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 ⌀ |
|---|---|---|---|---|
1PXR-RET | data/1P/1PXR-RET/1PXR-RET_ligand.pdbqt | data/1P/1PXR-RET/1PXR-RET_target.pdbqt | data/1P/1PXR-RET/1PXR-RET_decoys.pdbqt | data/1P/1PXR-RET/1PXR-RET_decoy_scores.csv |
1PPK-IVV | data/1P/1PPK-IVV/1PPK-IVV_ligand.pdbqt | data/1P/1PPK-IVV/1PPK-IVV_target.pdbqt | data/1P/1PPK-IVV/1PPK-IVV_decoys.pdbqt | data/1P/1PPK-IVV/1PPK-IVV_decoy_scores.csv |
1P84-UQ6 | data/1P/1P84-UQ6/1P84-UQ6_ligand.pdbqt | data/1P/1P84-UQ6/1P84-UQ6_target.pdbqt | data/1P/1P84-UQ6/1P84-UQ6_decoys.pdbqt | data/1P/1P84-UQ6/1P84-UQ6_decoy_scores.csv |
1PPJ-JZR | data/1P/1PPJ-JZR/1PPJ-JZR_ligand.pdbqt | data/1P/1PPJ-JZR/1PPJ-JZR_target.pdbqt | data/1P/1PPJ-JZR/1PPJ-JZR_decoys.pdbqt | data/1P/1PPJ-JZR/1PPJ-JZR_decoy_scores.csv |
1P2A-5BN | data/1P/1P2A-5BN/1P2A-5BN_ligand.pdbqt | data/1P/1P2A-5BN/1P2A-5BN_target.pdbqt | data/1P/1P2A-5BN/1P2A-5BN_decoys.pdbqt | data/1P/1P2A-5BN/1P2A-5BN_decoy_scores.csv |
1PMV-537 | data/1P/1PMV-537/1PMV-537_ligand.pdbqt | data/1P/1PMV-537/1PMV-537_target.pdbqt | data/1P/1PMV-537/1PMV-537_decoys.pdbqt | data/1P/1PMV-537/1PMV-537_decoy_scores.csv |
1P2T-GNP | data/1P/1P2T-GNP/1P2T-GNP_ligand.pdbqt | data/1P/1P2T-GNP/1P2T-GNP_target.pdbqt | data/1P/1P2T-GNP/1P2T-GNP_decoys.pdbqt | data/1P/1P2T-GNP/1P2T-GNP_decoy_scores.csv |
1PZO-CBT | data/1P/1PZO-CBT/1PZO-CBT_ligand.pdbqt | data/1P/1PZO-CBT/1PZO-CBT_target.pdbqt | data/1P/1PZO-CBT/1PZO-CBT_decoys.pdbqt | data/1P/1PZO-CBT/1PZO-CBT_decoy_scores.csv |
1P9B-IMO | data/1P/1P9B-IMO/1P9B-IMO_ligand.pdbqt | data/1P/1P9B-IMO/1P9B-IMO_target.pdbqt | data/1P/1P9B-IMO/1P9B-IMO_decoys.pdbqt | data/1P/1P9B-IMO/1P9B-IMO_decoy_scores.csv |
1PTR-PRB | data/1P/1PTR-PRB/1PTR-PRB_ligand.pdbqt | data/1P/1PTR-PRB/1PTR-PRB_target.pdbqt | data/1P/1PTR-PRB/1PTR-PRB_decoys.pdbqt | data/1P/1PTR-PRB/1PTR-PRB_decoy_scores.csv |
1PTW-AMP | data/1P/1PTW-AMP/1PTW-AMP_ligand.pdbqt | data/1P/1PTW-AMP/1PTW-AMP_target.pdbqt | data/1P/1PTW-AMP/1PTW-AMP_decoys.pdbqt | data/1P/1PTW-AMP/1PTW-AMP_decoy_scores.csv |
1P1Q-AMQ | data/1P/1P1Q-AMQ/1P1Q-AMQ_ligand.pdbqt | data/1P/1P1Q-AMQ/1P1Q-AMQ_target.pdbqt | data/1P/1P1Q-AMQ/1P1Q-AMQ_decoys.pdbqt | data/1P/1P1Q-AMQ/1P1Q-AMQ_decoy_scores.csv |
1PX8-XYP | data/1P/1PX8-XYP/1PX8-XYP_ligand.pdbqt | data/1P/1PX8-XYP/1PX8-XYP_target.pdbqt | data/1P/1PX8-XYP/1PX8-XYP_decoys.pdbqt | data/1P/1PX8-XYP/1PX8-XYP_decoy_scores.csv |
1P4M-ADP | data/1P/1P4M-ADP/1P4M-ADP_ligand.pdbqt | data/1P/1P4M-ADP/1P4M-ADP_target.pdbqt | data/1P/1P4M-ADP/1P4M-ADP_decoys.pdbqt | data/1P/1P4M-ADP/1P4M-ADP_decoy_scores.csv |
1PKJ-DUT | data/1P/1PKJ-DUT/1PKJ-DUT_ligand.pdbqt | data/1P/1PKJ-DUT/1PKJ-DUT_target.pdbqt | data/1P/1PKJ-DUT/1PKJ-DUT_decoys.pdbqt | data/1P/1PKJ-DUT/1PKJ-DUT_decoy_scores.csv |
1P6X-THM | data/1P/1P6X-THM/1P6X-THM_ligand.pdbqt | data/1P/1P6X-THM/1P6X-THM_target.pdbqt | data/1P/1P6X-THM/1P6X-THM_decoys.pdbqt | data/1P/1P6X-THM/1P6X-THM_decoy_scores.csv |
1P6N-H4B | data/1P/1P6N-H4B/1P6N-H4B_ligand.pdbqt | data/1P/1P6N-H4B/1P6N-H4B_target.pdbqt | data/1P/1P6N-H4B/1P6N-H4B_decoys.pdbqt | data/1P/1P6N-H4B/1P6N-H4B_decoy_scores.csv |
1P8F-ICT | data/1P/1P8F-ICT/1P8F-ICT_ligand.pdbqt | data/1P/1P8F-ICT/1P8F-ICT_target.pdbqt | data/1P/1P8F-ICT/1P8F-ICT_decoys.pdbqt | data/1P/1P8F-ICT/1P8F-ICT_decoy_scores.csv |
1PO7-TZD | data/1P/1PO7-TZD/1PO7-TZD_ligand.pdbqt | data/1P/1PO7-TZD/1PO7-TZD_target.pdbqt | data/1P/1PO7-TZD/1PO7-TZD_decoys.pdbqt | data/1P/1PO7-TZD/1PO7-TZD_decoy_scores.csv |
1PPV-BHI | data/1P/1PPV-BHI/1PPV-BHI_ligand.pdbqt | data/1P/1PPV-BHI/1PPV-BHI_target.pdbqt | data/1P/1PPV-BHI/1PPV-BHI_decoys.pdbqt | data/1P/1PPV-BHI/1PPV-BHI_decoy_scores.csv |
1PCJ-M1P | data/1P/1PCJ-M1P/1PCJ-M1P_ligand.pdbqt | data/1P/1PCJ-M1P/1PCJ-M1P_target.pdbqt | data/1P/1PCJ-M1P/1PCJ-M1P_decoys.pdbqt | data/1P/1PCJ-M1P/1PCJ-M1P_decoy_scores.csv |
1P4J-CBF | data/1P/1P4J-CBF/1P4J-CBF_ligand.pdbqt | data/1P/1P4J-CBF/1P4J-CBF_target.pdbqt | data/1P/1P4J-CBF/1P4J-CBF_decoys.pdbqt | data/1P/1P4J-CBF/1P4J-CBF_decoy_scores.csv |
1PR2-MDR | data/1P/1PR2-MDR/1PR2-MDR_ligand.pdbqt | data/1P/1PR2-MDR/1PR2-MDR_target.pdbqt | data/1P/1PR2-MDR/1PR2-MDR_decoys.pdbqt | data/1P/1PR2-MDR/1PR2-MDR_decoy_scores.csv |
1PFK-ADP | data/1P/1PFK-ADP/1PFK-ADP_ligand.pdbqt | data/1P/1PFK-ADP/1PFK-ADP_target.pdbqt | data/1P/1PFK-ADP/1PFK-ADP_decoys.pdbqt | data/1P/1PFK-ADP/1PFK-ADP_decoy_scores.csv |
1PG2-ADN | data/1P/1PG2-ADN/1PG2-ADN_ligand.pdbqt | data/1P/1PG2-ADN/1PG2-ADN_target.pdbqt | data/1P/1PG2-ADN/1PG2-ADN_decoys.pdbqt | data/1P/1PG2-ADN/1PG2-ADN_decoy_scores.csv |
1PWL-BFI | data/1P/1PWL-BFI/1PWL-BFI_ligand.pdbqt | data/1P/1PWL-BFI/1PWL-BFI_target.pdbqt | data/1P/1PWL-BFI/1PWL-BFI_decoys.pdbqt | data/1P/1PWL-BFI/1PWL-BFI_decoy_scores.csv |
1PVC-SPH | data/1P/1PVC-SPH/1PVC-SPH_ligand.pdbqt | data/1P/1PVC-SPH/1PVC-SPH_target.pdbqt | data/1P/1PVC-SPH/1PVC-SPH_decoys.pdbqt | data/1P/1PVC-SPH/1PVC-SPH_decoy_scores.csv |
1P5G-G6P | data/1P/1P5G-G6P/1P5G-G6P_ligand.pdbqt | data/1P/1P5G-G6P/1P5G-G6P_target.pdbqt | data/1P/1P5G-G6P/1P5G-G6P_decoys.pdbqt | data/1P/1P5G-G6P/1P5G-G6P_decoy_scores.csv |
1PR0-NOS | data/1P/1PR0-NOS/1PR0-NOS_ligand.pdbqt | data/1P/1PR0-NOS/1PR0-NOS_target.pdbqt | data/1P/1PR0-NOS/1PR0-NOS_decoys.pdbqt | data/1P/1PR0-NOS/1PR0-NOS_decoy_scores.csv |
1P8I-SQU | data/1P/1P8I-SQU/1P8I-SQU_ligand.pdbqt | data/1P/1P8I-SQU/1P8I-SQU_target.pdbqt | data/1P/1P8I-SQU/1P8I-SQU_decoys.pdbqt | data/1P/1P8I-SQU/1P8I-SQU_decoy_scores.csv |
1PZP-FTA | data/1P/1PZP-FTA/1PZP-FTA_ligand.pdbqt | data/1P/1PZP-FTA/1PZP-FTA_target.pdbqt | data/1P/1PZP-FTA/1PZP-FTA_decoys.pdbqt | data/1P/1PZP-FTA/1PZP-FTA_decoy_scores.csv |
1P5Z-AR3 | data/1P/1P5Z-AR3/1P5Z-AR3_ligand.pdbqt | data/1P/1P5Z-AR3/1P5Z-AR3_target.pdbqt | data/1P/1P5Z-AR3/1P5Z-AR3_decoys.pdbqt | data/1P/1P5Z-AR3/1P5Z-AR3_decoy_scores.csv |
1P2U-GNP | data/1P/1P2U-GNP/1P2U-GNP_ligand.pdbqt | data/1P/1P2U-GNP/1P2U-GNP_target.pdbqt | data/1P/1P2U-GNP/1P2U-GNP_decoys.pdbqt | data/1P/1P2U-GNP/1P2U-GNP_decoy_scores.csv |
1PPJ-SMA | data/1P/1PPJ-SMA/1PPJ-SMA_ligand.pdbqt | data/1P/1PPJ-SMA/1PPJ-SMA_target.pdbqt | data/1P/1PPJ-SMA/1PPJ-SMA_decoys.pdbqt | data/1P/1PPJ-SMA/1PPJ-SMA_decoy_scores.csv |
1P62-ADP | data/1P/1P62-ADP/1P62-ADP_ligand.pdbqt | data/1P/1P62-ADP/1P62-ADP_target.pdbqt | data/1P/1P62-ADP/1P62-ADP_decoys.pdbqt | data/1P/1P62-ADP/1P62-ADP_decoy_scores.csv |
1PP9-JZR | data/1P/1PP9-JZR/1PP9-JZR_ligand.pdbqt | data/1P/1PP9-JZR/1PP9-JZR_target.pdbqt | data/1P/1PP9-JZR/1PP9-JZR_decoys.pdbqt | data/1P/1PP9-JZR/1PP9-JZR_decoy_scores.csv |
1P7L-SAM | data/1P/1P7L-SAM/1P7L-SAM_ligand.pdbqt | data/1P/1P7L-SAM/1P7L-SAM_target.pdbqt | data/1P/1P7L-SAM/1P7L-SAM_decoys.pdbqt | data/1P/1P7L-SAM/1P7L-SAM_decoy_scores.csv |
1P4A-PCP | data/1P/1P4A-PCP/1P4A-PCP_ligand.pdbqt | data/1P/1P4A-PCP/1P4A-PCP_target.pdbqt | data/1P/1P4A-PCP/1P4A-PCP_decoys.pdbqt | data/1P/1P4A-PCP/1P4A-PCP_decoy_scores.csv |
1PUC-CPS | data/1P/1PUC-CPS/1PUC-CPS_ligand.pdbqt | data/1P/1PUC-CPS/1PUC-CPS_target.pdbqt | data/1P/1PUC-CPS/1PUC-CPS_decoys.pdbqt | data/1P/1PUC-CPS/1PUC-CPS_decoy_scores.csv |
1P84-DBT | data/1P/1P84-DBT/1P84-DBT_ligand.pdbqt | data/1P/1P84-DBT/1P84-DBT_target.pdbqt | data/1P/1P84-DBT/1P84-DBT_decoys.pdbqt | data/1P/1P84-DBT/1P84-DBT_decoy_scores.csv |
1PD8-CO4 | data/1P/1PD8-CO4/1PD8-CO4_ligand.pdbqt | data/1P/1PD8-CO4/1PD8-CO4_target.pdbqt | data/1P/1PD8-CO4/1PD8-CO4_decoys.pdbqt | data/1P/1PD8-CO4/1PD8-CO4_decoy_scores.csv |
1PY0-YMA | data/1P/1PY0-YMA/1PY0-YMA_ligand.pdbqt | data/1P/1PY0-YMA/1PY0-YMA_target.pdbqt | null | null |
1PZM-5GP | data/1P/1PZM-5GP/1PZM-5GP_ligand.pdbqt | data/1P/1PZM-5GP/1PZM-5GP_target.pdbqt | data/1P/1PZM-5GP/1PZM-5GP_decoys.pdbqt | data/1P/1PZM-5GP/1PZM-5GP_decoy_scores.csv |
1P0Z-FLC | data/1P/1P0Z-FLC/1P0Z-FLC_ligand.pdbqt | data/1P/1P0Z-FLC/1P0Z-FLC_target.pdbqt | null | null |
1POE-GEL | data/1P/1POE-GEL/1POE-GEL_ligand.pdbqt | data/1P/1POE-GEL/1POE-GEL_target.pdbqt | data/1P/1POE-GEL/1POE-GEL_decoys.pdbqt | data/1P/1POE-GEL/1POE-GEL_decoy_scores.csv |
1P43-2PG | data/1P/1P43-2PG/1P43-2PG_ligand.pdbqt | data/1P/1P43-2PG/1P43-2PG_target.pdbqt | data/1P/1P43-2PG/1P43-2PG_decoys.pdbqt | data/1P/1P43-2PG/1P43-2PG_decoy_scores.csv |
1P7L-PPK | data/1P/1P7L-PPK/1P7L-PPK_ligand.pdbqt | data/1P/1P7L-PPK/1P7L-PPK_target.pdbqt | data/1P/1P7L-PPK/1P7L-PPK_decoys.pdbqt | data/1P/1P7L-PPK/1P7L-PPK_decoy_scores.csv |
1PRN-C8E | data/1P/1PRN-C8E/1PRN-C8E_ligand.pdbqt | data/1P/1PRN-C8E/1PRN-C8E_target.pdbqt | data/1P/1PRN-C8E/1PRN-C8E_decoys.pdbqt | data/1P/1PRN-C8E/1PRN-C8E_decoy_scores.csv |
2KIN-ADP | data/2K/2KIN-ADP/2KIN-ADP_ligand.pdbqt | data/2K/2KIN-ADP/2KIN-ADP_target.pdbqt | data/2K/2KIN-ADP/2KIN-ADP_decoys.pdbqt | data/2K/2KIN-ADP/2KIN-ADP_decoy_scores.csv |
2KCE-D16 | data/2K/2KCE-D16/2KCE-D16_ligand.pdbqt | data/2K/2KCE-D16/2KCE-D16_target.pdbqt | data/2K/2KCE-D16/2KCE-D16_decoys.pdbqt | data/2K/2KCE-D16/2KCE-D16_decoy_scores.csv |
2KCE-UMP | data/2K/2KCE-UMP/2KCE-UMP_ligand.pdbqt | data/2K/2KCE-UMP/2KCE-UMP_target.pdbqt | data/2K/2KCE-UMP/2KCE-UMP_decoys.pdbqt | data/2K/2KCE-UMP/2KCE-UMP_decoy_scores.csv |
2KI5-AC2 | data/2K/2KI5-AC2/2KI5-AC2_ligand.pdbqt | data/2K/2KI5-AC2/2KI5-AC2_target.pdbqt | data/2K/2KI5-AC2/2KI5-AC2_decoys.pdbqt | data/2K/2KI5-AC2/2KI5-AC2_decoy_scores.csv |
1GS5-ANP | data/1G/1GS5-ANP/1GS5-ANP_ligand.pdbqt | data/1G/1GS5-ANP/1GS5-ANP_target.pdbqt | data/1G/1GS5-ANP/1GS5-ANP_decoys.pdbqt | data/1G/1GS5-ANP/1GS5-ANP_decoy_scores.csv |
1G8I-P6G | data/1G/1G8I-P6G/1G8I-P6G_ligand.pdbqt | data/1G/1G8I-P6G/1G8I-P6G_target.pdbqt | data/1G/1G8I-P6G/1G8I-P6G_decoys.pdbqt | data/1G/1G8I-P6G/1G8I-P6G_decoy_scores.csv |
1G55-SAH | data/1G/1G55-SAH/1G55-SAH_ligand.pdbqt | data/1G/1G55-SAH/1G55-SAH_target.pdbqt | data/1G/1G55-SAH/1G55-SAH_decoys.pdbqt | data/1G/1G55-SAH/1G55-SAH_decoy_scores.csv |
1GVF-PGH | data/1G/1GVF-PGH/1GVF-PGH_ligand.pdbqt | data/1G/1GVF-PGH/1GVF-PGH_target.pdbqt | data/1G/1GVF-PGH/1GVF-PGH_decoys.pdbqt | data/1G/1GVF-PGH/1GVF-PGH_decoy_scores.csv |
1GEE-NAD | data/1G/1GEE-NAD/1GEE-NAD_ligand.pdbqt | data/1G/1GEE-NAD/1GEE-NAD_target.pdbqt | data/1G/1GEE-NAD/1GEE-NAD_decoys.pdbqt | data/1G/1GEE-NAD/1GEE-NAD_decoy_scores.csv |
1GJB-130 | data/1G/1GJB-130/1GJB-130_ligand.pdbqt | data/1G/1GJB-130/1GJB-130_target.pdbqt | data/1G/1GJB-130/1GJB-130_decoys.pdbqt | data/1G/1GJB-130/1GJB-130_decoy_scores.csv |
1GY8-NAD | data/1G/1GY8-NAD/1GY8-NAD_ligand.pdbqt | data/1G/1GY8-NAD/1GY8-NAD_target.pdbqt | data/1G/1GY8-NAD/1GY8-NAD_decoys.pdbqt | data/1G/1GY8-NAD/1GY8-NAD_decoy_scores.csv |
1GDK-ISQ | data/1G/1GDK-ISQ/1GDK-ISQ_ligand.pdbqt | data/1G/1GDK-ISQ/1GDK-ISQ_target.pdbqt | data/1G/1GDK-ISQ/1GDK-ISQ_decoys.pdbqt | data/1G/1GDK-ISQ/1GDK-ISQ_decoy_scores.csv |
1GVS-TNF | data/1G/1GVS-TNF/1GVS-TNF_ligand.pdbqt | data/1G/1GVS-TNF/1GVS-TNF_target.pdbqt | data/1G/1GVS-TNF/1GVS-TNF_decoys.pdbqt | data/1G/1GVS-TNF/1GVS-TNF_decoy_scores.csv |
1GZF-ADP | data/1G/1GZF-ADP/1GZF-ADP_ligand.pdbqt | data/1G/1GZF-ADP/1GZF-ADP_target.pdbqt | data/1G/1GZF-ADP/1GZF-ADP_decoys.pdbqt | data/1G/1GZF-ADP/1GZF-ADP_decoy_scores.csv |
1GM9-SOX | data/1G/1GM9-SOX/1GM9-SOX_ligand.pdbqt | data/1G/1GM9-SOX/1GM9-SOX_target.pdbqt | data/1G/1GM9-SOX/1GM9-SOX_decoys.pdbqt | data/1G/1GM9-SOX/1GM9-SOX_decoy_scores.csv |
1G45-FSB | data/1G/1G45-FSB/1G45-FSB_ligand.pdbqt | data/1G/1G45-FSB/1G45-FSB_target.pdbqt | data/1G/1G45-FSB/1G45-FSB_decoys.pdbqt | data/1G/1G45-FSB/1G45-FSB_decoy_scores.csv |
1GPJ-GMC | data/1G/1GPJ-GMC/1GPJ-GMC_ligand.pdbqt | data/1G/1GPJ-GMC/1GPJ-GMC_target.pdbqt | data/1G/1GPJ-GMC/1GPJ-GMC_decoys.pdbqt | data/1G/1GPJ-GMC/1GPJ-GMC_decoy_scores.csv |
1GFI-GDP | data/1G/1GFI-GDP/1GFI-GDP_ligand.pdbqt | data/1G/1GFI-GDP/1GFI-GDP_target.pdbqt | null | null |
1GX6-UTP | data/1G/1GX6-UTP/1GX6-UTP_ligand.pdbqt | data/1G/1GX6-UTP/1GX6-UTP_target.pdbqt | data/1G/1GX6-UTP/1GX6-UTP_decoys.pdbqt | data/1G/1GX6-UTP/1GX6-UTP_decoy_scores.csv |
1GYK-CDG | data/1G/1GYK-CDG/1GYK-CDG_ligand.pdbqt | data/1G/1GYK-CDG/1GYK-CDG_target.pdbqt | data/1G/1GYK-CDG/1GYK-CDG_decoys.pdbqt | data/1G/1GYK-CDG/1GYK-CDG_decoy_scores.csv |
1GZZ-C15 | data/1G/1GZZ-C15/1GZZ-C15_ligand.pdbqt | data/1G/1GZZ-C15/1GZZ-C15_target.pdbqt | data/1G/1GZZ-C15/1GZZ-C15_decoys.pdbqt | data/1G/1GZZ-C15/1GZZ-C15_decoy_scores.csv |
1G4J-FFB | data/1G/1G4J-FFB/1G4J-FFB_ligand.pdbqt | data/1G/1G4J-FFB/1G4J-FFB_target.pdbqt | data/1G/1G4J-FFB/1G4J-FFB_decoys.pdbqt | data/1G/1G4J-FFB/1G4J-FFB_decoy_scores.csv |
1G78-FMN | data/1G/1G78-FMN/1G78-FMN_ligand.pdbqt | data/1G/1G78-FMN/1G78-FMN_target.pdbqt | data/1G/1G78-FMN/1G78-FMN_decoys.pdbqt | data/1G/1G78-FMN/1G78-FMN_decoy_scores.csv |
1GZ8-MBP | data/1G/1GZ8-MBP/1GZ8-MBP_ligand.pdbqt | data/1G/1GZ8-MBP/1GZ8-MBP_target.pdbqt | data/1G/1GZ8-MBP/1GZ8-MBP_decoys.pdbqt | data/1G/1GZ8-MBP/1GZ8-MBP_decoy_scores.csv |
1GPY-G6P | data/1G/1GPY-G6P/1GPY-G6P_ligand.pdbqt | data/1G/1GPY-G6P/1GPY-G6P_target.pdbqt | data/1G/1GPY-G6P/1GPY-G6P_decoys.pdbqt | data/1G/1GPY-G6P/1GPY-G6P_decoy_scores.csv |
1GSE-EAA | data/1G/1GSE-EAA/1GSE-EAA_ligand.pdbqt | data/1G/1GSE-EAA/1GSE-EAA_target.pdbqt | data/1G/1GSE-EAA/1GSE-EAA_decoys.pdbqt | data/1G/1GSE-EAA/1GSE-EAA_decoy_scores.csv |
1GVR-TNL | data/1G/1GVR-TNL/1GVR-TNL_ligand.pdbqt | data/1G/1GVR-TNL/1GVR-TNL_target.pdbqt | data/1G/1GVR-TNL/1GVR-TNL_decoys.pdbqt | data/1G/1GVR-TNL/1GVR-TNL_decoy_scores.csv |
1GHX-BMZ | data/1G/1GHX-BMZ/1GHX-BMZ_ligand.pdbqt | data/1G/1GHX-BMZ/1GHX-BMZ_target.pdbqt | data/1G/1GHX-BMZ/1GHX-BMZ_decoys.pdbqt | data/1G/1GHX-BMZ/1GHX-BMZ_decoy_scores.csv |
1GI5-123 | data/1G/1GI5-123/1GI5-123_ligand.pdbqt | data/1G/1GI5-123/1GI5-123_target.pdbqt | data/1G/1GI5-123/1GI5-123_decoys.pdbqt | data/1G/1GI5-123/1GI5-123_decoy_scores.csv |
1G4O-BSB | data/1G/1G4O-BSB/1G4O-BSB_ligand.pdbqt | data/1G/1G4O-BSB/1G4O-BSB_target.pdbqt | data/1G/1G4O-BSB/1G4O-BSB_decoys.pdbqt | data/1G/1G4O-BSB/1G4O-BSB_decoy_scores.csv |
1G3B-108 | data/1G/1G3B-108/1G3B-108_ligand.pdbqt | data/1G/1G3B-108/1G3B-108_target.pdbqt | data/1G/1G3B-108/1G3B-108_decoys.pdbqt | data/1G/1G3B-108/1G3B-108_decoy_scores.csv |
1G48-F6B | data/1G/1G48-F6B/1G48-F6B_ligand.pdbqt | data/1G/1G48-F6B/1G48-F6B_target.pdbqt | data/1G/1G48-F6B/1G48-F6B_decoys.pdbqt | data/1G/1G48-F6B/1G48-F6B_decoy_scores.csv |
1GQT-ACP | data/1G/1GQT-ACP/1GQT-ACP_ligand.pdbqt | data/1G/1GQT-ACP/1GQT-ACP_target.pdbqt | null | null |
1GZ5-UDP | data/1G/1GZ5-UDP/1GZ5-UDP_ligand.pdbqt | data/1G/1GZ5-UDP/1GZ5-UDP_target.pdbqt | data/1G/1GZ5-UDP/1GZ5-UDP_decoys.pdbqt | data/1G/1GZ5-UDP/1GZ5-UDP_decoy_scores.csv |
1GX5-GTP | data/1G/1GX5-GTP/1GX5-GTP_ligand.pdbqt | data/1G/1GX5-GTP/1GX5-GTP_target.pdbqt | data/1G/1GX5-GTP/1GX5-GTP_decoys.pdbqt | data/1G/1GX5-GTP/1GX5-GTP_decoy_scores.csv |
1GWC-GTX | data/1G/1GWC-GTX/1GWC-GTX_ligand.pdbqt | data/1G/1GWC-GTX/1GWC-GTX_target.pdbqt | data/1G/1GWC-GTX/1GWC-GTX_decoys.pdbqt | data/1G/1GWC-GTX/1GWC-GTX_decoy_scores.csv |
1GVR-FMN | data/1G/1GVR-FMN/1GVR-FMN_ligand.pdbqt | data/1G/1GVR-FMN/1GVR-FMN_target.pdbqt | data/1G/1GVR-FMN/1GVR-FMN_decoys.pdbqt | data/1G/1GVR-FMN/1GVR-FMN_decoy_scores.csv |
1GHP-PNM | data/1G/1GHP-PNM/1GHP-PNM_ligand.pdbqt | data/1G/1GHP-PNM/1GHP-PNM_target.pdbqt | data/1G/1GHP-PNM/1GHP-PNM_decoys.pdbqt | data/1G/1GHP-PNM/1GHP-PNM_decoy_scores.csv |
1GSI-TMP | data/1G/1GSI-TMP/1GSI-TMP_ligand.pdbqt | data/1G/1GSI-TMP/1GSI-TMP_target.pdbqt | data/1G/1GSI-TMP/1GSI-TMP_decoys.pdbqt | data/1G/1GSI-TMP/1GSI-TMP_decoy_scores.csv |
1GRP-ICT | data/1G/1GRP-ICT/1GRP-ICT_ligand.pdbqt | data/1G/1GRP-ICT/1GRP-ICT_target.pdbqt | data/1G/1GRP-ICT/1GRP-ICT_decoys.pdbqt | data/1G/1GRP-ICT/1GRP-ICT_decoy_scores.csv |
1G27-BB1 | data/1G/1G27-BB1/1G27-BB1_ligand.pdbqt | data/1G/1G27-BB1/1G27-BB1_target.pdbqt | data/1G/1G27-BB1/1G27-BB1_decoys.pdbqt | data/1G/1G27-BB1/1G27-BB1_decoy_scores.csv |
1G51-AMO | data/1G/1G51-AMO/1G51-AMO_ligand.pdbqt | data/1G/1G51-AMO/1G51-AMO_target.pdbqt | data/1G/1G51-AMO/1G51-AMO_decoys.pdbqt | data/1G/1G51-AMO/1G51-AMO_decoy_scores.csv |
1GI4-122 | data/1G/1GI4-122/1GI4-122_ligand.pdbqt | data/1G/1GI4-122/1GI4-122_target.pdbqt | data/1G/1GI4-122/1GI4-122_decoys.pdbqt | data/1G/1GI4-122/1GI4-122_decoy_scores.csv |
1G53-F6B | data/1G/1G53-F6B/1G53-F6B_ligand.pdbqt | data/1G/1G53-F6B/1G53-F6B_target.pdbqt | data/1G/1G53-F6B/1G53-F6B_decoys.pdbqt | data/1G/1G53-F6B/1G53-F6B_decoy_scores.csv |
1G6C-TZP | data/1G/1G6C-TZP/1G6C-TZP_ligand.pdbqt | data/1G/1G6C-TZP/1G6C-TZP_target.pdbqt | data/1G/1G6C-TZP/1G6C-TZP_decoys.pdbqt | data/1G/1G6C-TZP/1G6C-TZP_decoy_scores.csv |
1GD1-NAD | data/1G/1GD1-NAD/1GD1-NAD_ligand.pdbqt | data/1G/1GD1-NAD/1GD1-NAD_target.pdbqt | data/1G/1GD1-NAD/1GD1-NAD_decoys.pdbqt | data/1G/1GD1-NAD/1GD1-NAD_decoy_scores.csv |
1G4K-HQQ | data/1G/1G4K-HQQ/1G4K-HQQ_ligand.pdbqt | data/1G/1G4K-HQQ/1G4K-HQQ_target.pdbqt | data/1G/1G4K-HQQ/1G4K-HQQ_decoys.pdbqt | data/1G/1G4K-HQQ/1G4K-HQQ_decoy_scores.csv |
1GBN-GAB | data/1G/1GBN-GAB/1GBN-GAB_ligand.pdbqt | data/1G/1GBN-GAB/1GBN-GAB_target.pdbqt | data/1G/1GBN-GAB/1GBN-GAB_decoys.pdbqt | data/1G/1GBN-GAB/1GBN-GAB_decoy_scores.csv |
1GJ8-133 | data/1G/1GJ8-133/1GJ8-133_ligand.pdbqt | data/1G/1GJ8-133/1GJ8-133_target.pdbqt | data/1G/1GJ8-133/1GJ8-133_decoys.pdbqt | data/1G/1GJ8-133/1GJ8-133_decoy_scores.csv |
1GMR-2GP | data/1G/1GMR-2GP/1GMR-2GP_ligand.pdbqt | data/1G/1GMR-2GP/1GMR-2GP_target.pdbqt | data/1G/1GMR-2GP/1GMR-2GP_decoys.pdbqt | data/1G/1GMR-2GP/1GMR-2GP_decoy_scores.csv |
1GP6-DH2 | data/1G/1GP6-DH2/1GP6-DH2_ligand.pdbqt | data/1G/1GP6-DH2/1GP6-DH2_target.pdbqt | data/1G/1GP6-DH2/1GP6-DH2_decoys.pdbqt | data/1G/1GP6-DH2/1GP6-DH2_decoy_scores.csv |
1GR0-NAD | data/1G/1GR0-NAD/1GR0-NAD_ligand.pdbqt | data/1G/1GR0-NAD/1GR0-NAD_target.pdbqt | data/1G/1GR0-NAD/1GR0-NAD_decoys.pdbqt | data/1G/1GR0-NAD/1GR0-NAD_decoy_scores.csv |
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