4-PPT/2AY4-PPT_target.pdbqt | data/2A/2AY4-PPT/2AY4-PPT_decoys.pdbqt | data/2A/2AY4-PPT/2AY4-PPT_decoy_scores.csv |
2A32-CXS | data/2A/2A32-CXS/2A32-CXS_ligand.pdbqt | data/2A/2A32-CXS/2A32-CXS_target.pdbqt | null | null |
2AMV-BIN | data/2A/2AMV-BIN/2AMV-BIN_ligand.pdbqt | data/2A/2AMV-BIN/2AMV-BIN_target.pdbqt | data/2A/2AMV-BIN/2AMV-BIN_decoys.pdbqt | data/2A/2AMV-BIN/2AMV-BIN_decoy_scores.csv |
2AWH-VCA | data/2A/2AWH-VCA/2AWH-VCA_ligand.pdbqt | data/2A/2AWH-VCA/2AWH-VCA_target.pdbqt | data/2A/2AWH-VCA/2AWH-VCA_decoys.pdbqt | data/2A/2AWH-VCA/2AWH-VCA_decoy_scores.csv |
2AB8-MTP | data/2A/2AB8-MTP/2AB8-MTP_ligand.pdbqt | data/2A/2AB8-MTP/2AB8-MTP_target.pdbqt | data/2A/2AB8-MTP/2AB8-MTP_decoys.pdbqt | data/2A/2AB8-MTP/2AB8-MTP_decoy_scores.csv |
2A21-PEP | data/2A/2A21-PEP/2A21-PEP_ligand.pdbqt | data/2A/2A21-PEP/2A21-PEP_target.pdbqt | data/2A/2A21-PEP/2A21-PEP_decoys.pdbqt | data/2A/2A21-PEP/2A21-PEP_decoy_scores.csv |
2AOV-4DI | data/2A/2AOV-4DI/2AOV-4DI_ligand.pdbqt | data/2A/2AOV-4DI/2AOV-4DI_target.pdbqt | data/2A/2AOV-4DI/2AOV-4DI_decoys.pdbqt | data/2A/2AOV-4DI/2AOV-4DI_decoy_scores.csv |
2AAY-SKM | data/2A/2AAY-SKM/2AAY-SKM_ligand.pdbqt | data/2A/2AAY-SKM/2AAY-SKM_target.pdbqt | data/2A/2AAY-SKM/2AAY-SKM_decoys.pdbqt | data/2A/2AAY-SKM/2AAY-SKM_decoy_scores.csv |
2A19-ANP | data/2A/2A19-ANP/2A19-ANP_ligand.pdbqt | data/2A/2A19-ANP/2A19-ANP_target.pdbqt | data/2A/2A19-ANP/2A19-ANP_decoys.pdbqt | data/2A/2A19-ANP/2A19-ANP_decoy_scores.csv |
2A3I-C0R | data/2A/2A3I-C0R/2A3I-C0R_ligand.pdbqt | data/2A/2A3I-C0R/2A3I-C0R_target.pdbqt | data/2A/2A3I-C0R/2A3I-C0R_decoys.pdbqt | data/2A/2A3I-C0R/2A3I-C0R_decoy_scores.csv |
2AGS-FKD | data/2A/2AGS-FKD/2AGS-FKD_ligand.pdbqt | data/2A/2AGS-FKD/2AGS-FKD_target.pdbqt | data/2A/2AGS-FKD/2AGS-FKD_decoys.pdbqt | data/2A/2AGS-FKD/2AGS-FKD_decoy_scores.csv |
2A26-CXS | data/2A/2A26-CXS/2A26-CXS_ligand.pdbqt | data/2A/2A26-CXS/2A26-CXS_target.pdbqt | data/2A/2A26-CXS/2A26-CXS_decoys.pdbqt | data/2A/2A26-CXS/2A26-CXS_decoy_scores.csv |
2AD6-PQQ | data/2A/2AD6-PQQ/2AD6-PQQ_ligand.pdbqt | data/2A/2AD6-PQQ/2AD6-PQQ_target.pdbqt | data/2A/2AD6-PQQ/2AD6-PQQ_decoys.pdbqt | data/2A/2AD6-PQQ/2AD6-PQQ_decoy_scores.csv |
2AN5-TTL | data/2A/2AN5-TTL/2AN5-TTL_ligand.pdbqt | data/2A/2AN5-TTL/2AN5-TTL_target.pdbqt | data/2A/2AN5-TTL/2AN5-TTL_decoys.pdbqt | data/2A/2AN5-TTL/2AN5-TTL_decoy_scores.csv |
2A5J-GDP | data/2A/2A5J-GDP/2A5J-GDP_ligand.pdbqt | data/2A/2A5J-GDP/2A5J-GDP_target.pdbqt | data/2A/2A5J-GDP/2A5J-GDP_decoys.pdbqt | data/2A/2A5J-GDP/2A5J-GDP_decoy_scores.csv |
2ASP-ATP | data/2A/2ASP-ATP/2ASP-ATP_ligand.pdbqt | data/2A/2ASP-ATP/2ASP-ATP_target.pdbqt | data/2A/2ASP-ATP/2ASP-ATP_decoys.pdbqt | data/2A/2ASP-ATP/2ASP-ATP_decoy_scores.csv |
2AWH-B7G | data/2A/2AWH-B7G/2AWH-B7G_ligand.pdbqt | data/2A/2AWH-B7G/2AWH-B7G_target.pdbqt | data/2A/2AWH-B7G/2AWH-B7G_decoys.pdbqt | data/2A/2AWH-B7G/2AWH-B7G_decoy_scores.csv |
2AG2-CH5 | data/2A/2AG2-CH5/2AG2-CH5_ligand.pdbqt | data/2A/2AG2-CH5/2AG2-CH5_target.pdbqt | data/2A/2AG2-CH5/2AG2-CH5_decoys.pdbqt | data/2A/2AG2-CH5/2AG2-CH5_decoy_scores.csv |
2AOV-C2M | data/2A/2AOV-C2M/2AOV-C2M_ligand.pdbqt | data/2A/2AOV-C2M/2AOV-C2M_target.pdbqt | data/2A/2AOV-C2M/2AOV-C2M_decoys.pdbqt | data/2A/2AOV-C2M/2AOV-C2M_decoy_scores.csv |
2ASM-ATP | data/2A/2ASM-ATP/2ASM-ATP_ligand.pdbqt | data/2A/2ASM-ATP/2ASM-ATP_target.pdbqt | data/2A/2ASM-ATP/2ASM-ATP_decoys.pdbqt | data/2A/2ASM-ATP/2ASM-ATP_decoy_scores.csv |
2AL5-4MP | data/2A/2AL5-4MP/2AL5-4MP_ligand.pdbqt | data/2A/2AL5-4MP/2AL5-4MP_target.pdbqt | data/2A/2AL5-4MP/2AL5-4MP_decoys.pdbqt | data/2A/2AL5-4MP/2AL5-4MP_decoy_scores.csv |
6XAE-Z7F | data/6X/6XAE-Z7F/6XAE-Z7F_ligand.pdbqt | data/6X/6XAE-Z7F/6XAE-Z7F_target.pdbqt | data/6X/6XAE-Z7F/6XAE-Z7F_decoys.pdbqt | data/6X/6XAE-Z7F/6XAE-Z7F_decoy_scores.csv |
6XAI-QRP | data/6X/6XAI-QRP/6XAI-QRP_ligand.pdbqt | data/6X/6XAI-QRP/6XAI-QRP_target.pdbqt | data/6X/6XAI-QRP/6XAI-QRP_decoys.pdbqt | data/6X/6XAI-QRP/6XAI-QRP_decoy_scores.csv |
6XCE-UZM | data/6X/6XCE-UZM/6XCE-UZM_ligand.pdbqt | data/6X/6XCE-UZM/6XCE-UZM_target.pdbqt | data/6X/6XCE-UZM/6XCE-UZM_decoys.pdbqt | data/6X/6XCE-UZM/6XCE-UZM_decoy_scores.csv |
6XK6-V57 | data/6X/6XK6-V57/6XK6-V57_ligand.pdbqt | data/6X/6XK6-V57/6XK6-V57_target.pdbqt | data/6X/6XK6-V57/6XK6-V57_decoys.pdbqt | data/6X/6XK6-V57/6XK6-V57_decoy_scores.csv |
6X4B-UMY | data/6X/6X4B-UMY/6X4B-UMY_ligand.pdbqt | data/6X/6X4B-UMY/6X4B-UMY_target.pdbqt | data/6X/6X4B-UMY/6X4B-UMY_decoys.pdbqt | data/6X/6X4B-UMY/6X4B-UMY_decoy_scores.csv |
6X4K-UOP | data/6X/6X4K-UOP/6X4K-UOP_ligand.pdbqt | data/6X/6X4K-UOP/6X4K-UOP_target.pdbqt | data/6X/6X4K-UOP/6X4K-UOP_decoys.pdbqt | data/6X/6X4K-UOP/6X4K-UOP_decoy_scores.csv |
6XQ8-V6P | data/6X/6XQ8-V6P/6XQ8-V6P_ligand.pdbqt | data/6X/6XQ8-V6P/6XQ8-V6P_target.pdbqt | data/6X/6XQ8-V6P/6XQ8-V6P_decoys.pdbqt | data/6X/6XQ8-V6P/6XQ8-V6P_decoy_scores.csv |
6XJS-GNP | data/6X/6XJS-GNP/6XJS-GNP_ligand.pdbqt | data/6X/6XJS-GNP/6XJS-GNP_target.pdbqt | data/6X/6XJS-GNP/6XJS-GNP_decoys.pdbqt | data/6X/6XJS-GNP/6XJS-GNP_decoy_scores.csv |
6XVY-PLM | data/6X/6XVY-PLM/6XVY-PLM_ligand.pdbqt | data/6X/6XVY-PLM/6XVY-PLM_target.pdbqt | data/6X/6XVY-PLM/6XVY-PLM_decoys.pdbqt | data/6X/6XVY-PLM/6XVY-PLM_decoy_scores.csv |
6XAF-GDP | data/6X/6XAF-GDP/6XAF-GDP_ligand.pdbqt | data/6X/6XAF-GDP/6XAF-GDP_target.pdbqt | data/6X/6XAF-GDP/6XAF-GDP_decoys.pdbqt | data/6X/6XAF-GDP/6XAF-GDP_decoy_scores.csv |
6X1Y-UKV | data/6X/6X1Y-UKV/6X1Y-UKV_ligand.pdbqt | data/6X/6X1Y-UKV/6X1Y-UKV_target.pdbqt | data/6X/6X1Y-UKV/6X1Y-UKV_decoys.pdbqt | data/6X/6X1Y-UKV/6X1Y-UKV_decoy_scores.csv |
6XOI-VBA | data/6X/6XOI-VBA/6XOI-VBA_ligand.pdbqt | data/6X/6XOI-VBA/6XOI-VBA_target.pdbqt | data/6X/6XOI-VBA/6XOI-VBA_decoys.pdbqt | data/6X/6XOI-VBA/6XOI-VBA_decoy_scores.csv |
6XY5-O4E | data/6X/6XY5-O4E/6XY5-O4E_ligand.pdbqt | data/6X/6XY5-O4E/6XY5-O4E_target.pdbqt | data/6X/6XY5-O4E/6XY5-O4E_decoys.pdbqt | data/6X/6XY5-O4E/6XY5-O4E_decoy_scores.csv |
6XQ7-V6V | data/6X/6XQ7-V6V/6XQ7-V6V_ligand.pdbqt | data/6X/6XQ7-V6V/6XQ7-V6V_target.pdbqt | data/6X/6XQ7-V6V/6XQ7-V6V_decoys.pdbqt | data/6X/6XQ7-V6V/6XQ7-V6V_decoy_scores.csv |
6XUG-O1Q | data/6X/6XUG-O1Q/6XUG-O1Q_ligand.pdbqt | data/6X/6XUG-O1Q/6XUG-O1Q_target.pdbqt | data/6X/6XUG-O1Q/6XUG-O1Q_decoys.pdbqt | data/6X/6XUG-O1Q/6XUG-O1Q_decoy_scores.csv |
6XUI-PA5 | data/6X/6XUI-PA5/6XUI-PA5_ligand.pdbqt | data/6X/6XUI-PA5/6XUI-PA5_target.pdbqt | data/6X/6XUI-PA5/6XUI-PA5_decoys.pdbqt | data/6X/6XUI-PA5/6XUI-PA5_decoy_scores.csv |
6XD1-V0J | data/6X/6XD1-V0J/6XD1-V0J_ligand.pdbqt | data/6X/6XD1-V0J/6XD1-V0J_target.pdbqt | data/6X/6XD1-V0J/6XD1-V0J_decoys.pdbqt | data/6X/6XD1-V0J/6XD1-V0J_decoy_scores.csv |
6X39-SOR | data/6X/6X39-SOR/6X39-SOR_ligand.pdbqt | data/6X/6X39-SOR/6X39-SOR_target.pdbqt | data/6X/6X39-SOR/6X39-SOR_decoys.pdbqt | data/6X/6X39-SOR/6X39-SOR_decoy_scores.csv |
6XYA-MGP | data/6X/6XYA-MGP/6XYA-MGP_ligand.pdbqt | data/6X/6XYA-MGP/6XYA-MGP_target.pdbqt | data/6X/6XYA-MGP/6XYA-MGP_decoys.pdbqt | data/6X/6XYA-MGP/6XYA-MGP_decoy_scores.csv |
6XQ5-V6M | data/6X/6XQ5-V6M/6XQ5-V6M_ligand.pdbqt | data/6X/6XQ5-V6M/6XQ5-V6M_target.pdbqt | data/6X/6XQ5-V6M/6XQ5-V6M_decoys.pdbqt | data/6X/6XQ5-V6M/6XQ5-V6M_decoy_scores.csv |
6XUW-PLM | data/6X/6XUW-PLM/6XUW-PLM_ligand.pdbqt | data/6X/6XUW-PLM/6XUW-PLM_target.pdbqt | data/6X/6XUW-PLM/6XUW-PLM_decoys.pdbqt | data/6X/6XUW-PLM/6XUW-PLM_decoy_scores.csv |
6XRH-VCP | data/6X/6XRH-VCP/6XRH-VCP_ligand.pdbqt | data/6X/6XRH-VCP/6XRH-VCP_target.pdbqt | data/6X/6XRH-VCP/6XRH-VCP_decoys.pdbqt | data/6X/6XRH-VCP/6XRH-VCP_decoy_scores.csv |
6XCX-V0P | data/6X/6XCX-V0P/6XCX-V0P_ligand.pdbqt | data/6X/6XCX-V0P/6XCX-V0P_target.pdbqt | data/6X/6XCX-V0P/6XCX-V0P_decoys.pdbqt | data/6X/6XCX-V0P/6XCX-V0P_decoy_scores.csv |
6XJU-GNP | data/6X/6XJU-GNP/6XJU-GNP_ligand.pdbqt | data/6X/6XJU-GNP/6XJU-GNP_target.pdbqt | data/6X/6XJU-GNP/6XJU-GNP_decoys.pdbqt | data/6X/6XJU-GNP/6XJU-GNP_decoy_scores.csv |
6X4N-UOD | data/6X/6X4N-UOD/6X4N-UOD_ligand.pdbqt | data/6X/6X4N-UOD/6X4N-UOD_target.pdbqt | data/6X/6X4N-UOD/6X4N-UOD_decoys.pdbqt | data/6X/6X4N-UOD/6X4N-UOD_decoy_scores.csv |
6X2S-GNP | data/6X/6X2S-GNP/6X2S-GNP_ligand.pdbqt | data/6X/6X2S-GNP/6X2S-GNP_target.pdbqt | data/6X/6X2S-GNP/6X2S-GNP_decoys.pdbqt | data/6X/6X2S-GNP/6X2S-GNP_decoy_scores.csv |
6XHE-V2J | data/6X/6XHE-V2J/6XHE-V2J_ligand.pdbqt | data/6X/6XHE-V2J/6XHE-V2J_target.pdbqt | data/6X/6XHE-V2J/6XHE-V2J_decoys.pdbqt | data/6X/6XHE-V2J/6XHE-V2J_decoy_scores.csv |
6XES-GDP | data/6X/6XES-GDP/6XES-GDP_ligand.pdbqt | data/6X/6XES-GDP/6XES-GDP_target.pdbqt | data/6X/6XES-GDP/6XES-GDP_decoys.pdbqt | data/6X/6XES-GDP/6XES-GDP_decoy_scores.csv |
6XXI-NAD | data/6X/6XXI-NAD/6XXI-NAD_ligand.pdbqt | data/6X/6XXI-NAD/6XXI-NAD_target.pdbqt | data/6X/6XXI-NAD/6XXI-NAD_decoys.pdbqt | data/6X/6XXI-NAD/6XXI-NAD_decoy_scores.csv |
6XK7-V5G | data/6X/6XK7-V5G/6XK7-V5G_ligand.pdbqt | data/6X/6XK7-V5G/6XK7-V5G_target.pdbqt | data/6X/6XK7-V5G/6XK7-V5G_decoys.pdbqt | data/6X/6XK7-V5G/6XK7-V5G_decoy_scores.csv |
6XR3-V7G | data/6X/6XR3-V7G/6XR3-V7G_ligand.pdbqt | data/6X/6XR3-V7G/6XR3-V7G_target.pdbqt | data/6X/6XR3-V7G/6XR3-V7G_decoys.pdbqt | data/6X/6XR3-V7G/6XR3-V7G_decoy_scores.csv |
6XMC-V5G | data/6X/6XMC-V5G/6XMC-V5G_ligand.pdbqt | data/6X/6XMC-V5G/6XMC-V5G_target.pdbqt | data/6X/6XMC-V5G/6XMC-V5G_decoys.pdbqt | data/6X/6XMC-V5G/6XMC-V5G_decoy_scores.csv |
6XDD-N97 | data/6X/6XDD-N97/6XDD-N97_ligand.pdbqt | data/6X/6XDD-N97/6XDD-N97_target.pdbqt | data/6X/6XDD-N97/6XDD-N97_decoys.pdbqt | data/6X/6XDD-N97/6XDD-N97_decoy_scores.csv |
6XAM-WMA | data/6X/6XAM-WMA/6XAM-WMA_ligand.pdbqt | data/6X/6XAM-WMA/6XAM-WMA_target.pdbqt | data/6X/6XAM-WMA/6XAM-WMA_decoys.pdbqt | data/6X/6XAM-WMA/6XAM-WMA_decoy_scores.csv |
6XHM-V2M | data/6X/6XHM-V2M/6XHM-V2M_ligand.pdbqt | data/6X/6XHM-V2M/6XHM-V2M_target.pdbqt | data/6X/6XHM-V2M/6XHM-V2M_decoys.pdbqt | data/6X/6XHM-V2M/6XHM-V2M_decoy_scores.csv |
6XJ8-8YF | data/6X/6XJ8-8YF/6XJ8-8YF_ligand.pdbqt | data/6X/6XJ8-8YF/6XJ8-8YF_target.pdbqt | data/6X/6XJ8-8YF/6XJ8-8YF_decoys.pdbqt | data/6X/6XJ8-8YF/6XJ8-8YF_decoy_scores.csv |
6XD2-017 | data/6X/6XD2-017/6XD2-017_ligand.pdbqt | data/6X/6XD2-017/6XD2-017_target.pdbqt | data/6X/6XD2-017/6XD2-017_decoys.pdbqt | data/6X/6XD2-017/6XD2-017_decoy_scores.csv |
6X3D-ULM | data/6X/6X3D-ULM/6X3D-ULM_ligand.pdbqt | data/6X/6X3D-ULM/6X3D-ULM_target.pdbqt | data/6X/6X3D-ULM/6X3D-ULM_decoys.pdbqt | data/6X/6X3D-ULM/6X3D-ULM_decoy_scores.csv |
6XHT-V2V | data/6X/6XHT-V2V/6XHT-V2V_ligand.pdbqt | data/6X/6XHT-V2V/6XHT-V2V_target.pdbqt | data/6X/6XHT-V2V/6XHT-V2V_decoys.pdbqt | data/6X/6XHT-V2V/6XHT-V2V_decoy_scores.csv |
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