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 ⌀ |
|---|---|---|---|---|
1PWM-FID | data/1P/1PWM-FID/1PWM-FID_ligand.pdbqt | data/1P/1PWM-FID/1PWM-FID_target.pdbqt | data/1P/1PWM-FID/1PWM-FID_decoys.pdbqt | data/1P/1PWM-FID/1PWM-FID_decoy_scores.csv |
1P6H-DP1 | data/1P/1P6H-DP1/1P6H-DP1_ligand.pdbqt | data/1P/1P6H-DP1/1P6H-DP1_target.pdbqt | data/1P/1P6H-DP1/1P6H-DP1_decoys.pdbqt | data/1P/1P6H-DP1/1P6H-DP1_decoy_scores.csv |
1P2S-GNP | data/1P/1P2S-GNP/1P2S-GNP_ligand.pdbqt | data/1P/1P2S-GNP/1P2S-GNP_target.pdbqt | data/1P/1P2S-GNP/1P2S-GNP_decoys.pdbqt | data/1P/1P2S-GNP/1P2S-GNP_decoy_scores.csv |
1PPL-XYS | data/1P/1PPL-XYS/1PPL-XYS_ligand.pdbqt | data/1P/1PPL-XYS/1PPL-XYS_target.pdbqt | data/1P/1PPL-XYS/1PPL-XYS_decoys.pdbqt | data/1P/1PPL-XYS/1PPL-XYS_decoy_scores.csv |
1PS9-FMN | data/1P/1PS9-FMN/1PS9-FMN_ligand.pdbqt | data/1P/1PS9-FMN/1PS9-FMN_target.pdbqt | data/1P/1PS9-FMN/1PS9-FMN_decoys.pdbqt | data/1P/1PS9-FMN/1PS9-FMN_decoy_scores.csv |
1PVS-7HP | data/1P/1PVS-7HP/1PVS-7HP_ligand.pdbqt | data/1P/1PVS-7HP/1PVS-7HP_target.pdbqt | data/1P/1PVS-7HP/1PVS-7HP_decoys.pdbqt | data/1P/1PVS-7HP/1PVS-7HP_decoy_scores.csv |
1PO0-FLC | data/1P/1PO0-FLC/1PO0-FLC_ligand.pdbqt | data/1P/1PO0-FLC/1PO0-FLC_target.pdbqt | data/1P/1PO0-FLC/1PO0-FLC_decoys.pdbqt | data/1P/1PO0-FLC/1PO0-FLC_decoy_scores.csv |
1P6L-DP1 | data/1P/1P6L-DP1/1P6L-DP1_ligand.pdbqt | data/1P/1P6L-DP1/1P6L-DP1_target.pdbqt | data/1P/1P6L-DP1/1P6L-DP1_decoys.pdbqt | data/1P/1P6L-DP1/1P6L-DP1_decoy_scores.csv |
1PE6-E6C | data/1P/1PE6-E6C/1PE6-E6C_ligand.pdbqt | data/1P/1PE6-E6C/1PE6-E6C_target.pdbqt | data/1P/1PE6-E6C/1PE6-E6C_decoys.pdbqt | data/1P/1PE6-E6C/1PE6-E6C_decoy_scores.csv |
1PWG-HE0 | data/1P/1PWG-HE0/1PWG-HE0_ligand.pdbqt | data/1P/1PWG-HE0/1PWG-HE0_target.pdbqt | data/1P/1PWG-HE0/1PWG-HE0_decoys.pdbqt | data/1P/1PWG-HE0/1PWG-HE0_decoy_scores.csv |
1PHB-PFZ | data/1P/1PHB-PFZ/1PHB-PFZ_ligand.pdbqt | data/1P/1PHB-PFZ/1PHB-PFZ_target.pdbqt | data/1P/1PHB-PFZ/1PHB-PFZ_decoys.pdbqt | data/1P/1PHB-PFZ/1PHB-PFZ_decoy_scores.csv |
1PXB-PHB | data/1P/1PXB-PHB/1PXB-PHB_ligand.pdbqt | data/1P/1PXB-PHB/1PXB-PHB_target.pdbqt | data/1P/1PXB-PHB/1PXB-PHB_decoys.pdbqt | data/1P/1PXB-PHB/1PXB-PHB_decoy_scores.csv |
1PN9-GTX | data/1P/1PN9-GTX/1PN9-GTX_ligand.pdbqt | data/1P/1PN9-GTX/1PN9-GTX_target.pdbqt | data/1P/1PN9-GTX/1PN9-GTX_decoys.pdbqt | data/1P/1PN9-GTX/1PN9-GTX_decoy_scores.csv |
1PBB-DOB | data/1P/1PBB-DOB/1PBB-DOB_ligand.pdbqt | data/1P/1PBB-DOB/1PBB-DOB_target.pdbqt | data/1P/1PBB-DOB/1PBB-DOB_decoys.pdbqt | data/1P/1PBB-DOB/1PBB-DOB_decoy_scores.csv |
1PU8-EA1 | data/1P/1PU8-EA1/1PU8-EA1_ligand.pdbqt | data/1P/1PU8-EA1/1PU8-EA1_target.pdbqt | data/1P/1PU8-EA1/1PU8-EA1_decoys.pdbqt | data/1P/1PU8-EA1/1PU8-EA1_decoy_scores.csv |
1PZY-UDP | data/1P/1PZY-UDP/1PZY-UDP_ligand.pdbqt | data/1P/1PZY-UDP/1PZY-UDP_target.pdbqt | data/1P/1PZY-UDP/1PZY-UDP_decoys.pdbqt | data/1P/1PZY-UDP/1PZY-UDP_decoy_scores.csv |
1P9L-PDC | data/1P/1P9L-PDC/1P9L-PDC_ligand.pdbqt | data/1P/1P9L-PDC/1P9L-PDC_target.pdbqt | data/1P/1P9L-PDC/1P9L-PDC_decoys.pdbqt | data/1P/1P9L-PDC/1P9L-PDC_decoy_scores.csv |
1PZ4-PLM | data/1P/1PZ4-PLM/1PZ4-PLM_ligand.pdbqt | data/1P/1PZ4-PLM/1PZ4-PLM_target.pdbqt | data/1P/1PZ4-PLM/1PZ4-PLM_decoys.pdbqt | data/1P/1PZ4-PLM/1PZ4-PLM_decoy_scores.csv |
1PZX-PLM | data/1P/1PZX-PLM/1PZX-PLM_ligand.pdbqt | data/1P/1PZX-PLM/1PZX-PLM_target.pdbqt | data/1P/1PZX-PLM/1PZX-PLM_decoys.pdbqt | data/1P/1PZX-PLM/1PZX-PLM_decoy_scores.csv |
1PKD-UCN | data/1P/1PKD-UCN/1PKD-UCN_ligand.pdbqt | data/1P/1PKD-UCN/1PKD-UCN_target.pdbqt | data/1P/1PKD-UCN/1PKD-UCN_decoys.pdbqt | data/1P/1PKD-UCN/1PKD-UCN_decoy_scores.csv |
1P1W-AMQ | data/1P/1P1W-AMQ/1P1W-AMQ_ligand.pdbqt | data/1P/1P1W-AMQ/1P1W-AMQ_target.pdbqt | data/1P/1P1W-AMQ/1P1W-AMQ_decoys.pdbqt | data/1P/1P1W-AMQ/1P1W-AMQ_decoy_scores.csv |
1PQ7-ARG | data/1P/1PQ7-ARG/1PQ7-ARG_ligand.pdbqt | data/1P/1PQ7-ARG/1PQ7-ARG_target.pdbqt | data/1P/1PQ7-ARG/1PQ7-ARG_decoys.pdbqt | data/1P/1PQ7-ARG/1PQ7-ARG_decoy_scores.csv |
1P0B-PQ0 | data/1P/1P0B-PQ0/1P0B-PQ0_ligand.pdbqt | data/1P/1P0B-PQ0/1P0B-PQ0_target.pdbqt | data/1P/1P0B-PQ0/1P0B-PQ0_decoys.pdbqt | data/1P/1P0B-PQ0/1P0B-PQ0_decoy_scores.csv |
1P62-GEO | data/1P/1P62-GEO/1P62-GEO_ligand.pdbqt | data/1P/1P62-GEO/1P62-GEO_target.pdbqt | data/1P/1P62-GEO/1P62-GEO_decoys.pdbqt | data/1P/1P62-GEO/1P62-GEO_decoy_scores.csv |
1PXL-CK4 | data/1P/1PXL-CK4/1PXL-CK4_ligand.pdbqt | data/1P/1PXL-CK4/1PXL-CK4_target.pdbqt | data/1P/1PXL-CK4/1PXL-CK4_decoys.pdbqt | data/1P/1PXL-CK4/1PXL-CK4_decoy_scores.csv |
1PV8-PB1 | data/1P/1PV8-PB1/1PV8-PB1_ligand.pdbqt | data/1P/1PV8-PB1/1PV8-PB1_target.pdbqt | data/1P/1PV8-PB1/1PV8-PB1_decoys.pdbqt | data/1P/1PV8-PB1/1PV8-PB1_decoy_scores.csv |
1P6K-H4B | data/1P/1P6K-H4B/1P6K-H4B_ligand.pdbqt | data/1P/1P6K-H4B/1P6K-H4B_target.pdbqt | data/1P/1P6K-H4B/1P6K-H4B_decoys.pdbqt | data/1P/1P6K-H4B/1P6K-H4B_decoy_scores.csv |
1PQ9-44B | data/1P/1PQ9-44B/1PQ9-44B_ligand.pdbqt | data/1P/1PQ9-44B/1PQ9-44B_target.pdbqt | data/1P/1PQ9-44B/1PQ9-44B_decoys.pdbqt | data/1P/1PQ9-44B/1PQ9-44B_decoy_scores.csv |
1PTY-PTR | data/1P/1PTY-PTR/1PTY-PTR_ligand.pdbqt | data/1P/1PTY-PTR/1PTY-PTR_target.pdbqt | data/1P/1PTY-PTR/1PTY-PTR_decoys.pdbqt | data/1P/1PTY-PTR/1PTY-PTR_decoy_scores.csv |
1PZJ-15B | data/1P/1PZJ-15B/1PZJ-15B_ligand.pdbqt | data/1P/1PZJ-15B/1PZJ-15B_target.pdbqt | data/1P/1PZJ-15B/1PZJ-15B_decoys.pdbqt | data/1P/1PZJ-15B/1PZJ-15B_decoy_scores.csv |
1PS6-4TP | data/1P/1PS6-4TP/1PS6-4TP_ligand.pdbqt | data/1P/1PS6-4TP/1PS6-4TP_target.pdbqt | data/1P/1PS6-4TP/1PS6-4TP_decoys.pdbqt | data/1P/1PS6-4TP/1PS6-4TP_decoy_scores.csv |
1PPR-PID | data/1P/1PPR-PID/1PPR-PID_ligand.pdbqt | data/1P/1PPR-PID/1PPR-PID_target.pdbqt | data/1P/1PPR-PID/1PPR-PID_decoys.pdbqt | data/1P/1PPR-PID/1PPR-PID_decoy_scores.csv |
1P6C-DII | data/1P/1P6C-DII/1P6C-DII_ligand.pdbqt | data/1P/1P6C-DII/1P6C-DII_target.pdbqt | data/1P/1P6C-DII/1P6C-DII_decoys.pdbqt | data/1P/1P6C-DII/1P6C-DII_decoy_scores.csv |
1PRO-A88 | data/1P/1PRO-A88/1PRO-A88_ligand.pdbqt | data/1P/1PRO-A88/1PRO-A88_target.pdbqt | data/1P/1PRO-A88/1PRO-A88_decoys.pdbqt | data/1P/1PRO-A88/1PRO-A88_decoy_scores.csv |
1PXG-PRF | data/1P/1PXG-PRF/1PXG-PRF_ligand.pdbqt | data/1P/1PXG-PRF/1PXG-PRF_target.pdbqt | data/1P/1PXG-PRF/1PXG-PRF_decoys.pdbqt | data/1P/1PXG-PRF/1PXG-PRF_decoy_scores.csv |
1P31-EPU | data/1P/1P31-EPU/1P31-EPU_ligand.pdbqt | data/1P/1P31-EPU/1P31-EPU_target.pdbqt | data/1P/1P31-EPU/1P31-EPU_decoys.pdbqt | data/1P/1P31-EPU/1P31-EPU_decoy_scores.csv |
1PCK-PEZ | data/1P/1PCK-PEZ/1PCK-PEZ_ligand.pdbqt | data/1P/1PCK-PEZ/1PCK-PEZ_target.pdbqt | data/1P/1PCK-PEZ/1PCK-PEZ_decoys.pdbqt | data/1P/1PCK-PEZ/1PCK-PEZ_decoy_scores.csv |
1PK9-2FA | data/1P/1PK9-2FA/1PK9-2FA_ligand.pdbqt | data/1P/1PK9-2FA/1PK9-2FA_target.pdbqt | data/1P/1PK9-2FA/1PK9-2FA_decoys.pdbqt | data/1P/1PK9-2FA/1PK9-2FA_decoy_scores.csv |
1PJS-SAH | data/1P/1PJS-SAH/1PJS-SAH_ligand.pdbqt | data/1P/1PJS-SAH/1PJS-SAH_target.pdbqt | data/1P/1PJS-SAH/1PJS-SAH_decoys.pdbqt | data/1P/1PJS-SAH/1PJS-SAH_decoy_scores.csv |
1PW7-RAB | data/1P/1PW7-RAB/1PW7-RAB_ligand.pdbqt | data/1P/1PW7-RAB/1PW7-RAB_target.pdbqt | data/1P/1PW7-RAB/1PW7-RAB_decoys.pdbqt | data/1P/1PW7-RAB/1PW7-RAB_decoy_scores.csv |
1PH0-418 | data/1P/1PH0-418/1PH0-418_ligand.pdbqt | data/1P/1PH0-418/1PH0-418_target.pdbqt | data/1P/1PH0-418/1PH0-418_decoys.pdbqt | data/1P/1PH0-418/1PH0-418_decoy_scores.csv |
1PFK-FBP | data/1P/1PFK-FBP/1PFK-FBP_ligand.pdbqt | data/1P/1PFK-FBP/1PFK-FBP_target.pdbqt | data/1P/1PFK-FBP/1PFK-FBP_decoys.pdbqt | data/1P/1PFK-FBP/1PFK-FBP_decoy_scores.csv |
1P7I-NHE | data/1P/1P7I-NHE/1P7I-NHE_ligand.pdbqt | data/1P/1P7I-NHE/1P7I-NHE_target.pdbqt | data/1P/1P7I-NHE/1P7I-NHE_decoys.pdbqt | data/1P/1P7I-NHE/1P7I-NHE_decoy_scores.csv |
1P18-PRP | data/1P/1P18-PRP/1P18-PRP_ligand.pdbqt | data/1P/1P18-PRP/1P18-PRP_target.pdbqt | data/1P/1P18-PRP/1P18-PRP_decoys.pdbqt | data/1P/1P18-PRP/1P18-PRP_decoy_scores.csv |
1PPB-0G6 | data/1P/1PPB-0G6/1PPB-0G6_ligand.pdbqt | data/1P/1PPB-0G6/1PPB-0G6_target.pdbqt | data/1P/1PPB-0G6/1PPB-0G6_decoys.pdbqt | data/1P/1PPB-0G6/1PPB-0G6_decoy_scores.csv |
1P5D-G1P | data/1P/1P5D-G1P/1P5D-G1P_ligand.pdbqt | data/1P/1P5D-G1P/1P5D-G1P_target.pdbqt | data/1P/1P5D-G1P/1P5D-G1P_decoys.pdbqt | data/1P/1P5D-G1P/1P5D-G1P_decoy_scores.csv |
1PJ7-FFO | data/1P/1PJ7-FFO/1PJ7-FFO_ligand.pdbqt | data/1P/1PJ7-FFO/1PJ7-FFO_target.pdbqt | data/1P/1PJ7-FFO/1PJ7-FFO_decoys.pdbqt | data/1P/1PJ7-FFO/1PJ7-FFO_decoy_scores.csv |
1PKE-2FD | data/1P/1PKE-2FD/1PKE-2FD_ligand.pdbqt | data/1P/1PKE-2FD/1PKE-2FD_target.pdbqt | data/1P/1PKE-2FD/1PKE-2FD_decoys.pdbqt | data/1P/1PKE-2FD/1PKE-2FD_decoy_scores.csv |
1P7L-ANP | data/1P/1P7L-ANP/1P7L-ANP_ligand.pdbqt | data/1P/1P7L-ANP/1P7L-ANP_target.pdbqt | data/1P/1P7L-ANP/1P7L-ANP_decoys.pdbqt | data/1P/1P7L-ANP/1P7L-ANP_decoy_scores.csv |
1POC-GEL | data/1P/1POC-GEL/1POC-GEL_ligand.pdbqt | data/1P/1POC-GEL/1POC-GEL_target.pdbqt | data/1P/1POC-GEL/1POC-GEL_decoys.pdbqt | data/1P/1POC-GEL/1POC-GEL_decoy_scores.csv |
1PBD-PAB | data/1P/1PBD-PAB/1PBD-PAB_ligand.pdbqt | data/1P/1PBD-PAB/1PBD-PAB_target.pdbqt | data/1P/1PBD-PAB/1PBD-PAB_decoys.pdbqt | data/1P/1PBD-PAB/1PBD-PAB_decoy_scores.csv |
1P4M-FMN | data/1P/1P4M-FMN/1P4M-FMN_ligand.pdbqt | data/1P/1P4M-FMN/1P4M-FMN_target.pdbqt | data/1P/1P4M-FMN/1P4M-FMN_decoys.pdbqt | data/1P/1P4M-FMN/1P4M-FMN_decoy_scores.csv |
1PZ2-AHR | data/1P/1PZ2-AHR/1PZ2-AHR_ligand.pdbqt | data/1P/1PZ2-AHR/1PZ2-AHR_target.pdbqt | data/1P/1PZ2-AHR/1PZ2-AHR_decoys.pdbqt | data/1P/1PZ2-AHR/1PZ2-AHR_decoy_scores.csv |
1PMO-PLR | data/1P/1PMO-PLR/1PMO-PLR_ligand.pdbqt | data/1P/1PMO-PLR/1PMO-PLR_target.pdbqt | data/1P/1PMO-PLR/1PMO-PLR_decoys.pdbqt | data/1P/1PMO-PLR/1PMO-PLR_decoy_scores.csv |
1PX2-ATP | data/1P/1PX2-ATP/1PX2-ATP_ligand.pdbqt | data/1P/1PX2-ATP/1PX2-ATP_target.pdbqt | data/1P/1PX2-ATP/1PX2-ATP_decoys.pdbqt | data/1P/1PX2-ATP/1PX2-ATP_decoy_scores.csv |
1PCW-H4P | data/1P/1PCW-H4P/1PCW-H4P_ligand.pdbqt | data/1P/1PCW-H4P/1PCW-H4P_target.pdbqt | data/1P/1PCW-H4P/1PCW-H4P_decoys.pdbqt | data/1P/1PCW-H4P/1PCW-H4P_decoy_scores.csv |
1PZK-J12 | data/1P/1PZK-J12/1PZK-J12_ligand.pdbqt | data/1P/1PZK-J12/1PZK-J12_target.pdbqt | data/1P/1PZK-J12/1PZK-J12_decoys.pdbqt | data/1P/1PZK-J12/1PZK-J12_decoy_scores.csv |
1PVN-MZP | data/1P/1PVN-MZP/1PVN-MZP_ligand.pdbqt | data/1P/1PVN-MZP/1PVN-MZP_target.pdbqt | data/1P/1PVN-MZP/1PVN-MZP_decoys.pdbqt | data/1P/1PVN-MZP/1PVN-MZP_decoy_scores.csv |
1PPW-EIP | data/1P/1PPW-EIP/1PPW-EIP_ligand.pdbqt | data/1P/1PPW-EIP/1PPW-EIP_target.pdbqt | data/1P/1PPW-EIP/1PPW-EIP_decoys.pdbqt | data/1P/1PPW-EIP/1PPW-EIP_decoy_scores.csv |
1PKK-DCP | data/1P/1PKK-DCP/1PKK-DCP_ligand.pdbqt | data/1P/1PKK-DCP/1PKK-DCP_target.pdbqt | data/1P/1PKK-DCP/1PKK-DCP_decoys.pdbqt | data/1P/1PKK-DCP/1PKK-DCP_decoy_scores.csv |
1PPP-E6C | data/1P/1PPP-E6C/1PPP-E6C_ligand.pdbqt | data/1P/1PPP-E6C/1PPP-E6C_target.pdbqt | data/1P/1PPP-E6C/1PPP-E6C_decoys.pdbqt | data/1P/1PPP-E6C/1PPP-E6C_decoy_scores.csv |
1PMN-984 | data/1P/1PMN-984/1PMN-984_ligand.pdbqt | data/1P/1PMN-984/1PMN-984_target.pdbqt | data/1P/1PMN-984/1PMN-984_decoys.pdbqt | data/1P/1PMN-984/1PMN-984_decoy_scores.csv |
1PIN-1PG | data/1P/1PIN-1PG/1PIN-1PG_ligand.pdbqt | data/1P/1PIN-1PG/1PIN-1PG_target.pdbqt | data/1P/1PIN-1PG/1PIN-1PG_decoys.pdbqt | data/1P/1PIN-1PG/1PIN-1PG_decoy_scores.csv |
1PHK-ATP | data/1P/1PHK-ATP/1PHK-ATP_ligand.pdbqt | data/1P/1PHK-ATP/1PHK-ATP_target.pdbqt | data/1P/1PHK-ATP/1PHK-ATP_decoys.pdbqt | data/1P/1PHK-ATP/1PHK-ATP_decoy_scores.csv |
1PFV-2FM | data/1P/1PFV-2FM/1PFV-2FM_ligand.pdbqt | data/1P/1PFV-2FM/1PFV-2FM_target.pdbqt | data/1P/1PFV-2FM/1PFV-2FM_decoys.pdbqt | data/1P/1PFV-2FM/1PFV-2FM_decoy_scores.csv |
1P5E-TBS | data/1P/1P5E-TBS/1P5E-TBS_ligand.pdbqt | data/1P/1P5E-TBS/1P5E-TBS_target.pdbqt | data/1P/1P5E-TBS/1P5E-TBS_decoys.pdbqt | data/1P/1P5E-TBS/1P5E-TBS_decoy_scores.csv |
1PD9-CO4 | data/1P/1PD9-CO4/1PD9-CO4_ligand.pdbqt | data/1P/1PD9-CO4/1PD9-CO4_target.pdbqt | data/1P/1PD9-CO4/1PD9-CO4_decoys.pdbqt | data/1P/1PD9-CO4/1PD9-CO4_decoy_scores.csv |
1P60-ADP | data/1P/1P60-ADP/1P60-ADP_ligand.pdbqt | data/1P/1P60-ADP/1P60-ADP_target.pdbqt | data/1P/1P60-ADP/1P60-ADP_decoys.pdbqt | data/1P/1P60-ADP/1P60-ADP_decoy_scores.csv |
1PRC-LDA | data/1P/1PRC-LDA/1PRC-LDA_ligand.pdbqt | data/1P/1PRC-LDA/1PRC-LDA_target.pdbqt | data/1P/1PRC-LDA/1PRC-LDA_decoys.pdbqt | data/1P/1PRC-LDA/1PRC-LDA_decoy_scores.csv |
1PB1-ICT | data/1P/1PB1-ICT/1PB1-ICT_ligand.pdbqt | data/1P/1PB1-ICT/1PB1-ICT_target.pdbqt | data/1P/1PB1-ICT/1PB1-ICT_decoys.pdbqt | data/1P/1PB1-ICT/1PB1-ICT_decoy_scores.csv |
1PHF-PIM | data/1P/1PHF-PIM/1PHF-PIM_ligand.pdbqt | data/1P/1PHF-PIM/1PHF-PIM_target.pdbqt | data/1P/1PHF-PIM/1PHF-PIM_decoys.pdbqt | data/1P/1PHF-PIM/1PHF-PIM_decoy_scores.csv |
1PHW-N | data/1P/1PHW-N/1PHW-N_ligand.pdbqt | data/1P/1PHW-N/1PHW-N_target.pdbqt | data/1P/1PHW-N/1PHW-N_decoys.pdbqt | data/1P/1PHW-N/1PHW-N_decoy_scores.csv |
1PRC-NS1 | data/1P/1PRC-NS1/1PRC-NS1_ligand.pdbqt | data/1P/1PRC-NS1/1PRC-NS1_target.pdbqt | data/1P/1PRC-NS1/1PRC-NS1_decoys.pdbqt | data/1P/1PRC-NS1/1PRC-NS1_decoy_scores.csv |
1PCM-M6P | data/1P/1PCM-M6P/1PCM-M6P_ligand.pdbqt | data/1P/1PCM-M6P/1PCM-M6P_target.pdbqt | data/1P/1PCM-M6P/1PCM-M6P_decoys.pdbqt | data/1P/1PCM-M6P/1PCM-M6P_decoy_scores.csv |
1P9P-SAH | data/1P/1P9P-SAH/1P9P-SAH_ligand.pdbqt | data/1P/1P9P-SAH/1P9P-SAH_target.pdbqt | data/1P/1P9P-SAH/1P9P-SAH_decoys.pdbqt | data/1P/1P9P-SAH/1P9P-SAH_decoy_scores.csv |
1P1K-NAI | data/1P/1P1K-NAI/1P1K-NAI_ligand.pdbqt | data/1P/1P1K-NAI/1P1K-NAI_target.pdbqt | data/1P/1P1K-NAI/1P1K-NAI_decoys.pdbqt | data/1P/1P1K-NAI/1P1K-NAI_decoy_scores.csv |
1PJ3-NAD | data/1P/1PJ3-NAD/1PJ3-NAD_ligand.pdbqt | data/1P/1PJ3-NAD/1PJ3-NAD_target.pdbqt | data/1P/1PJ3-NAD/1PJ3-NAD_decoys.pdbqt | data/1P/1PJ3-NAD/1PJ3-NAD_decoy_scores.csv |
1PZI-1DM | data/1P/1PZI-1DM/1PZI-1DM_ligand.pdbqt | data/1P/1PZI-1DM/1PZI-1DM_target.pdbqt | data/1P/1PZI-1DM/1PZI-1DM_decoys.pdbqt | data/1P/1PZI-1DM/1PZI-1DM_decoy_scores.csv |
1PPJ-ANY | data/1P/1PPJ-ANY/1PPJ-ANY_ligand.pdbqt | data/1P/1PPJ-ANY/1PPJ-ANY_target.pdbqt | data/1P/1PPJ-ANY/1PPJ-ANY_decoys.pdbqt | data/1P/1PPJ-ANY/1PPJ-ANY_decoy_scores.csv |
1PPC-MID | data/1P/1PPC-MID/1PPC-MID_ligand.pdbqt | data/1P/1PPC-MID/1PPC-MID_target.pdbqt | data/1P/1PPC-MID/1PPC-MID_decoys.pdbqt | data/1P/1PPC-MID/1PPC-MID_decoy_scores.csv |
1PZH-NAD | data/1P/1PZH-NAD/1PZH-NAD_ligand.pdbqt | data/1P/1PZH-NAD/1PZH-NAD_target.pdbqt | data/1P/1PZH-NAD/1PZH-NAD_decoys.pdbqt | data/1P/1PZH-NAD/1PZH-NAD_decoy_scores.csv |
1PWD-0MU | data/1P/1PWD-0MU/1PWD-0MU_ligand.pdbqt | data/1P/1PWD-0MU/1PWD-0MU_target.pdbqt | data/1P/1PWD-0MU/1PWD-0MU_decoys.pdbqt | data/1P/1PWD-0MU/1PWD-0MU_decoy_scores.csv |
1PX4-IPT | data/1P/1PX4-IPT/1PX4-IPT_ligand.pdbqt | data/1P/1PX4-IPT/1PX4-IPT_target.pdbqt | data/1P/1PX4-IPT/1PX4-IPT_decoys.pdbqt | data/1P/1PX4-IPT/1PX4-IPT_decoy_scores.csv |
1P4H-CR6 | data/1P/1P4H-CR6/1P4H-CR6_ligand.pdbqt | data/1P/1P4H-CR6/1P4H-CR6_target.pdbqt | data/1P/1P4H-CR6/1P4H-CR6_decoys.pdbqt | data/1P/1P4H-CR6/1P4H-CR6_decoy_scores.csv |
1PKX-XMP | data/1P/1PKX-XMP/1PKX-XMP_ligand.pdbqt | data/1P/1PKX-XMP/1PKX-XMP_target.pdbqt | data/1P/1PKX-XMP/1PKX-XMP_decoys.pdbqt | data/1P/1PKX-XMP/1PKX-XMP_decoy_scores.csv |
1P6K-DP1 | data/1P/1P6K-DP1/1P6K-DP1_ligand.pdbqt | data/1P/1P6K-DP1/1P6K-DP1_target.pdbqt | data/1P/1P6K-DP1/1P6K-DP1_decoys.pdbqt | data/1P/1P6K-DP1/1P6K-DP1_decoy_scores.csv |
1P6E-PC5 | data/1P/1P6E-PC5/1P6E-PC5_ligand.pdbqt | data/1P/1P6E-PC5/1P6E-PC5_target.pdbqt | data/1P/1P6E-PC5/1P6E-PC5_decoys.pdbqt | data/1P/1P6E-PC5/1P6E-PC5_decoy_scores.csv |
1PR6-XYA | data/1P/1PR6-XYA/1PR6-XYA_ligand.pdbqt | data/1P/1PR6-XYA/1PR6-XYA_target.pdbqt | data/1P/1PR6-XYA/1PR6-XYA_decoys.pdbqt | data/1P/1PR6-XYA/1PR6-XYA_decoy_scores.csv |
1PJS-NAD | data/1P/1PJS-NAD/1PJS-NAD_ligand.pdbqt | data/1P/1PJS-NAD/1PJS-NAD_target.pdbqt | data/1P/1PJS-NAD/1PJS-NAD_decoys.pdbqt | data/1P/1PJS-NAD/1PJS-NAD_decoy_scores.csv |
1PZJ-J15 | data/1P/1PZJ-J15/1PZJ-J15_ligand.pdbqt | data/1P/1PZJ-J15/1PZJ-J15_target.pdbqt | data/1P/1PZJ-J15/1PZJ-J15_decoys.pdbqt | data/1P/1PZJ-J15/1PZJ-J15_decoy_scores.csv |
1PFW-MF3 | data/1P/1PFW-MF3/1PFW-MF3_ligand.pdbqt | data/1P/1PFW-MF3/1PFW-MF3_target.pdbqt | data/1P/1PFW-MF3/1PFW-MF3_decoys.pdbqt | data/1P/1PFW-MF3/1PFW-MF3_decoy_scores.csv |
1P39-SAH | data/1P/1P39-SAH/1P39-SAH_ligand.pdbqt | data/1P/1P39-SAH/1P39-SAH_target.pdbqt | data/1P/1P39-SAH/1P39-SAH_decoys.pdbqt | data/1P/1P39-SAH/1P39-SAH_decoy_scores.csv |
1P1R-NMH | data/1P/1P1R-NMH/1P1R-NMH_ligand.pdbqt | data/1P/1P1R-NMH/1P1R-NMH_target.pdbqt | data/1P/1P1R-NMH/1P1R-NMH_decoys.pdbqt | data/1P/1P1R-NMH/1P1R-NMH_decoy_scores.csv |
1PJQ-SAH | data/1P/1PJQ-SAH/1PJQ-SAH_ligand.pdbqt | data/1P/1PJQ-SAH/1PJQ-SAH_target.pdbqt | data/1P/1PJQ-SAH/1PJQ-SAH_decoys.pdbqt | data/1P/1PJQ-SAH/1PJQ-SAH_decoy_scores.csv |
1P0E-PRF | data/1P/1P0E-PRF/1P0E-PRF_ligand.pdbqt | data/1P/1P0E-PRF/1P0E-PRF_target.pdbqt | data/1P/1P0E-PRF/1P0E-PRF_decoys.pdbqt | data/1P/1P0E-PRF/1P0E-PRF_decoy_scores.csv |
1PXI-CK1 | data/1P/1PXI-CK1/1PXI-CK1_ligand.pdbqt | data/1P/1PXI-CK1/1PXI-CK1_target.pdbqt | data/1P/1PXI-CK1/1PXI-CK1_decoys.pdbqt | data/1P/1PXI-CK1/1PXI-CK1_decoy_scores.csv |
1P6D-3PC | data/1P/1P6D-3PC/1P6D-3PC_ligand.pdbqt | data/1P/1P6D-3PC/1P6D-3PC_target.pdbqt | data/1P/1P6D-3PC/1P6D-3PC_decoys.pdbqt | data/1P/1P6D-3PC/1P6D-3PC_decoy_scores.csv |
1PL8-NAD | data/1P/1PL8-NAD/1PL8-NAD_ligand.pdbqt | data/1P/1PL8-NAD/1PL8-NAD_target.pdbqt | data/1P/1PL8-NAD/1PL8-NAD_decoys.pdbqt | data/1P/1PL8-NAD/1PL8-NAD_decoy_scores.csv |
1P52-ADP | data/1P/1P52-ADP/1P52-ADP_ligand.pdbqt | data/1P/1P52-ADP/1P52-ADP_target.pdbqt | data/1P/1P52-ADP/1P52-ADP_decoys.pdbqt | data/1P/1P52-ADP/1P52-ADP_decoy_scores.csv |
1P18-7HP | data/1P/1P18-7HP/1P18-7HP_ligand.pdbqt | data/1P/1P18-7HP/1P18-7HP_target.pdbqt | data/1P/1P18-7HP/1P18-7HP_decoys.pdbqt | data/1P/1P18-7HP/1P18-7HP_decoy_scores.csv |
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