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 ⌀ |
|---|---|---|---|---|
1PHG-MYT | data/1P/1PHG-MYT/1PHG-MYT_ligand.pdbqt | data/1P/1PHG-MYT/1PHG-MYT_target.pdbqt | data/1P/1PHG-MYT/1PHG-MYT_decoys.pdbqt | data/1P/1PHG-MYT/1PHG-MYT_decoy_scores.csv |
1P84-UMQ | data/1P/1P84-UMQ/1P84-UMQ_ligand.pdbqt | data/1P/1P84-UMQ/1P84-UMQ_target.pdbqt | data/1P/1P84-UMQ/1P84-UMQ_decoys.pdbqt | data/1P/1P84-UMQ/1P84-UMQ_decoy_scores.csv |
1PXA-PHB | data/1P/1PXA-PHB/1PXA-PHB_ligand.pdbqt | data/1P/1PXA-PHB/1PXA-PHB_target.pdbqt | data/1P/1PXA-PHB/1PXA-PHB_decoys.pdbqt | data/1P/1PXA-PHB/1PXA-PHB_decoy_scores.csv |
1P6C-EBP | data/1P/1P6C-EBP/1P6C-EBP_ligand.pdbqt | data/1P/1P6C-EBP/1P6C-EBP_target.pdbqt | data/1P/1P6C-EBP/1P6C-EBP_decoys.pdbqt | data/1P/1P6C-EBP/1P6C-EBP_decoy_scores.csv |
1P52-DAR | data/1P/1P52-DAR/1P52-DAR_ligand.pdbqt | data/1P/1P52-DAR/1P52-DAR_target.pdbqt | data/1P/1P52-DAR/1P52-DAR_decoys.pdbqt | data/1P/1P52-DAR/1P52-DAR_decoy_scores.csv |
1PPK-HSY | data/1P/1PPK-HSY/1PPK-HSY_ligand.pdbqt | data/1P/1PPK-HSY/1PPK-HSY_target.pdbqt | data/1P/1PPK-HSY/1PPK-HSY_decoys.pdbqt | data/1P/1PPK-HSY/1PPK-HSY_decoy_scores.csv |
1PNM-PMS | data/1P/1PNM-PMS/1PNM-PMS_ligand.pdbqt | data/1P/1PNM-PMS/1PNM-PMS_target.pdbqt | data/1P/1PNM-PMS/1PNM-PMS_decoys.pdbqt | data/1P/1PNM-PMS/1PNM-PMS_decoy_scores.csv |
1PXS-RET | data/1P/1PXS-RET/1PXS-RET_ligand.pdbqt | data/1P/1PXS-RET/1PXS-RET_target.pdbqt | data/1P/1PXS-RET/1PXS-RET_decoys.pdbqt | data/1P/1PXS-RET/1PXS-RET_decoy_scores.csv |
1P1C-SAH | data/1P/1P1C-SAH/1P1C-SAH_ligand.pdbqt | data/1P/1P1C-SAH/1P1C-SAH_target.pdbqt | null | null |
1PWC-PNM | data/1P/1PWC-PNM/1PWC-PNM_ligand.pdbqt | data/1P/1PWC-PNM/1PWC-PNM_target.pdbqt | data/1P/1PWC-PNM/1PWC-PNM_decoys.pdbqt | data/1P/1PWC-PNM/1PWC-PNM_decoy_scores.csv |
1PR5-TBN | data/1P/1PR5-TBN/1PR5-TBN_ligand.pdbqt | data/1P/1PR5-TBN/1PR5-TBN_target.pdbqt | data/1P/1PR5-TBN/1PR5-TBN_decoys.pdbqt | data/1P/1PR5-TBN/1PR5-TBN_decoy_scores.csv |
1P6I-H4B | data/1P/1P6I-H4B/1P6I-H4B_ligand.pdbqt | data/1P/1P6I-H4B/1P6I-H4B_target.pdbqt | data/1P/1P6I-H4B/1P6I-H4B_decoys.pdbqt | data/1P/1P6I-H4B/1P6I-H4B_decoy_scores.csv |
1P1N-KAI | data/1P/1P1N-KAI/1P1N-KAI_ligand.pdbqt | data/1P/1P1N-KAI/1P1N-KAI_target.pdbqt | data/1P/1P1N-KAI/1P1N-KAI_decoys.pdbqt | data/1P/1P1N-KAI/1P1N-KAI_decoy_scores.csv |
1PHH-DHB | data/1P/1PHH-DHB/1PHH-DHB_ligand.pdbqt | data/1P/1PHH-DHB/1PHH-DHB_target.pdbqt | data/1P/1PHH-DHB/1PHH-DHB_decoys.pdbqt | data/1P/1PHH-DHB/1PHH-DHB_decoy_scores.csv |
1PU7-39A | data/1P/1PU7-39A/1PU7-39A_ligand.pdbqt | data/1P/1PU7-39A/1PU7-39A_target.pdbqt | data/1P/1PU7-39A/1PU7-39A_decoys.pdbqt | data/1P/1PU7-39A/1PU7-39A_decoy_scores.csv |
1PE7-4BR | data/1P/1PE7-4BR/1PE7-4BR_ligand.pdbqt | data/1P/1PE7-4BR/1PE7-4BR_target.pdbqt | data/1P/1PE7-4BR/1PE7-4BR_decoys.pdbqt | data/1P/1PE7-4BR/1PE7-4BR_decoy_scores.csv |
1PG3-PRX | data/1P/1PG3-PRX/1PG3-PRX_ligand.pdbqt | data/1P/1PG3-PRX/1PG3-PRX_target.pdbqt | data/1P/1PG3-PRX/1PG3-PRX_decoys.pdbqt | data/1P/1PG3-PRX/1PG3-PRX_decoy_scores.csv |
1PQ8-LYS | data/1P/1PQ8-LYS/1PQ8-LYS_ligand.pdbqt | data/1P/1PQ8-LYS/1PQ8-LYS_target.pdbqt | data/1P/1PQ8-LYS/1PQ8-LYS_decoys.pdbqt | data/1P/1PQ8-LYS/1PQ8-LYS_decoy_scores.csv |
1P6H-H4B | data/1P/1P6H-H4B/1P6H-H4B_ligand.pdbqt | data/1P/1P6H-H4B/1P6H-H4B_target.pdbqt | data/1P/1P6H-H4B/1P6H-H4B_decoys.pdbqt | data/1P/1P6H-H4B/1P6H-H4B_decoy_scores.csv |
1P6B-EBP | data/1P/1P6B-EBP/1P6B-EBP_ligand.pdbqt | data/1P/1P6B-EBP/1P6B-EBP_target.pdbqt | data/1P/1P6B-EBP/1P6B-EBP_decoys.pdbqt | data/1P/1P6B-EBP/1P6B-EBP_decoy_scores.csv |
1PVY-5RP | data/1P/1PVY-5RP/1PVY-5RP_ligand.pdbqt | data/1P/1PVY-5RP/1PVY-5RP_target.pdbqt | data/1P/1PVY-5RP/1PVY-5RP_decoys.pdbqt | data/1P/1PVY-5RP/1PVY-5RP_decoy_scores.csv |
1PJC-NAD | data/1P/1PJC-NAD/1PJC-NAD_ligand.pdbqt | data/1P/1PJC-NAD/1PJC-NAD_target.pdbqt | data/1P/1PJC-NAD/1PJC-NAD_decoys.pdbqt | data/1P/1PJC-NAD/1PJC-NAD_decoy_scores.csv |
1P1R-NAI | data/1P/1P1R-NAI/1P1R-NAI_ligand.pdbqt | data/1P/1P1R-NAI/1P1R-NAI_target.pdbqt | data/1P/1P1R-NAI/1P1R-NAI_decoys.pdbqt | data/1P/1P1R-NAI/1P1R-NAI_decoy_scores.csv |
1P8I-RET | data/1P/1P8I-RET/1P8I-RET_ligand.pdbqt | data/1P/1P8I-RET/1P8I-RET_target.pdbqt | data/1P/1P8I-RET/1P8I-RET_decoys.pdbqt | data/1P/1P8I-RET/1P8I-RET_decoy_scores.csv |
1PL2-ABY | data/1P/1PL2-ABY/1PL2-ABY_ligand.pdbqt | data/1P/1PL2-ABY/1PL2-ABY_target.pdbqt | data/1P/1PL2-ABY/1PL2-ABY_decoys.pdbqt | data/1P/1PL2-ABY/1PL2-ABY_decoy_scores.csv |
1PSC-EBP | data/1P/1PSC-EBP/1PSC-EBP_ligand.pdbqt | data/1P/1PSC-EBP/1PSC-EBP_target.pdbqt | data/1P/1PSC-EBP/1PSC-EBP_decoys.pdbqt | data/1P/1PSC-EBP/1PSC-EBP_decoy_scores.csv |
1P4G-CGF | data/1P/1P4G-CGF/1P4G-CGF_ligand.pdbqt | data/1P/1P4G-CGF/1P4G-CGF_target.pdbqt | data/1P/1P4G-CGF/1P4G-CGF_decoys.pdbqt | data/1P/1P4G-CGF/1P4G-CGF_decoy_scores.csv |
1PQ5-ARG | data/1P/1PQ5-ARG/1PQ5-ARG_ligand.pdbqt | data/1P/1PQ5-ARG/1PQ5-ARG_target.pdbqt | data/1P/1PQ5-ARG/1PQ5-ARG_decoys.pdbqt | data/1P/1PQ5-ARG/1PQ5-ARG_decoy_scores.csv |
1PXN-CK6 | data/1P/1PXN-CK6/1PXN-CK6_ligand.pdbqt | data/1P/1PXN-CK6/1PXN-CK6_target.pdbqt | data/1P/1PXN-CK6/1PXN-CK6_decoys.pdbqt | data/1P/1PXN-CK6/1PXN-CK6_decoy_scores.csv |
1PBQ-DK1 | data/1P/1PBQ-DK1/1PBQ-DK1_ligand.pdbqt | data/1P/1PBQ-DK1/1PBQ-DK1_target.pdbqt | data/1P/1PBQ-DK1/1PBQ-DK1_decoys.pdbqt | data/1P/1PBQ-DK1/1PBQ-DK1_decoy_scores.csv |
1PL1-ABY | data/1P/1PL1-ABY/1PL1-ABY_ligand.pdbqt | data/1P/1PL1-ABY/1PL1-ABY_target.pdbqt | data/1P/1PL1-ABY/1PL1-ABY_decoys.pdbqt | data/1P/1PL1-ABY/1PL1-ABY_decoy_scores.csv |
1P77-ATR | data/1P/1P77-ATR/1P77-ATR_ligand.pdbqt | data/1P/1P77-ATR/1P77-ATR_target.pdbqt | data/1P/1P77-ATR/1P77-ATR_decoys.pdbqt | data/1P/1P77-ATR/1P77-ATR_decoy_scores.csv |
1PI3-TZD | data/1P/1PI3-TZD/1PI3-TZD_ligand.pdbqt | data/1P/1PI3-TZD/1PI3-TZD_target.pdbqt | data/1P/1PI3-TZD/1PI3-TZD_decoys.pdbqt | data/1P/1PI3-TZD/1PI3-TZD_decoy_scores.csv |
1P6L-H4B | data/1P/1P6L-H4B/1P6L-H4B_ligand.pdbqt | data/1P/1P6L-H4B/1P6L-H4B_target.pdbqt | data/1P/1P6L-H4B/1P6L-H4B_decoys.pdbqt | data/1P/1P6L-H4B/1P6L-H4B_decoy_scores.csv |
1P8H-LI1 | data/1P/1P8H-LI1/1P8H-LI1_ligand.pdbqt | data/1P/1P8H-LI1/1P8H-LI1_target.pdbqt | data/1P/1P8H-LI1/1P8H-LI1_decoys.pdbqt | data/1P/1P8H-LI1/1P8H-LI1_decoy_scores.csv |
1PX0-RPN | data/1P/1PX0-RPN/1PX0-RPN_ligand.pdbqt | data/1P/1PX0-RPN/1PX0-RPN_target.pdbqt | data/1P/1PX0-RPN/1PX0-RPN_decoys.pdbqt | data/1P/1PX0-RPN/1PX0-RPN_decoy_scores.csv |
1P7J-NHE | data/1P/1P7J-NHE/1P7J-NHE_ligand.pdbqt | data/1P/1P7J-NHE/1P7J-NHE_target.pdbqt | data/1P/1P7J-NHE/1P7J-NHE_decoys.pdbqt | data/1P/1P7J-NHE/1P7J-NHE_decoy_scores.csv |
1P5Z-ADP | data/1P/1P5Z-ADP/1P5Z-ADP_ligand.pdbqt | data/1P/1P5Z-ADP/1P5Z-ADP_target.pdbqt | data/1P/1P5Z-ADP/1P5Z-ADP_decoys.pdbqt | data/1P/1P5Z-ADP/1P5Z-ADP_decoy_scores.csv |
1P8U-RET | data/1P/1P8U-RET/1P8U-RET_ligand.pdbqt | data/1P/1P8U-RET/1P8U-RET_target.pdbqt | data/1P/1P8U-RET/1P8U-RET_decoys.pdbqt | data/1P/1P8U-RET/1P8U-RET_decoy_scores.csv |
1P8I-LI1 | data/1P/1P8I-LI1/1P8I-LI1_ligand.pdbqt | data/1P/1P8I-LI1/1P8I-LI1_target.pdbqt | data/1P/1P8I-LI1/1P8I-LI1_decoys.pdbqt | data/1P/1P8I-LI1/1P8I-LI1_decoy_scores.csv |
1PE1-2PG | data/1P/1PE1-2PG/1PE1-2PG_ligand.pdbqt | data/1P/1PE1-2PG/1PE1-2PG_target.pdbqt | data/1P/1PE1-2PG/1PE1-2PG_decoys.pdbqt | data/1P/1PE1-2PG/1PE1-2PG_decoy_scores.csv |
1P4C-FMN | data/1P/1P4C-FMN/1P4C-FMN_ligand.pdbqt | data/1P/1P4C-FMN/1P4C-FMN_target.pdbqt | data/1P/1P4C-FMN/1P4C-FMN_decoys.pdbqt | data/1P/1P4C-FMN/1P4C-FMN_decoy_scores.csv |
1PGT-GTX | data/1P/1PGT-GTX/1PGT-GTX_ligand.pdbqt | data/1P/1PGT-GTX/1PGT-GTX_target.pdbqt | data/1P/1PGT-GTX/1PGT-GTX_decoys.pdbqt | data/1P/1PGT-GTX/1PGT-GTX_decoy_scores.csv |
1PG0-MOD | data/1P/1PG0-MOD/1PG0-MOD_ligand.pdbqt | data/1P/1PG0-MOD/1PG0-MOD_target.pdbqt | data/1P/1PG0-MOD/1PG0-MOD_decoys.pdbqt | data/1P/1PG0-MOD/1PG0-MOD_decoy_scores.csv |
1P8U-LI1 | data/1P/1P8U-LI1/1P8U-LI1_ligand.pdbqt | data/1P/1P8U-LI1/1P8U-LI1_target.pdbqt | data/1P/1P8U-LI1/1P8U-LI1_decoys.pdbqt | data/1P/1P8U-LI1/1P8U-LI1_decoy_scores.csv |
1P60-DCZ | data/1P/1P60-DCZ/1P60-DCZ_ligand.pdbqt | data/1P/1P60-DCZ/1P60-DCZ_target.pdbqt | data/1P/1P60-DCZ/1P60-DCZ_decoys.pdbqt | data/1P/1P60-DCZ/1P60-DCZ_decoy_scores.csv |
1P1I-NAD | data/1P/1P1I-NAD/1P1I-NAD_ligand.pdbqt | data/1P/1P1I-NAD/1P1I-NAD_target.pdbqt | data/1P/1P1I-NAD/1P1I-NAD_decoys.pdbqt | data/1P/1P1I-NAD/1P1I-NAD_decoy_scores.csv |
1P4F-86Q | data/1P/1P4F-86Q/1P4F-86Q_ligand.pdbqt | data/1P/1P4F-86Q/1P4F-86Q_target.pdbqt | data/1P/1P4F-86Q/1P4F-86Q_decoys.pdbqt | data/1P/1P4F-86Q/1P4F-86Q_decoy_scores.csv |
1P61-DCZ | data/1P/1P61-DCZ/1P61-DCZ_ligand.pdbqt | data/1P/1P61-DCZ/1P61-DCZ_target.pdbqt | data/1P/1P61-DCZ/1P61-DCZ_decoys.pdbqt | data/1P/1P61-DCZ/1P61-DCZ_decoy_scores.csv |
1PXO-CK7 | data/1P/1PXO-CK7/1PXO-CK7_ligand.pdbqt | data/1P/1PXO-CK7/1PXO-CK7_target.pdbqt | data/1P/1PXO-CK7/1PXO-CK7_decoys.pdbqt | data/1P/1PXO-CK7/1PXO-CK7_decoy_scores.csv |
1PRC-MQ7 | data/1P/1PRC-MQ7/1PRC-MQ7_ligand.pdbqt | data/1P/1PRC-MQ7/1PRC-MQ7_target.pdbqt | data/1P/1PRC-MQ7/1PRC-MQ7_decoys.pdbqt | data/1P/1PRC-MQ7/1PRC-MQ7_decoy_scores.csv |
1PXC-PHB | data/1P/1PXC-PHB/1PXC-PHB_ligand.pdbqt | data/1P/1PXC-PHB/1PXC-PHB_target.pdbqt | data/1P/1PXC-PHB/1PXC-PHB_decoys.pdbqt | data/1P/1PXC-PHB/1PXC-PHB_decoy_scores.csv |
1PDH-PHB | data/1P/1PDH-PHB/1PDH-PHB_ligand.pdbqt | data/1P/1PDH-PHB/1PDH-PHB_target.pdbqt | data/1P/1PDH-PHB/1PDH-PHB_decoys.pdbqt | data/1P/1PDH-PHB/1PDH-PHB_decoy_scores.csv |
1PPM-0P1 | data/1P/1PPM-0P1/1PPM-0P1_ligand.pdbqt | data/1P/1PPM-0P1/1PPM-0P1_target.pdbqt | data/1P/1PPM-0P1/1PPM-0P1_decoys.pdbqt | data/1P/1PPM-0P1/1PPM-0P1_decoy_scores.csv |
1PHP-ADP | data/1P/1PHP-ADP/1PHP-ADP_ligand.pdbqt | data/1P/1PHP-ADP/1PHP-ADP_target.pdbqt | data/1P/1PHP-ADP/1PHP-ADP_decoys.pdbqt | data/1P/1PHP-ADP/1PHP-ADP_decoy_scores.csv |
1P7C-THM | data/1P/1P7C-THM/1P7C-THM_ligand.pdbqt | data/1P/1P7C-THM/1P7C-THM_target.pdbqt | data/1P/1P7C-THM/1P7C-THM_decoys.pdbqt | data/1P/1P7C-THM/1P7C-THM_decoy_scores.csv |
1PA9-CSN | data/1P/1PA9-CSN/1PA9-CSN_ligand.pdbqt | data/1P/1PA9-CSN/1PA9-CSN_target.pdbqt | data/1P/1PA9-CSN/1PA9-CSN_decoys.pdbqt | data/1P/1PA9-CSN/1PA9-CSN_decoy_scores.csv |
1PRC-UQ1 | data/1P/1PRC-UQ1/1PRC-UQ1_ligand.pdbqt | data/1P/1PRC-UQ1/1PRC-UQ1_target.pdbqt | data/1P/1PRC-UQ1/1PRC-UQ1_decoys.pdbqt | data/1P/1PRC-UQ1/1PRC-UQ1_decoy_scores.csv |
1PYX-ANP | data/1P/1PYX-ANP/1PYX-ANP_ligand.pdbqt | data/1P/1PYX-ANP/1PYX-ANP_target.pdbqt | data/1P/1PYX-ANP/1PYX-ANP_decoys.pdbqt | data/1P/1PYX-ANP/1PYX-ANP_decoy_scores.csv |
1PQ6-965 | data/1P/1PQ6-965/1PQ6-965_ligand.pdbqt | data/1P/1PQ6-965/1PQ6-965_target.pdbqt | data/1P/1PQ6-965/1PQ6-965_decoys.pdbqt | data/1P/1PQ6-965/1PQ6-965_decoy_scores.csv |
1P6J-DP9 | data/1P/1P6J-DP9/1P6J-DP9_ligand.pdbqt | data/1P/1P6J-DP9/1P6J-DP9_target.pdbqt | data/1P/1P6J-DP9/1P6J-DP9_decoys.pdbqt | data/1P/1P6J-DP9/1P6J-DP9_decoy_scores.csv |
1PJ2-NAI | data/1P/1PJ2-NAI/1PJ2-NAI_ligand.pdbqt | data/1P/1PJ2-NAI/1PJ2-NAI_target.pdbqt | data/1P/1PJ2-NAI/1PJ2-NAI_decoys.pdbqt | data/1P/1PJ2-NAI/1PJ2-NAI_decoy_scores.csv |
1PHD-PIW | data/1P/1PHD-PIW/1PHD-PIW_ligand.pdbqt | data/1P/1PHD-PIW/1PHD-PIW_target.pdbqt | data/1P/1PHD-PIW/1PHD-PIW_decoys.pdbqt | data/1P/1PHD-PIW/1PHD-PIW_decoy_scores.csv |
1PUJ-GNP | data/1P/1PUJ-GNP/1PUJ-GNP_ligand.pdbqt | data/1P/1PUJ-GNP/1PUJ-GNP_target.pdbqt | data/1P/1PUJ-GNP/1PUJ-GNP_decoys.pdbqt | data/1P/1PUJ-GNP/1PUJ-GNP_decoy_scores.csv |
1PL6-NAD | data/1P/1PL6-NAD/1PL6-NAD_ligand.pdbqt | data/1P/1PL6-NAD/1PL6-NAD_target.pdbqt | data/1P/1PL6-NAD/1PL6-NAD_decoys.pdbqt | data/1P/1PL6-NAD/1PL6-NAD_decoy_scores.csv |
1PHN-CYC | data/1P/1PHN-CYC/1PHN-CYC_ligand.pdbqt | data/1P/1PHN-CYC/1PHN-CYC_target.pdbqt | data/1P/1PHN-CYC/1PHN-CYC_decoys.pdbqt | data/1P/1PHN-CYC/1PHN-CYC_decoy_scores.csv |
1PIE-GLA | data/1P/1PIE-GLA/1PIE-GLA_ligand.pdbqt | data/1P/1PIE-GLA/1PIE-GLA_target.pdbqt | data/1P/1PIE-GLA/1PIE-GLA_decoys.pdbqt | data/1P/1PIE-GLA/1PIE-GLA_decoy_scores.csv |
1PG4-PRX | data/1P/1PG4-PRX/1PG4-PRX_ligand.pdbqt | data/1P/1PG4-PRX/1PG4-PRX_target.pdbqt | data/1P/1PG4-PRX/1PG4-PRX_decoys.pdbqt | data/1P/1PG4-PRX/1PG4-PRX_decoy_scores.csv |
1P9B-GDP | data/1P/1P9B-GDP/1P9B-GDP_ligand.pdbqt | data/1P/1P9B-GDP/1P9B-GDP_target.pdbqt | data/1P/1P9B-GDP/1P9B-GDP_decoys.pdbqt | data/1P/1P9B-GDP/1P9B-GDP_decoy_scores.csv |
1P19-IMP | data/1P/1P19-IMP/1P19-IMP_ligand.pdbqt | data/1P/1P19-IMP/1P19-IMP_target.pdbqt | data/1P/1P19-IMP/1P19-IMP_decoys.pdbqt | data/1P/1P19-IMP/1P19-IMP_decoy_scores.csv |
1PK7-ADN | data/1P/1PK7-ADN/1PK7-ADN_ligand.pdbqt | data/1P/1PK7-ADN/1PK7-ADN_target.pdbqt | data/1P/1PK7-ADN/1PK7-ADN_decoys.pdbqt | data/1P/1PK7-ADN/1PK7-ADN_decoy_scores.csv |
1PP9-SMA | data/1P/1PP9-SMA/1PP9-SMA_ligand.pdbqt | data/1P/1PP9-SMA/1PP9-SMA_target.pdbqt | data/1P/1PP9-SMA/1PP9-SMA_decoys.pdbqt | data/1P/1PP9-SMA/1PP9-SMA_decoy_scores.csv |
1PS3-KIF | data/1P/1PS3-KIF/1PS3-KIF_ligand.pdbqt | data/1P/1PS3-KIF/1PS3-KIF_target.pdbqt | data/1P/1PS3-KIF/1PS3-KIF_decoys.pdbqt | data/1P/1PS3-KIF/1PS3-KIF_decoy_scores.csv |
1P2V-GNP | data/1P/1P2V-GNP/1P2V-GNP_ligand.pdbqt | data/1P/1P2V-GNP/1P2V-GNP_target.pdbqt | data/1P/1P2V-GNP/1P2V-GNP_decoys.pdbqt | data/1P/1P2V-GNP/1P2V-GNP_decoy_scores.csv |
1PAX-DHQ | data/1P/1PAX-DHQ/1PAX-DHQ_ligand.pdbqt | data/1P/1PAX-DHQ/1PAX-DHQ_target.pdbqt | data/1P/1PAX-DHQ/1PAX-DHQ_decoys.pdbqt | data/1P/1PAX-DHQ/1PAX-DHQ_decoy_scores.csv |
1P8H-RET | data/1P/1P8H-RET/1P8H-RET_ligand.pdbqt | data/1P/1P8H-RET/1P8H-RET_target.pdbqt | data/1P/1P8H-RET/1P8H-RET_decoys.pdbqt | data/1P/1P8H-RET/1P8H-RET_decoy_scores.csv |
1P6N-DP9 | data/1P/1P6N-DP9/1P6N-DP9_ligand.pdbqt | data/1P/1P6N-DP9/1P6N-DP9_target.pdbqt | data/1P/1P6N-DP9/1P6N-DP9_decoys.pdbqt | data/1P/1P6N-DP9/1P6N-DP9_decoy_scores.csv |
1P6M-H4B | data/1P/1P6M-H4B/1P6M-H4B_ligand.pdbqt | data/1P/1P6M-H4B/1P6M-H4B_target.pdbqt | data/1P/1P6M-H4B/1P6M-H4B_decoys.pdbqt | data/1P/1P6M-H4B/1P6M-H4B_decoy_scores.csv |
1PJ6-FOL | data/1P/1PJ6-FOL/1PJ6-FOL_ligand.pdbqt | data/1P/1PJ6-FOL/1PJ6-FOL_target.pdbqt | data/1P/1PJ6-FOL/1PJ6-FOL_decoys.pdbqt | data/1P/1PJ6-FOL/1PJ6-FOL_decoy_scores.csv |
1PE5-BR3 | data/1P/1PE5-BR3/1PE5-BR3_ligand.pdbqt | data/1P/1PE5-BR3/1PE5-BR3_target.pdbqt | data/1P/1PE5-BR3/1PE5-BR3_decoys.pdbqt | data/1P/1PE5-BR3/1PE5-BR3_decoy_scores.csv |
1PPH-0ZG | data/1P/1PPH-0ZG/1PPH-0ZG_ligand.pdbqt | data/1P/1PPH-0ZG/1PPH-0ZG_target.pdbqt | data/1P/1PPH-0ZG/1PPH-0ZG_decoys.pdbqt | data/1P/1PPH-0ZG/1PPH-0ZG_decoy_scores.csv |
1P61-ADP | data/1P/1P61-ADP/1P61-ADP_ligand.pdbqt | data/1P/1P61-ADP/1P61-ADP_target.pdbqt | data/1P/1P61-ADP/1P61-ADP_decoys.pdbqt | data/1P/1P61-ADP/1P61-ADP_decoy_scores.csv |
1PW1-HEL | data/1P/1PW1-HEL/1PW1-HEL_ligand.pdbqt | data/1P/1PW1-HEL/1PW1-HEL_target.pdbqt | data/1P/1PW1-HEL/1PW1-HEL_decoys.pdbqt | data/1P/1PW1-HEL/1PW1-HEL_decoy_scores.csv |
1PR4-MTP | data/1P/1PR4-MTP/1PR4-MTP_ligand.pdbqt | data/1P/1PR4-MTP/1PR4-MTP_target.pdbqt | data/1P/1PR4-MTP/1PR4-MTP_decoys.pdbqt | data/1P/1PR4-MTP/1PR4-MTP_decoy_scores.csv |
1P1O-QUS | data/1P/1P1O-QUS/1P1O-QUS_ligand.pdbqt | data/1P/1P1O-QUS/1P1O-QUS_target.pdbqt | data/1P/1P1O-QUS/1P1O-QUS_decoys.pdbqt | data/1P/1P1O-QUS/1P1O-QUS_decoy_scores.csv |
1PW8-H2A | data/1P/1PW8-H2A/1PW8-H2A_ligand.pdbqt | data/1P/1PW8-H2A/1PW8-H2A_target.pdbqt | data/1P/1PW8-H2A/1PW8-H2A_decoys.pdbqt | data/1P/1PW8-H2A/1PW8-H2A_decoy_scores.csv |
1PY5-PY1 | data/1P/1PY5-PY1/1PY5-PY1_ligand.pdbqt | data/1P/1PY5-PY1/1PY5-PY1_target.pdbqt | data/1P/1PY5-PY1/1PY5-PY1_decoys.pdbqt | data/1P/1PY5-PY1/1PY5-PY1_decoy_scores.csv |
1PZG-A3D | data/1P/1PZG-A3D/1PZG-A3D_ligand.pdbqt | data/1P/1PZG-A3D/1PZG-A3D_target.pdbqt | data/1P/1PZG-A3D/1PZG-A3D_decoys.pdbqt | data/1P/1PZG-A3D/1PZG-A3D_decoy_scores.csv |
1P2Y-NCT | data/1P/1P2Y-NCT/1P2Y-NCT_ligand.pdbqt | data/1P/1P2Y-NCT/1P2Y-NCT_target.pdbqt | data/1P/1P2Y-NCT/1P2Y-NCT_decoys.pdbqt | data/1P/1P2Y-NCT/1P2Y-NCT_decoy_scores.csv |
1P48-PEP | data/1P/1P48-PEP/1P48-PEP_ligand.pdbqt | data/1P/1P48-PEP/1P48-PEP_target.pdbqt | data/1P/1P48-PEP/1P48-PEP_decoys.pdbqt | data/1P/1P48-PEP/1P48-PEP_decoy_scores.csv |
1PBE-PHB | data/1P/1PBE-PHB/1PBE-PHB_ligand.pdbqt | data/1P/1PBE-PHB/1PBE-PHB_target.pdbqt | data/1P/1PBE-PHB/1PBE-PHB_decoys.pdbqt | data/1P/1PBE-PHB/1PBE-PHB_decoy_scores.csv |
1PVG-ANP | data/1P/1PVG-ANP/1PVG-ANP_ligand.pdbqt | data/1P/1PVG-ANP/1PVG-ANP_target.pdbqt | data/1P/1PVG-ANP/1PVG-ANP_decoys.pdbqt | data/1P/1PVG-ANP/1PVG-ANP_decoy_scores.csv |
1PHN-PEB | data/1P/1PHN-PEB/1PHN-PEB_ligand.pdbqt | data/1P/1PHN-PEB/1PHN-PEB_target.pdbqt | data/1P/1PHN-PEB/1PHN-PEB_decoys.pdbqt | data/1P/1PHN-PEB/1PHN-PEB_decoy_scores.csv |
1PL6-572 | data/1P/1PL6-572/1PL6-572_ligand.pdbqt | data/1P/1PL6-572/1PL6-572_target.pdbqt | data/1P/1PL6-572/1PL6-572_decoys.pdbqt | data/1P/1PL6-572/1PL6-572_decoy_scores.csv |
1PTV-PTR | data/1P/1PTV-PTR/1PTV-PTR_ligand.pdbqt | data/1P/1PTV-PTR/1PTV-PTR_target.pdbqt | data/1P/1PTV-PTR/1PTV-PTR_decoys.pdbqt | data/1P/1PTV-PTR/1PTV-PTR_decoy_scores.csv |
1PFY-MSP | data/1P/1PFY-MSP/1PFY-MSP_ligand.pdbqt | data/1P/1PFY-MSP/1PFY-MSP_target.pdbqt | data/1P/1PFY-MSP/1PFY-MSP_decoys.pdbqt | data/1P/1PFY-MSP/1PFY-MSP_decoy_scores.csv |
1P6K-MTL | data/1P/1P6K-MTL/1P6K-MTL_ligand.pdbqt | data/1P/1P6K-MTL/1P6K-MTL_target.pdbqt | data/1P/1P6K-MTL/1P6K-MTL_decoys.pdbqt | data/1P/1P6K-MTL/1P6K-MTL_decoy_scores.csv |
1P57-CR4 | data/1P/1P57-CR4/1P57-CR4_ligand.pdbqt | data/1P/1P57-CR4/1P57-CR4_target.pdbqt | data/1P/1P57-CR4/1P57-CR4_decoys.pdbqt | data/1P/1P57-CR4/1P57-CR4_decoy_scores.csv |
1P1H-NAD | data/1P/1P1H-NAD/1P1H-NAD_ligand.pdbqt | data/1P/1P1H-NAD/1P1H-NAD_target.pdbqt | data/1P/1P1H-NAD/1P1H-NAD_decoys.pdbqt | data/1P/1P1H-NAD/1P1H-NAD_decoy_scores.csv |
1P6M-DP3 | data/1P/1P6M-DP3/1P6M-DP3_ligand.pdbqt | data/1P/1P6M-DP3/1P6M-DP3_target.pdbqt | data/1P/1P6M-DP3/1P6M-DP3_decoys.pdbqt | data/1P/1P6M-DP3/1P6M-DP3_decoy_scores.csv |
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