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 ⌀ |
|---|---|---|---|---|
2PY7-ATP | data/2P/2PY7-ATP/2PY7-ATP_ligand.pdbqt | data/2P/2PY7-ATP/2PY7-ATP_target.pdbqt | data/2P/2PY7-ATP/2PY7-ATP_decoys.pdbqt | data/2P/2PY7-ATP/2PY7-ATP_decoy_scores.csv |
2PB6-SAH | data/2P/2PB6-SAH/2PB6-SAH_ligand.pdbqt | data/2P/2PB6-SAH/2PB6-SAH_target.pdbqt | data/2P/2PB6-SAH/2PB6-SAH_decoys.pdbqt | data/2P/2PB6-SAH/2PB6-SAH_decoy_scores.csv |
2PWV-PQ0 | data/2P/2PWV-PQ0/2PWV-PQ0_ligand.pdbqt | data/2P/2PWV-PQ0/2PWV-PQ0_target.pdbqt | data/2P/2PWV-PQ0/2PWV-PQ0_decoys.pdbqt | data/2P/2PWV-PQ0/2PWV-PQ0_decoy_scores.csv |
2PYP-HC4 | data/2P/2PYP-HC4/2PYP-HC4_ligand.pdbqt | data/2P/2PYP-HC4/2PYP-HC4_target.pdbqt | data/2P/2PYP-HC4/2PYP-HC4_decoys.pdbqt | data/2P/2PYP-HC4/2PYP-HC4_decoy_scores.csv |
2P9T-3PG | data/2P/2P9T-3PG/2P9T-3PG_ligand.pdbqt | data/2P/2P9T-3PG/2P9T-3PG_target.pdbqt | data/2P/2P9T-3PG/2P9T-3PG_decoys.pdbqt | data/2P/2P9T-3PG/2P9T-3PG_decoy_scores.csv |
2P99-YE6 | data/2P/2P99-YE6/2P99-YE6_ligand.pdbqt | data/2P/2P99-YE6/2P99-YE6_target.pdbqt | data/2P/2P99-YE6/2P99-YE6_decoys.pdbqt | data/2P/2P99-YE6/2P99-YE6_decoy_scores.csv |
2P5C-SAH | data/2P/2P5C-SAH/2P5C-SAH_ligand.pdbqt | data/2P/2P5C-SAH/2P5C-SAH_target.pdbqt | data/2P/2P5C-SAH/2P5C-SAH_decoys.pdbqt | data/2P/2P5C-SAH/2P5C-SAH_decoy_scores.csv |
2P53-NNG | data/2P/2P53-NNG/2P53-NNG_ligand.pdbqt | data/2P/2P53-NNG/2P53-NNG_target.pdbqt | data/2P/2P53-NNG/2P53-NNG_decoys.pdbqt | data/2P/2P53-NNG/2P53-NNG_decoy_scores.csv |
2PU1-FSG | data/2P/2PU1-FSG/2PU1-FSG_ligand.pdbqt | data/2P/2PU1-FSG/2PU1-FSG_target.pdbqt | data/2P/2PU1-FSG/2PU1-FSG_decoys.pdbqt | data/2P/2PU1-FSG/2PU1-FSG_decoy_scores.csv |
2PCG-SAH | data/2P/2PCG-SAH/2PCG-SAH_ligand.pdbqt | data/2P/2PCG-SAH/2PCG-SAH_target.pdbqt | data/2P/2PCG-SAH/2PCG-SAH_decoys.pdbqt | data/2P/2PCG-SAH/2PCG-SAH_decoy_scores.csv |
2PDX-ZST | data/2P/2PDX-ZST/2PDX-ZST_ligand.pdbqt | data/2P/2PDX-ZST/2PDX-ZST_target.pdbqt | data/2P/2PDX-ZST/2PDX-ZST_decoys.pdbqt | data/2P/2PDX-ZST/2PDX-ZST_decoy_scores.csv |
2PAM-TYD | data/2P/2PAM-TYD/2PAM-TYD_ligand.pdbqt | data/2P/2PAM-TYD/2PAM-TYD_target.pdbqt | data/2P/2PAM-TYD/2PAM-TYD_decoys.pdbqt | data/2P/2PAM-TYD/2PAM-TYD_decoy_scores.csv |
2PVL-P55 | data/2P/2PVL-P55/2PVL-P55_ligand.pdbqt | data/2P/2PVL-P55/2PVL-P55_target.pdbqt | data/2P/2PVL-P55/2PVL-P55_decoys.pdbqt | data/2P/2PVL-P55/2PVL-P55_decoy_scores.csv |
2PER-MNB | data/2P/2PER-MNB/2PER-MNB_ligand.pdbqt | data/2P/2PER-MNB/2PER-MNB_target.pdbqt | data/2P/2PER-MNB/2PER-MNB_decoys.pdbqt | data/2P/2PER-MNB/2PER-MNB_decoy_scores.csv |
2PUZ-NIG | data/2P/2PUZ-NIG/2PUZ-NIG_ligand.pdbqt | data/2P/2PUZ-NIG/2PUZ-NIG_target.pdbqt | data/2P/2PUZ-NIG/2PUZ-NIG_decoys.pdbqt | data/2P/2PUZ-NIG/2PUZ-NIG_decoy_scores.csv |
2PIY-528 | data/2P/2PIY-528/2PIY-528_ligand.pdbqt | data/2P/2PIY-528/2PIY-528_target.pdbqt | data/2P/2PIY-528/2PIY-528_decoys.pdbqt | data/2P/2PIY-528/2PIY-528_decoy_scores.csv |
2PVJ-P44 | data/2P/2PVJ-P44/2PVJ-P44_ligand.pdbqt | data/2P/2PVJ-P44/2PVJ-P44_target.pdbqt | data/2P/2PVJ-P44/2PVJ-P44_decoys.pdbqt | data/2P/2PVJ-P44/2PVJ-P44_decoy_scores.csv |
2PH8-35A | data/2P/2PH8-35A/2PH8-35A_ligand.pdbqt | data/2P/2PH8-35A/2PH8-35A_target.pdbqt | data/2P/2PH8-35A/2PH8-35A_decoys.pdbqt | data/2P/2PH8-35A/2PH8-35A_decoy_scores.csv |
2PZP-ACP | data/2P/2PZP-ACP/2PZP-ACP_ligand.pdbqt | data/2P/2PZP-ACP/2PZP-ACP_target.pdbqt | data/2P/2PZP-ACP/2PZP-ACP_decoys.pdbqt | data/2P/2PZP-ACP/2PZP-ACP_decoy_scores.csv |
2PFH-LDT | data/2P/2PFH-LDT/2PFH-LDT_ligand.pdbqt | data/2P/2PFH-LDT/2PFH-LDT_target.pdbqt | data/2P/2PFH-LDT/2PFH-LDT_decoys.pdbqt | data/2P/2PFH-LDT/2PFH-LDT_decoy_scores.csv |
2P16-GG2 | data/2P/2P16-GG2/2P16-GG2_ligand.pdbqt | data/2P/2P16-GG2/2P16-GG2_target.pdbqt | data/2P/2P16-GG2/2P16-GG2_decoys.pdbqt | data/2P/2P16-GG2/2P16-GG2_decoy_scores.csv |
2PXZ-ATP | data/2P/2PXZ-ATP/2PXZ-ATP_ligand.pdbqt | data/2P/2PXZ-ATP/2PXZ-ATP_target.pdbqt | data/2P/2PXZ-ATP/2PXZ-ATP_decoys.pdbqt | data/2P/2PXZ-ATP/2PXZ-ATP_decoy_scores.csv |
2P41-SAH | data/2P/2P41-SAH/2P41-SAH_ligand.pdbqt | data/2P/2P41-SAH/2P41-SAH_target.pdbqt | data/2P/2P41-SAH/2P41-SAH_decoys.pdbqt | data/2P/2P41-SAH/2P41-SAH_decoy_scores.csv |
2PH6-712 | data/2P/2PH6-712/2PH6-712_ligand.pdbqt | data/2P/2PH6-712/2PH6-712_target.pdbqt | data/2P/2PH6-712/2PH6-712_decoys.pdbqt | data/2P/2PH6-712/2PH6-712_decoy_scores.csv |
2POR-C8E | data/2P/2POR-C8E/2POR-C8E_ligand.pdbqt | data/2P/2POR-C8E/2POR-C8E_target.pdbqt | data/2P/2POR-C8E/2POR-C8E_decoys.pdbqt | data/2P/2POR-C8E/2POR-C8E_decoy_scores.csv |
2PL7-HTG | data/2P/2PL7-HTG/2PL7-HTG_ligand.pdbqt | data/2P/2PL7-HTG/2PL7-HTG_target.pdbqt | data/2P/2PL7-HTG/2PL7-HTG_decoys.pdbqt | data/2P/2PL7-HTG/2PL7-HTG_decoy_scores.csv |
2PBF-SAH | data/2P/2PBF-SAH/2PBF-SAH_ligand.pdbqt | data/2P/2PBF-SAH/2PBF-SAH_target.pdbqt | data/2P/2PBF-SAH/2PBF-SAH_decoys.pdbqt | data/2P/2PBF-SAH/2PBF-SAH_decoy_scores.csv |
2POC-BG6 | data/2P/2POC-BG6/2POC-BG6_ligand.pdbqt | data/2P/2POC-BG6/2POC-BG6_target.pdbqt | data/2P/2POC-BG6/2POC-BG6_decoys.pdbqt | data/2P/2POC-BG6/2POC-BG6_decoy_scores.csv |
2P1O-IHP | data/2P/2P1O-IHP/2P1O-IHP_ligand.pdbqt | data/2P/2P1O-IHP/2P1O-IHP_target.pdbqt | data/2P/2P1O-IHP/2P1O-IHP_decoys.pdbqt | data/2P/2P1O-IHP/2P1O-IHP_decoy_scores.csv |
2PV7-TYR | data/2P/2PV7-TYR/2PV7-TYR_ligand.pdbqt | data/2P/2PV7-TYR/2PV7-TYR_target.pdbqt | data/2P/2PV7-TYR/2PV7-TYR_decoys.pdbqt | data/2P/2PV7-TYR/2PV7-TYR_decoy_scores.csv |
2PHB-230 | data/2P/2PHB-230/2PHB-230_ligand.pdbqt | data/2P/2PHB-230/2PHB-230_target.pdbqt | data/2P/2PHB-230/2PHB-230_decoys.pdbqt | data/2P/2PHB-230/2PHB-230_decoy_scores.csv |
2PTQ-AMP | data/2P/2PTQ-AMP/2PTQ-AMP_ligand.pdbqt | data/2P/2PTQ-AMP/2PTQ-AMP_target.pdbqt | data/2P/2PTQ-AMP/2PTQ-AMP_decoys.pdbqt | data/2P/2PTQ-AMP/2PTQ-AMP_decoy_scores.csv |
2PBW-DOQ | data/2P/2PBW-DOQ/2PBW-DOQ_ligand.pdbqt | data/2P/2PBW-DOQ/2PBW-DOQ_target.pdbqt | data/2P/2PBW-DOQ/2PBW-DOQ_decoys.pdbqt | data/2P/2PBW-DOQ/2PBW-DOQ_decoy_scores.csv |
2PX8-3PO | data/2P/2PX8-3PO/2PX8-3PO_ligand.pdbqt | data/2P/2PX8-3PO/2PX8-3PO_target.pdbqt | data/2P/2PX8-3PO/2PX8-3PO_decoys.pdbqt | data/2P/2PX8-3PO/2PX8-3PO_decoy_scores.csv |
2PVR-ANP | data/2P/2PVR-ANP/2PVR-ANP_ligand.pdbqt | data/2P/2PVR-ANP/2PVR-ANP_target.pdbqt | data/2P/2PVR-ANP/2PVR-ANP_decoys.pdbqt | data/2P/2PVR-ANP/2PVR-ANP_decoy_scores.csv |
2PD5-ZST | data/2P/2PD5-ZST/2PD5-ZST_ligand.pdbqt | data/2P/2PD5-ZST/2PD5-ZST_target.pdbqt | data/2P/2PD5-ZST/2PD5-ZST_decoys.pdbqt | data/2P/2PD5-ZST/2PD5-ZST_decoy_scores.csv |
2P1N-IHP | data/2P/2P1N-IHP/2P1N-IHP_ligand.pdbqt | data/2P/2P1N-IHP/2P1N-IHP_target.pdbqt | data/2P/2P1N-IHP/2P1N-IHP_decoys.pdbqt | data/2P/2P1N-IHP/2P1N-IHP_decoy_scores.csv |
2PIT-DHT | data/2P/2PIT-DHT/2PIT-DHT_ligand.pdbqt | data/2P/2PIT-DHT/2PIT-DHT_target.pdbqt | data/2P/2PIT-DHT/2PIT-DHT_decoys.pdbqt | data/2P/2PIT-DHT/2PIT-DHT_decoy_scores.csv |
2PX2-SAH | data/2P/2PX2-SAH/2PX2-SAH_ligand.pdbqt | data/2P/2PX2-SAH/2PX2-SAH_target.pdbqt | data/2P/2PX2-SAH/2PX2-SAH_decoys.pdbqt | data/2P/2PX2-SAH/2PX2-SAH_decoy_scores.csv |
2PS1-PRP | data/2P/2PS1-PRP/2PS1-PRP_ligand.pdbqt | data/2P/2PS1-PRP/2PS1-PRP_target.pdbqt | data/2P/2PS1-PRP/2PS1-PRP_decoys.pdbqt | data/2P/2PS1-PRP/2PS1-PRP_decoy_scores.csv |
2PKM-ADN | data/2P/2PKM-ADN/2PKM-ADN_ligand.pdbqt | data/2P/2PKM-ADN/2PKM-ADN_target.pdbqt | data/2P/2PKM-ADN/2PKM-ADN_decoys.pdbqt | data/2P/2PKM-ADN/2PKM-ADN_decoy_scores.csv |
2PIN-4HY | data/2P/2PIN-4HY/2PIN-4HY_ligand.pdbqt | data/2P/2PIN-4HY/2PIN-4HY_target.pdbqt | data/2P/2PIN-4HY/2PIN-4HY_decoys.pdbqt | data/2P/2PIN-4HY/2PIN-4HY_decoy_scores.csv |
2PWR-G4G | data/2P/2PWR-G4G/2PWR-G4G_ligand.pdbqt | data/2P/2PWR-G4G/2PWR-G4G_target.pdbqt | data/2P/2PWR-G4G/2PWR-G4G_decoys.pdbqt | data/2P/2PWR-G4G/2PWR-G4G_decoy_scores.csv |
2PJC-343 | data/2P/2PJC-343/2PJC-343_ligand.pdbqt | data/2P/2PJC-343/2PJC-343_target.pdbqt | data/2P/2PJC-343/2PJC-343_decoys.pdbqt | data/2P/2PJC-343/2PJC-343_decoy_scores.csv |
2PES-PDC | data/2P/2PES-PDC/2PES-PDC_ligand.pdbqt | data/2P/2PES-PDC/2PES-PDC_target.pdbqt | null | null |
2PT6-1PG | data/2P/2PT6-1PG/2PT6-1PG_ligand.pdbqt | data/2P/2PT6-1PG/2PT6-1PG_target.pdbqt | data/2P/2PT6-1PG/2PT6-1PG_decoys.pdbqt | data/2P/2PT6-1PG/2PT6-1PG_decoy_scores.csv |
2PJB-983 | data/2P/2PJB-983/2PJB-983_ligand.pdbqt | data/2P/2PJB-983/2PJB-983_target.pdbqt | data/2P/2PJB-983/2PJB-983_decoys.pdbqt | data/2P/2PJB-983/2PJB-983_decoy_scores.csv |
2PG2-ADP | data/2P/2PG2-ADP/2PG2-ADP_ligand.pdbqt | data/2P/2PG2-ADP/2PG2-ADP_target.pdbqt | data/2P/2PG2-ADP/2PG2-ADP_decoys.pdbqt | data/2P/2PG2-ADP/2PG2-ADP_decoy_scores.csv |
2PLM-SIB | data/2P/2PLM-SIB/2PLM-SIB_ligand.pdbqt | data/2P/2PLM-SIB/2PLM-SIB_target.pdbqt | data/2P/2PLM-SIB/2PLM-SIB_decoys.pdbqt | data/2P/2PLM-SIB/2PLM-SIB_decoy_scores.csv |
2PUQ-FUC | data/2P/2PUQ-FUC/2PUQ-FUC_ligand.pdbqt | data/2P/2PUQ-FUC/2PUQ-FUC_target.pdbqt | data/2P/2PUQ-FUC/2PUQ-FUC_decoys.pdbqt | data/2P/2PUQ-FUC/2PUQ-FUC_decoy_scores.csv |
2PES-AZA | data/2P/2PES-AZA/2PES-AZA_ligand.pdbqt | data/2P/2PES-AZA/2PES-AZA_target.pdbqt | null | null |
2PQL-TSS | data/2P/2PQL-TSS/2PQL-TSS_ligand.pdbqt | data/2P/2PQL-TSS/2PQL-TSS_target.pdbqt | data/2P/2PQL-TSS/2PQL-TSS_decoys.pdbqt | data/2P/2PQL-TSS/2PQL-TSS_decoy_scores.csv |
2PUH-HPK | data/2P/2PUH-HPK/2PUH-HPK_ligand.pdbqt | data/2P/2PUH-HPK/2PUH-HPK_target.pdbqt | data/2P/2PUH-HPK/2PUH-HPK_decoys.pdbqt | data/2P/2PUH-HPK/2PUH-HPK_decoy_scores.csv |
2PRH-238 | data/2P/2PRH-238/2PRH-238_ligand.pdbqt | data/2P/2PRH-238/2PRH-238_target.pdbqt | data/2P/2PRH-238/2PRH-238_decoys.pdbqt | data/2P/2PRH-238/2PRH-238_decoy_scores.csv |
2P2I-608 | data/2P/2P2I-608/2P2I-608_ligand.pdbqt | data/2P/2P2I-608/2P2I-608_target.pdbqt | data/2P/2P2I-608/2P2I-608_decoys.pdbqt | data/2P/2P2I-608/2P2I-608_decoy_scores.csv |
2PZL-UDP | data/2P/2PZL-UDP/2PZL-UDP_ligand.pdbqt | data/2P/2PZL-UDP/2PZL-UDP_target.pdbqt | data/2P/2PZL-UDP/2PZL-UDP_decoys.pdbqt | data/2P/2PZL-UDP/2PZL-UDP_decoy_scores.csv |
2PU2-DK2 | data/2P/2PU2-DK2/2PU2-DK2_ligand.pdbqt | data/2P/2PU2-DK2/2PU2-DK2_target.pdbqt | data/2P/2PU2-DK2/2PU2-DK2_decoys.pdbqt | data/2P/2PU2-DK2/2PU2-DK2_decoy_scores.csv |
2P1U-4TN | data/2P/2P1U-4TN/2P1U-4TN_ligand.pdbqt | data/2P/2P1U-4TN/2P1U-4TN_target.pdbqt | data/2P/2P1U-4TN/2P1U-4TN_decoys.pdbqt | data/2P/2P1U-4TN/2P1U-4TN_decoy_scores.csv |
2PYZ-AU4 | data/2P/2PYZ-AU4/2PYZ-AU4_ligand.pdbqt | data/2P/2PYZ-AU4/2PYZ-AU4_target.pdbqt | data/2P/2PYZ-AU4/2PYZ-AU4_decoys.pdbqt | data/2P/2PYZ-AU4/2PYZ-AU4_decoy_scores.csv |
2P71-IHD | data/2P/2P71-IHD/2P71-IHD_ligand.pdbqt | data/2P/2P71-IHD/2P71-IHD_target.pdbqt | data/2P/2P71-IHD/2P71-IHD_decoys.pdbqt | data/2P/2P71-IHD/2P71-IHD_decoy_scores.csv |
2PGN-P6G | data/2P/2PGN-P6G/2PGN-P6G_ligand.pdbqt | data/2P/2PGN-P6G/2PGN-P6G_target.pdbqt | data/2P/2PGN-P6G/2PGN-P6G_decoys.pdbqt | data/2P/2PGN-P6G/2PGN-P6G_decoy_scores.csv |
2PIP-DHT | data/2P/2PIP-DHT/2PIP-DHT_ligand.pdbqt | data/2P/2PIP-DHT/2PIP-DHT_target.pdbqt | data/2P/2PIP-DHT/2PIP-DHT_decoys.pdbqt | data/2P/2PIP-DHT/2PIP-DHT_decoy_scores.csv |
2PVY-ACP | data/2P/2PVY-ACP/2PVY-ACP_ligand.pdbqt | data/2P/2PVY-ACP/2PVY-ACP_target.pdbqt | data/2P/2PVY-ACP/2PVY-ACP_decoys.pdbqt | data/2P/2PVY-ACP/2PVY-ACP_decoy_scores.csv |
2P1O-NLA | data/2P/2P1O-NLA/2P1O-NLA_ligand.pdbqt | data/2P/2P1O-NLA/2P1O-NLA_target.pdbqt | data/2P/2P1O-NLA/2P1O-NLA_decoys.pdbqt | data/2P/2P1O-NLA/2P1O-NLA_decoy_scores.csv |
2PVK-P45 | data/2P/2PVK-P45/2PVK-P45_ligand.pdbqt | data/2P/2PVK-P45/2PVK-P45_target.pdbqt | data/2P/2PVK-P45/2PVK-P45_decoys.pdbqt | data/2P/2PVK-P45/2PVK-P45_decoy_scores.csv |
2PDL-TOL | data/2P/2PDL-TOL/2PDL-TOL_ligand.pdbqt | data/2P/2PDL-TOL/2PDL-TOL_target.pdbqt | data/2P/2PDL-TOL/2PDL-TOL_decoys.pdbqt | data/2P/2PDL-TOL/2PDL-TOL_decoy_scores.csv |
2PR5-FMN | data/2P/2PR5-FMN/2PR5-FMN_ligand.pdbqt | data/2P/2PR5-FMN/2PR5-FMN_target.pdbqt | data/2P/2PR5-FMN/2PR5-FMN_decoys.pdbqt | data/2P/2PR5-FMN/2PR5-FMN_decoy_scores.csv |
2PUL-ACP | data/2P/2PUL-ACP/2PUL-ACP_ligand.pdbqt | data/2P/2PUL-ACP/2PUL-ACP_target.pdbqt | data/2P/2PUL-ACP/2PUL-ACP_decoys.pdbqt | data/2P/2PUL-ACP/2PUL-ACP_decoy_scores.csv |
2P6L-SAH | data/2P/2P6L-SAH/2P6L-SAH_ligand.pdbqt | data/2P/2P6L-SAH/2P6L-SAH_target.pdbqt | data/2P/2P6L-SAH/2P6L-SAH_decoys.pdbqt | data/2P/2P6L-SAH/2P6L-SAH_decoy_scores.csv |
2PIQ-RB1 | data/2P/2PIQ-RB1/2PIQ-RB1_ligand.pdbqt | data/2P/2PIQ-RB1/2PIQ-RB1_target.pdbqt | data/2P/2PIQ-RB1/2PIQ-RB1_decoys.pdbqt | data/2P/2PIQ-RB1/2PIQ-RB1_decoy_scores.csv |
2PA7-TYD | data/2P/2PA7-TYD/2PA7-TYD_ligand.pdbqt | data/2P/2PA7-TYD/2PA7-TYD_target.pdbqt | data/2P/2PA7-TYD/2PA7-TYD_decoys.pdbqt | data/2P/2PA7-TYD/2PA7-TYD_decoy_scores.csv |
2P2A-MP9 | data/2P/2P2A-MP9/2P2A-MP9_ligand.pdbqt | data/2P/2P2A-MP9/2P2A-MP9_target.pdbqt | data/2P/2P2A-MP9/2P2A-MP9_decoys.pdbqt | data/2P/2P2A-MP9/2P2A-MP9_decoy_scores.csv |
2P3K-MNA | data/2P/2P3K-MNA/2P3K-MNA_ligand.pdbqt | data/2P/2P3K-MNA/2P3K-MNA_target.pdbqt | data/2P/2P3K-MNA/2P3K-MNA_decoys.pdbqt | data/2P/2P3K-MNA/2P3K-MNA_decoy_scores.csv |
2PB5-SAH | data/2P/2PB5-SAH/2PB5-SAH_ligand.pdbqt | data/2P/2PB5-SAH/2PB5-SAH_target.pdbqt | data/2P/2PB5-SAH/2PB5-SAH_decoys.pdbqt | data/2P/2PB5-SAH/2PB5-SAH_decoy_scores.csv |
2PIN-LEG | data/2P/2PIN-LEG/2PIN-LEG_ligand.pdbqt | data/2P/2PIN-LEG/2PIN-LEG_target.pdbqt | data/2P/2PIN-LEG/2PIN-LEG_decoys.pdbqt | data/2P/2PIN-LEG/2PIN-LEG_decoy_scores.csv |
2P7Z-OHT | data/2P/2P7Z-OHT/2P7Z-OHT_ligand.pdbqt | data/2P/2P7Z-OHT/2P7Z-OHT_target.pdbqt | data/2P/2P7Z-OHT/2P7Z-OHT_decoys.pdbqt | data/2P/2P7Z-OHT/2P7Z-OHT_decoy_scores.csv |
2PGF-ADN | data/2P/2PGF-ADN/2PGF-ADN_ligand.pdbqt | data/2P/2PGF-ADN/2PGF-ADN_target.pdbqt | data/2P/2PGF-ADN/2PGF-ADN_decoys.pdbqt | data/2P/2PGF-ADN/2PGF-ADN_decoy_scores.csv |
2P5F-SAH | data/2P/2P5F-SAH/2P5F-SAH_ligand.pdbqt | data/2P/2P5F-SAH/2P5F-SAH_target.pdbqt | data/2P/2P5F-SAH/2P5F-SAH_decoys.pdbqt | data/2P/2P5F-SAH/2P5F-SAH_decoy_scores.csv |
2POG-WST | data/2P/2POG-WST/2POG-WST_ligand.pdbqt | data/2P/2POG-WST/2POG-WST_target.pdbqt | data/2P/2POG-WST/2POG-WST_decoys.pdbqt | data/2P/2POG-WST/2POG-WST_decoy_scores.csv |
2P4F-P6G | data/2P/2P4F-P6G/2P4F-P6G_ligand.pdbqt | data/2P/2P4F-P6G/2P4F-P6G_target.pdbqt | data/2P/2P4F-P6G/2P4F-P6G_decoys.pdbqt | data/2P/2P4F-P6G/2P4F-P6G_decoy_scores.csv |
2PRC-UQ2 | data/2P/2PRC-UQ2/2PRC-UQ2_ligand.pdbqt | data/2P/2PRC-UQ2/2PRC-UQ2_target.pdbqt | data/2P/2PRC-UQ2/2PRC-UQ2_decoys.pdbqt | data/2P/2PRC-UQ2/2PRC-UQ2_decoy_scores.csv |
2PL6-HTG | data/2P/2PL6-HTG/2PL6-HTG_ligand.pdbqt | data/2P/2PL6-HTG/2PL6-HTG_target.pdbqt | data/2P/2PL6-HTG/2PL6-HTG_decoys.pdbqt | data/2P/2PL6-HTG/2PL6-HTG_decoy_scores.csv |
2PRJ-NBG | data/2P/2PRJ-NBG/2PRJ-NBG_ligand.pdbqt | data/2P/2PRJ-NBG/2PRJ-NBG_target.pdbqt | data/2P/2PRJ-NBG/2PRJ-NBG_decoys.pdbqt | data/2P/2PRJ-NBG/2PRJ-NBG_decoy_scores.csv |
2PYW-SR1 | data/2P/2PYW-SR1/2PYW-SR1_ligand.pdbqt | data/2P/2PYW-SR1/2PYW-SR1_target.pdbqt | data/2P/2PYW-SR1/2PYW-SR1_decoys.pdbqt | data/2P/2PYW-SR1/2PYW-SR1_decoy_scores.csv |
2PYW-ADP | data/2P/2PYW-ADP/2PYW-ADP_ligand.pdbqt | data/2P/2PYW-ADP/2PYW-ADP_target.pdbqt | data/2P/2PYW-ADP/2PYW-ADP_decoys.pdbqt | data/2P/2PYW-ADP/2PYW-ADP_decoy_scores.csv |
2P9C-NAI | data/2P/2P9C-NAI/2P9C-NAI_ligand.pdbqt | data/2P/2P9C-NAI/2P9C-NAI_target.pdbqt | data/2P/2P9C-NAI/2P9C-NAI_decoys.pdbqt | data/2P/2P9C-NAI/2P9C-NAI_decoy_scores.csv |
2P0D-I3P | data/2P/2P0D-I3P/2P0D-I3P_ligand.pdbqt | data/2P/2P0D-I3P/2P0D-I3P_target.pdbqt | data/2P/2P0D-I3P/2P0D-I3P_decoys.pdbqt | data/2P/2P0D-I3P/2P0D-I3P_decoy_scores.csv |
2P1V-5TN | data/2P/2P1V-5TN/2P1V-5TN_ligand.pdbqt | data/2P/2P1V-5TN/2P1V-5TN_target.pdbqt | data/2P/2P1V-5TN/2P1V-5TN_decoys.pdbqt | data/2P/2P1V-5TN/2P1V-5TN_decoy_scores.csv |
2P33-J07 | data/2P/2P33-J07/2P33-J07_ligand.pdbqt | data/2P/2P33-J07/2P33-J07_target.pdbqt | data/2P/2P33-J07/2P33-J07_decoys.pdbqt | data/2P/2P33-J07/2P33-J07_decoy_scores.csv |
2P1Q-IAC | data/2P/2P1Q-IAC/2P1Q-IAC_ligand.pdbqt | data/2P/2P1Q-IAC/2P1Q-IAC_target.pdbqt | data/2P/2P1Q-IAC/2P1Q-IAC_decoys.pdbqt | data/2P/2P1Q-IAC/2P1Q-IAC_decoy_scores.csv |
2PZJ-NAD | data/2P/2PZJ-NAD/2PZJ-NAD_ligand.pdbqt | data/2P/2PZJ-NAD/2PZJ-NAD_target.pdbqt | data/2P/2PZJ-NAD/2PZJ-NAD_decoys.pdbqt | data/2P/2PZJ-NAD/2PZJ-NAD_decoy_scores.csv |
2PGA-ANU | data/2P/2PGA-ANU/2PGA-ANU_ligand.pdbqt | data/2P/2PGA-ANU/2PGA-ANU_target.pdbqt | data/2P/2PGA-ANU/2PGA-ANU_decoys.pdbqt | data/2P/2PGA-ANU/2PGA-ANU_decoy_scores.csv |
2PO2-CDP | data/2P/2PO2-CDP/2PO2-CDP_ligand.pdbqt | data/2P/2PO2-CDP/2PO2-CDP_target.pdbqt | data/2P/2PO2-CDP/2PO2-CDP_decoys.pdbqt | data/2P/2PO2-CDP/2PO2-CDP_decoy_scores.csv |
2PRL-ORO | data/2P/2PRL-ORO/2PRL-ORO_ligand.pdbqt | data/2P/2PRL-ORO/2PRL-ORO_target.pdbqt | data/2P/2PRL-ORO/2PRL-ORO_decoys.pdbqt | data/2P/2PRL-ORO/2PRL-ORO_decoy_scores.csv |
2P0A-ANP | data/2P/2P0A-ANP/2P0A-ANP_ligand.pdbqt | data/2P/2P0A-ANP/2P0A-ANP_target.pdbqt | data/2P/2P0A-ANP/2P0A-ANP_decoys.pdbqt | data/2P/2P0A-ANP/2P0A-ANP_decoy_scores.csv |
2PIU-DHT | data/2P/2PIU-DHT/2PIU-DHT_ligand.pdbqt | data/2P/2PIU-DHT/2PIU-DHT_target.pdbqt | data/2P/2PIU-DHT/2PIU-DHT_decoys.pdbqt | data/2P/2PIU-DHT/2PIU-DHT_decoy_scores.csv |
2PRN-C8E | data/2P/2PRN-C8E/2PRN-C8E_ligand.pdbqt | data/2P/2PRN-C8E/2PRN-C8E_target.pdbqt | data/2P/2PRN-C8E/2PRN-C8E_decoys.pdbqt | data/2P/2PRN-C8E/2PRN-C8E_decoy_scores.csv |
2PKL-4HY | data/2P/2PKL-4HY/2PKL-4HY_ligand.pdbqt | data/2P/2PKL-4HY/2PKL-4HY_target.pdbqt | data/2P/2PKL-4HY/2PKL-4HY_decoys.pdbqt | data/2P/2PKL-4HY/2PKL-4HY_decoy_scores.csv |
2PWB-COU | data/2P/2PWB-COU/2PWB-COU_ligand.pdbqt | data/2P/2PWB-COU/2PWB-COU_target.pdbqt | data/2P/2PWB-COU/2PWB-COU_decoys.pdbqt | data/2P/2PWB-COU/2PWB-COU_decoy_scores.csv |
2PCI-SAH | data/2P/2PCI-SAH/2PCI-SAH_ligand.pdbqt | data/2P/2PCI-SAH/2PCI-SAH_target.pdbqt | data/2P/2PCI-SAH/2PCI-SAH_decoys.pdbqt | data/2P/2PCI-SAH/2PCI-SAH_decoy_scores.csv |
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