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 ⌀ |
|---|---|---|---|---|
3BIR-2GP | data/3B/3BIR-2GP/3BIR-2GP_ligand.pdbqt | data/3B/3BIR-2GP/3BIR-2GP_target.pdbqt | data/3B/3BIR-2GP/3BIR-2GP_decoys.pdbqt | data/3B/3BIR-2GP/3BIR-2GP_decoy_scores.csv |
3BGB-LJG | data/3B/3BGB-LJG/3BGB-LJG_ligand.pdbqt | data/3B/3BGB-LJG/3BGB-LJG_target.pdbqt | data/3B/3BGB-LJG/3BGB-LJG_decoys.pdbqt | data/3B/3BGB-LJG/3BGB-LJG_decoy_scores.csv |
3BQZ-MGR | data/3B/3BQZ-MGR/3BQZ-MGR_ligand.pdbqt | data/3B/3BQZ-MGR/3BQZ-MGR_target.pdbqt | data/3B/3BQZ-MGR/3BQZ-MGR_decoys.pdbqt | data/3B/3BQZ-MGR/3BQZ-MGR_decoy_scores.csv |
3BGC-LJH | data/3B/3BGC-LJH/3BGC-LJH_ligand.pdbqt | data/3B/3BGC-LJH/3BGC-LJH_target.pdbqt | data/3B/3BGC-LJH/3BGC-LJH_decoys.pdbqt | data/3B/3BGC-LJH/3BGC-LJH_decoy_scores.csv |
3B3B-TRP | data/3B/3B3B-TRP/3B3B-TRP_ligand.pdbqt | data/3B/3B3B-TRP/3B3B-TRP_target.pdbqt | data/3B/3B3B-TRP/3B3B-TRP_decoys.pdbqt | data/3B/3B3B-TRP/3B3B-TRP_decoy_scores.csv |
3B26-B2L | data/3B/3B26-B2L/3B26-B2L_ligand.pdbqt | data/3B/3B26-B2L/3B26-B2L_target.pdbqt | data/3B/3B26-B2L/3B26-B2L_decoys.pdbqt | data/3B/3B26-B2L/3B26-B2L_decoy_scores.csv |
3BBH-SFG | data/3B/3BBH-SFG/3BBH-SFG_ligand.pdbqt | data/3B/3BBH-SFG/3BBH-SFG_target.pdbqt | data/3B/3BBH-SFG/3BBH-SFG_decoys.pdbqt | data/3B/3BBH-SFG/3BBH-SFG_decoy_scores.csv |
3B3C-PLU | data/3B/3B3C-PLU/3B3C-PLU_ligand.pdbqt | data/3B/3B3C-PLU/3B3C-PLU_target.pdbqt | data/3B/3B3C-PLU/3B3C-PLU_decoys.pdbqt | data/3B/3B3C-PLU/3B3C-PLU_decoy_scores.csv |
3BCJ-FIS | data/3B/3BCJ-FIS/3BCJ-FIS_ligand.pdbqt | data/3B/3BCJ-FIS/3BCJ-FIS_target.pdbqt | data/3B/3BCJ-FIS/3BCJ-FIS_decoys.pdbqt | data/3B/3BCJ-FIS/3BCJ-FIS_decoy_scores.csv |
3BWD-GDP | data/3B/3BWD-GDP/3BWD-GDP_ligand.pdbqt | data/3B/3BWD-GDP/3BWD-GDP_target.pdbqt | data/3B/3BWD-GDP/3BWD-GDP_decoys.pdbqt | data/3B/3BWD-GDP/3BWD-GDP_decoy_scores.csv |
3BL0-BL0 | data/3B/3BL0-BL0/3BL0-BL0_ligand.pdbqt | data/3B/3BL0-BL0/3BL0-BL0_target.pdbqt | data/3B/3BL0-BL0/3BL0-BL0_decoys.pdbqt | data/3B/3BL0-BL0/3BL0-BL0_decoy_scores.csv |
3BAR-U5P | data/3B/3BAR-U5P/3BAR-U5P_ligand.pdbqt | data/3B/3BAR-U5P/3BAR-U5P_target.pdbqt | data/3B/3BAR-U5P/3BAR-U5P_decoys.pdbqt | data/3B/3BAR-U5P/3BAR-U5P_decoy_scores.csv |
3BGV-SAH | data/3B/3BGV-SAH/3BGV-SAH_ligand.pdbqt | data/3B/3BGV-SAH/3BGV-SAH_target.pdbqt | data/3B/3BGV-SAH/3BGV-SAH_decoys.pdbqt | data/3B/3BGV-SAH/3BGV-SAH_decoy_scores.csv |
3B44-BNG | data/3B/3B44-BNG/3B44-BNG_ligand.pdbqt | data/3B/3B44-BNG/3B44-BNG_target.pdbqt | data/3B/3B44-BNG/3B44-BNG_decoys.pdbqt | data/3B/3B44-BNG/3B44-BNG_decoy_scores.csv |
3BFH-PLM | data/3B/3BFH-PLM/3BFH-PLM_ligand.pdbqt | data/3B/3BFH-PLM/3BFH-PLM_target.pdbqt | data/3B/3BFH-PLM/3BFH-PLM_decoys.pdbqt | data/3B/3BFH-PLM/3BFH-PLM_decoy_scores.csv |
3B8H-NAD | data/3B/3B8H-NAD/3B8H-NAD_ligand.pdbqt | data/3B/3B8H-NAD/3B8H-NAD_target.pdbqt | data/3B/3B8H-NAD/3B8H-NAD_decoys.pdbqt | data/3B/3B8H-NAD/3B8H-NAD_decoy_scores.csv |
3BAF-SKM | data/3B/3BAF-SKM/3BAF-SKM_ligand.pdbqt | data/3B/3BAF-SKM/3BAF-SKM_target.pdbqt | data/3B/3BAF-SKM/3BAF-SKM_decoys.pdbqt | data/3B/3BAF-SKM/3BAF-SKM_decoy_scores.csv |
3B25-B2K | data/3B/3B25-B2K/3B25-B2K_ligand.pdbqt | data/3B/3B25-B2K/3B25-B2K_target.pdbqt | data/3B/3B25-B2K/3B25-B2K_decoys.pdbqt | data/3B/3B25-B2K/3B25-B2K_decoy_scores.csv |
3BLU-PVS | data/3B/3BLU-PVS/3BLU-PVS_ligand.pdbqt | data/3B/3BLU-PVS/3BLU-PVS_target.pdbqt | data/3B/3BLU-PVS/3BLU-PVS_decoys.pdbqt | data/3B/3BLU-PVS/3BLU-PVS_decoy_scores.csv |
3BPZ-CMP | data/3B/3BPZ-CMP/3BPZ-CMP_ligand.pdbqt | data/3B/3BPZ-CMP/3BPZ-CMP_target.pdbqt | data/3B/3BPZ-CMP/3BPZ-CMP_decoys.pdbqt | data/3B/3BPZ-CMP/3BPZ-CMP_decoy_scores.csv |
3BE8-FLC | data/3B/3BE8-FLC/3BE8-FLC_ligand.pdbqt | data/3B/3BE8-FLC/3BE8-FLC_target.pdbqt | data/3B/3BE8-FLC/3BE8-FLC_decoys.pdbqt | data/3B/3BE8-FLC/3BE8-FLC_decoy_scores.csv |
3BSA-1PD | data/3B/3BSA-1PD/3BSA-1PD_ligand.pdbqt | data/3B/3BSA-1PD/3BSA-1PD_target.pdbqt | data/3B/3BSA-1PD/3BSA-1PD_decoys.pdbqt | data/3B/3BSA-1PD/3BSA-1PD_decoy_scores.csv |
3BZ3-YAM | data/3B/3BZ3-YAM/3BZ3-YAM_ligand.pdbqt | data/3B/3BZ3-YAM/3BZ3-YAM_target.pdbqt | data/3B/3BZ3-YAM/3BZ3-YAM_decoys.pdbqt | data/3B/3BZ3-YAM/3BZ3-YAM_decoy_scores.csv |
3B6L-SDS | data/3B/3B6L-SDS/3B6L-SDS_ligand.pdbqt | data/3B/3B6L-SDS/3B6L-SDS_target.pdbqt | data/3B/3B6L-SDS/3B6L-SDS_decoys.pdbqt | data/3B/3B6L-SDS/3B6L-SDS_decoy_scores.csv |
3BRP-BLA | data/3B/3BRP-BLA/3BRP-BLA_ligand.pdbqt | data/3B/3BRP-BLA/3BRP-BLA_target.pdbqt | data/3B/3BRP-BLA/3BRP-BLA_decoys.pdbqt | data/3B/3BRP-BLA/3BRP-BLA_decoy_scores.csv |
3BCR-AZZ | data/3B/3BCR-AZZ/3BCR-AZZ_ligand.pdbqt | data/3B/3BCR-AZZ/3BCR-AZZ_target.pdbqt | data/3B/3BCR-AZZ/3BCR-AZZ_decoys.pdbqt | data/3B/3BCR-AZZ/3BCR-AZZ_decoy_scores.csv |
3B3N-JI2 | data/3B/3B3N-JI2/3B3N-JI2_ligand.pdbqt | data/3B/3B3N-JI2/3B3N-JI2_target.pdbqt | data/3B/3B3N-JI2/3B3N-JI2_decoys.pdbqt | data/3B/3B3N-JI2/3B3N-JI2_decoy_scores.csv |
3BYS-AM5 | data/3B/3BYS-AM5/3BYS-AM5_ligand.pdbqt | data/3B/3BYS-AM5/3BYS-AM5_target.pdbqt | data/3B/3BYS-AM5/3BYS-AM5_decoys.pdbqt | data/3B/3BYS-AM5/3BYS-AM5_decoy_scores.csv |
3BHM-AHE | data/3B/3BHM-AHE/3BHM-AHE_ligand.pdbqt | data/3B/3BHM-AHE/3BHM-AHE_target.pdbqt | data/3B/3BHM-AHE/3BHM-AHE_decoys.pdbqt | data/3B/3BHM-AHE/3BHM-AHE_decoy_scores.csv |
3BZ9-ADP | data/3B/3BZ9-ADP/3BZ9-ADP_ligand.pdbqt | data/3B/3BZ9-ADP/3BZ9-ADP_target.pdbqt | null | null |
3BK2-U5P | data/3B/3BK2-U5P/3BK2-U5P_ligand.pdbqt | data/3B/3BK2-U5P/3BK2-U5P_target.pdbqt | data/3B/3BK2-U5P/3BK2-U5P_decoys.pdbqt | data/3B/3BK2-U5P/3BK2-U5P_decoy_scores.csv |
3BFB-9OD | data/3B/3BFB-9OD/3BFB-9OD_ligand.pdbqt | data/3B/3BFB-9OD/3BFB-9OD_target.pdbqt | data/3B/3BFB-9OD/3BFB-9OD_decoys.pdbqt | data/3B/3BFB-9OD/3BFB-9OD_decoy_scores.csv |
3BXG-BG6 | data/3B/3BXG-BG6/3BXG-BG6_ligand.pdbqt | data/3B/3BXG-BG6/3BXG-BG6_target.pdbqt | data/3B/3BXG-BG6/3BXG-BG6_decoys.pdbqt | data/3B/3BXG-BG6/3BXG-BG6_decoy_scores.csv |
3BXF-13P | data/3B/3BXF-13P/3BXF-13P_ligand.pdbqt | data/3B/3BXF-13P/3BXF-13P_target.pdbqt | data/3B/3BXF-13P/3BXF-13P_decoys.pdbqt | data/3B/3BXF-13P/3BXF-13P_decoy_scores.csv |
3B3P-JI7 | data/3B/3B3P-JI7/3B3P-JI7_ligand.pdbqt | data/3B/3B3P-JI7/3B3P-JI7_target.pdbqt | data/3B/3B3P-JI7/3B3P-JI7_decoys.pdbqt | data/3B/3B3P-JI7/3B3P-JI7_decoy_scores.csv |
3BFP-FLC | data/3B/3BFP-FLC/3BFP-FLC_ligand.pdbqt | data/3B/3BFP-FLC/3BFP-FLC_target.pdbqt | data/3B/3BFP-FLC/3BFP-FLC_decoys.pdbqt | data/3B/3BFP-FLC/3BFP-FLC_decoy_scores.csv |
3BCX-BEN | data/3B/3BCX-BEN/3BCX-BEN_ligand.pdbqt | data/3B/3BCX-BEN/3BCX-BEN_target.pdbqt | data/3B/3BCX-BEN/3BCX-BEN_decoys.pdbqt | data/3B/3BCX-BEN/3BCX-BEN_decoy_scores.csv |
3B3O-JI3 | data/3B/3B3O-JI3/3B3O-JI3_ligand.pdbqt | data/3B/3B3O-JI3/3B3O-JI3_target.pdbqt | data/3B/3B3O-JI3/3B3O-JI3_decoys.pdbqt | data/3B/3B3O-JI3/3B3O-JI3_decoy_scores.csv |
3BYU-AM6 | data/3B/3BYU-AM6/3BYU-AM6_ligand.pdbqt | data/3B/3BYU-AM6/3BYU-AM6_target.pdbqt | data/3B/3BYU-AM6/3BYU-AM6_decoys.pdbqt | data/3B/3BYU-AM6/3BYU-AM6_decoy_scores.csv |
3BEO-UD1 | data/3B/3BEO-UD1/3BEO-UD1_ligand.pdbqt | data/3B/3BEO-UD1/3BEO-UD1_target.pdbqt | data/3B/3BEO-UD1/3BEO-UD1_decoys.pdbqt | data/3B/3BEO-UD1/3BEO-UD1_decoy_scores.csv |
3BPW-XMP | data/3B/3BPW-XMP/3BPW-XMP_ligand.pdbqt | data/3B/3BPW-XMP/3BPW-XMP_target.pdbqt | data/3B/3BPW-XMP/3BPW-XMP_decoys.pdbqt | data/3B/3BPW-XMP/3BPW-XMP_decoy_scores.csv |
3B1R-AMP | data/3B/3B1R-AMP/3B1R-AMP_ligand.pdbqt | data/3B/3B1R-AMP/3B1R-AMP_target.pdbqt | data/3B/3B1R-AMP/3B1R-AMP_decoys.pdbqt | data/3B/3B1R-AMP/3B1R-AMP_decoy_scores.csv |
3B27-B2T | data/3B/3B27-B2T/3B27-B2T_ligand.pdbqt | data/3B/3B27-B2T/3B27-B2T_target.pdbqt | data/3B/3B27-B2T/3B27-B2T_decoys.pdbqt | data/3B/3B27-B2T/3B27-B2T_decoy_scores.csv |
3BX5-304 | data/3B/3BX5-304/3BX5-304_ligand.pdbqt | data/3B/3BX5-304/3BX5-304_target.pdbqt | data/3B/3BX5-304/3BX5-304_decoys.pdbqt | data/3B/3BX5-304/3BX5-304_decoy_scores.csv |
3BNU-SPZ | data/3B/3BNU-SPZ/3BNU-SPZ_ligand.pdbqt | data/3B/3BNU-SPZ/3BNU-SPZ_target.pdbqt | data/3B/3BNU-SPZ/3BNU-SPZ_decoys.pdbqt | data/3B/3BNU-SPZ/3BNU-SPZ_decoy_scores.csv |
3B20-NAD | data/3B/3B20-NAD/3B20-NAD_ligand.pdbqt | data/3B/3B20-NAD/3B20-NAD_target.pdbqt | data/3B/3B20-NAD/3B20-NAD_decoys.pdbqt | data/3B/3B20-NAD/3B20-NAD_decoy_scores.csv |
3B6M-FMN | data/3B/3B6M-FMN/3B6M-FMN_ligand.pdbqt | data/3B/3B6M-FMN/3B6M-FMN_target.pdbqt | data/3B/3B6M-FMN/3B6M-FMN_decoys.pdbqt | data/3B/3B6M-FMN/3B6M-FMN_decoy_scores.csv |
3B1N-MZR | data/3B/3B1N-MZR/3B1N-MZR_ligand.pdbqt | data/3B/3B1N-MZR/3B1N-MZR_target.pdbqt | data/3B/3B1N-MZR/3B1N-MZR_decoys.pdbqt | data/3B/3B1N-MZR/3B1N-MZR_decoy_scores.csv |
3BQD-DAY | data/3B/3BQD-DAY/3BQD-DAY_ligand.pdbqt | data/3B/3BQD-DAY/3BQD-DAY_target.pdbqt | data/3B/3BQD-DAY/3BQD-DAY_decoys.pdbqt | data/3B/3BQD-DAY/3BQD-DAY_decoy_scores.csv |
3B0T-MCZ | data/3B/3B0T-MCZ/3B0T-MCZ_ligand.pdbqt | data/3B/3B0T-MCZ/3B0T-MCZ_target.pdbqt | data/3B/3B0T-MCZ/3B0T-MCZ_decoys.pdbqt | data/3B/3B0T-MCZ/3B0T-MCZ_decoy_scores.csv |
3BAA-3BA | data/3B/3BAA-3BA/3BAA-3BA_ligand.pdbqt | data/3B/3BAA-3BA/3BAA-3BA_target.pdbqt | data/3B/3BAA-3BA/3BAA-3BA_decoys.pdbqt | data/3B/3BAA-3BA/3BAA-3BA_decoy_scores.csv |
3BRE-C2E | data/3B/3BRE-C2E/3BRE-C2E_ligand.pdbqt | data/3B/3BRE-C2E/3BRE-C2E_target.pdbqt | data/3B/3BRE-C2E/3BRE-C2E_decoys.pdbqt | data/3B/3BRE-C2E/3BRE-C2E_decoy_scores.csv |
3BZ7-ADP | data/3B/3BZ7-ADP/3BZ7-ADP_ligand.pdbqt | data/3B/3BZ7-ADP/3BZ7-ADP_target.pdbqt | null | null |
3BU4-2GP | data/3B/3BU4-2GP/3BU4-2GP_ligand.pdbqt | data/3B/3BU4-2GP/3BU4-2GP_target.pdbqt | data/3B/3BU4-2GP/3BU4-2GP_decoys.pdbqt | data/3B/3BU4-2GP/3BU4-2GP_decoy_scores.csv |
3BJP-URC | data/3B/3BJP-URC/3BJP-URC_ligand.pdbqt | data/3B/3BJP-URC/3BJP-URC_target.pdbqt | data/3B/3BJP-URC/3BJP-URC_decoys.pdbqt | data/3B/3BJP-URC/3BJP-URC_decoy_scores.csv |
3BWM-SAM | data/3B/3BWM-SAM/3BWM-SAM_ligand.pdbqt | data/3B/3BWM-SAM/3BWM-SAM_target.pdbqt | data/3B/3BWM-SAM/3BWM-SAM_decoys.pdbqt | data/3B/3BWM-SAM/3BWM-SAM_decoy_scores.csv |
3B00-16A | data/3B/3B00-16A/3B00-16A_ligand.pdbqt | data/3B/3B00-16A/3B00-16A_target.pdbqt | data/3B/3B00-16A/3B00-16A_decoys.pdbqt | data/3B/3B00-16A/3B00-16A_decoy_scores.csv |
3B7P-MTA | data/3B/3B7P-MTA/3B7P-MTA_ligand.pdbqt | data/3B/3B7P-MTA/3B7P-MTA_target.pdbqt | data/3B/3B7P-MTA/3B7P-MTA_decoys.pdbqt | data/3B/3B7P-MTA/3B7P-MTA_decoy_scores.csv |
3B2Q-AES | data/3B/3B2Q-AES/3B2Q-AES_ligand.pdbqt | data/3B/3B2Q-AES/3B2Q-AES_target.pdbqt | data/3B/3B2Q-AES/3B2Q-AES_decoys.pdbqt | data/3B/3B2Q-AES/3B2Q-AES_decoy_scores.csv |
3BHL-NDU | data/3B/3BHL-NDU/3BHL-NDU_ligand.pdbqt | data/3B/3BHL-NDU/3BHL-NDU_target.pdbqt | data/3B/3BHL-NDU/3BHL-NDU_decoys.pdbqt | data/3B/3BHL-NDU/3BHL-NDU_decoy_scores.csv |
3BUF-AEG | data/3B/3BUF-AEG/3BUF-AEG_ligand.pdbqt | data/3B/3BUF-AEG/3BUF-AEG_target.pdbqt | data/3B/3BUF-AEG/3BUF-AEG_decoys.pdbqt | data/3B/3BUF-AEG/3BUF-AEG_decoy_scores.csv |
3B24-B2J | data/3B/3B24-B2J/3B24-B2J_ligand.pdbqt | data/3B/3B24-B2J/3B24-B2J_target.pdbqt | data/3B/3B24-B2J/3B24-B2J_decoys.pdbqt | data/3B/3B24-B2J/3B24-B2J_decoy_scores.csv |
3B6U-ADP | data/3B/3B6U-ADP/3B6U-ADP_ligand.pdbqt | data/3B/3B6U-ADP/3B6U-ADP_target.pdbqt | data/3B/3B6U-ADP/3B6U-ADP_decoys.pdbqt | data/3B/3B6U-ADP/3B6U-ADP_decoy_scores.csv |
3BMY-CXZ | data/3B/3BMY-CXZ/3BMY-CXZ_ligand.pdbqt | data/3B/3BMY-CXZ/3BMY-CXZ_target.pdbqt | data/3B/3BMY-CXZ/3BMY-CXZ_decoys.pdbqt | data/3B/3BMY-CXZ/3BMY-CXZ_decoy_scores.csv |
3BGJ-U5P | data/3B/3BGJ-U5P/3BGJ-U5P_ligand.pdbqt | data/3B/3BGJ-U5P/3BGJ-U5P_target.pdbqt | data/3B/3BGJ-U5P/3BGJ-U5P_decoys.pdbqt | data/3B/3BGJ-U5P/3BGJ-U5P_decoy_scores.csv |
3BGI-SAH | data/3B/3BGI-SAH/3BGI-SAH_ligand.pdbqt | data/3B/3BGI-SAH/3BGI-SAH_target.pdbqt | data/3B/3BGI-SAH/3BGI-SAH_decoys.pdbqt | data/3B/3BGI-SAH/3BGI-SAH_decoy_scores.csv |
3BVJ-XMP | data/3B/3BVJ-XMP/3BVJ-XMP_ligand.pdbqt | data/3B/3BVJ-XMP/3BVJ-XMP_target.pdbqt | data/3B/3BVJ-XMP/3BVJ-XMP_decoys.pdbqt | data/3B/3BVJ-XMP/3BVJ-XMP_decoy_scores.csv |
3B2J-PLM | data/3B/3B2J-PLM/3B2J-PLM_ligand.pdbqt | data/3B/3B2J-PLM/3B2J-PLM_target.pdbqt | data/3B/3B2J-PLM/3B2J-PLM_decoys.pdbqt | data/3B/3B2J-PLM/3B2J-PLM_decoy_scores.csv |
3BEO-UDP | data/3B/3BEO-UDP/3BEO-UDP_ligand.pdbqt | data/3B/3BEO-UDP/3BEO-UDP_target.pdbqt | data/3B/3BEO-UDP/3BEO-UDP_decoys.pdbqt | data/3B/3BEO-UDP/3BEO-UDP_decoy_scores.csv |
3BEJ-MUF | data/3B/3BEJ-MUF/3BEJ-MUF_ligand.pdbqt | data/3B/3BEJ-MUF/3BEJ-MUF_target.pdbqt | null | null |
3BGZ-VX3 | data/3B/3BGZ-VX3/3BGZ-VX3_ligand.pdbqt | data/3B/3BGZ-VX3/3BGZ-VX3_target.pdbqt | data/3B/3BGZ-VX3/3BGZ-VX3_decoys.pdbqt | data/3B/3BGZ-VX3/3BGZ-VX3_decoy_scores.csv |
3BWY-SAM | data/3B/3BWY-SAM/3BWY-SAM_ligand.pdbqt | data/3B/3BWY-SAM/3BWY-SAM_target.pdbqt | data/3B/3BWY-SAM/3BWY-SAM_decoys.pdbqt | data/3B/3BWY-SAM/3BWY-SAM_decoy_scores.csv |
3BVB-017 | data/3B/3BVB-017/3BVB-017_ligand.pdbqt | data/3B/3BVB-017/3BVB-017_target.pdbqt | data/3B/3BVB-017/3BVB-017_decoys.pdbqt | data/3B/3BVB-017/3BVB-017_decoy_scores.csv |
3B1N-ADP | data/3B/3B1N-ADP/3B1N-ADP_ligand.pdbqt | data/3B/3B1N-ADP/3B1N-ADP_target.pdbqt | data/3B/3B1N-ADP/3B1N-ADP_decoys.pdbqt | data/3B/3B1N-ADP/3B1N-ADP_decoy_scores.csv |
3BO5-SAH | data/3B/3BO5-SAH/3BO5-SAH_ligand.pdbqt | data/3B/3BO5-SAH/3BO5-SAH_target.pdbqt | data/3B/3BO5-SAH/3BO5-SAH_decoys.pdbqt | data/3B/3BO5-SAH/3BO5-SAH_decoy_scores.csv |
3BIZ-61E | data/3B/3BIZ-61E/3BIZ-61E_ligand.pdbqt | data/3B/3BIZ-61E/3BIZ-61E_target.pdbqt | data/3B/3BIZ-61E/3BIZ-61E_decoys.pdbqt | data/3B/3BIZ-61E/3BIZ-61E_decoy_scores.csv |
3BQN-BQN | data/3B/3BQN-BQN/3BQN-BQN_ligand.pdbqt | data/3B/3BQN-BQN/3BQN-BQN_target.pdbqt | data/3B/3BQN-BQN/3BQN-BQN_decoys.pdbqt | data/3B/3BQN-BQN/3BQN-BQN_decoy_scores.csv |
3BQM-BQM | data/3B/3BQM-BQM/3BQM-BQM_ligand.pdbqt | data/3B/3BQM-BQM/3BQM-BQM_target.pdbqt | data/3B/3BQM-BQM/3BQM-BQM_decoys.pdbqt | data/3B/3BQM-BQM/3BQM-BQM_decoy_scores.csv |
3BZ9-BL7 | data/3B/3BZ9-BL7/3BZ9-BL7_ligand.pdbqt | data/3B/3BZ9-BL7/3BZ9-BL7_target.pdbqt | null | null |
3B69-BFN | data/3B/3B69-BFN/3B69-BFN_ligand.pdbqt | data/3B/3B69-BFN/3B69-BFN_target.pdbqt | data/3B/3B69-BFN/3B69-BFN_decoys.pdbqt | data/3B/3B69-BFN/3B69-BFN_decoy_scores.csv |
3B28-B2X | data/3B/3B28-B2X/3B28-B2X_ligand.pdbqt | data/3B/3B28-B2X/3B28-B2X_target.pdbqt | data/3B/3B28-B2X/3B28-B2X_decoys.pdbqt | data/3B/3B28-B2X/3B28-B2X_decoy_scores.csv |
3BK9-TRP | data/3B/3BK9-TRP/3BK9-TRP_ligand.pdbqt | data/3B/3BK9-TRP/3BK9-TRP_target.pdbqt | data/3B/3BK9-TRP/3BK9-TRP_decoys.pdbqt | data/3B/3BK9-TRP/3BK9-TRP_decoy_scores.csv |
3B3P-H4B | data/3B/3B3P-H4B/3B3P-H4B_ligand.pdbqt | data/3B/3B3P-H4B/3B3P-H4B_target.pdbqt | data/3B/3B3P-H4B/3B3P-H4B_decoys.pdbqt | data/3B/3B3P-H4B/3B3P-H4B_decoy_scores.csv |
3BWK-C1P | data/3B/3BWK-C1P/3BWK-C1P_ligand.pdbqt | data/3B/3BWK-C1P/3BWK-C1P_target.pdbqt | data/3B/3BWK-C1P/3BWK-C1P_decoys.pdbqt | data/3B/3BWK-C1P/3BWK-C1P_decoy_scores.csv |
3BLB-SWA | data/3B/3BLB-SWA/3BLB-SWA_ligand.pdbqt | data/3B/3BLB-SWA/3BLB-SWA_target.pdbqt | data/3B/3BLB-SWA/3BLB-SWA_decoys.pdbqt | data/3B/3BLB-SWA/3BLB-SWA_decoy_scores.csv |
3BLO-QEI | data/3B/3BLO-QEI/3BLO-QEI_ligand.pdbqt | data/3B/3BLO-QEI/3BLO-QEI_target.pdbqt | data/3B/3BLO-QEI/3BLO-QEI_decoys.pdbqt | data/3B/3BLO-QEI/3BLO-QEI_decoy_scores.csv |
3B7G-ANP | data/3B/3B7G-ANP/3B7G-ANP_ligand.pdbqt | data/3B/3B7G-ANP/3B7G-ANP_target.pdbqt | data/3B/3B7G-ANP/3B7G-ANP_decoys.pdbqt | data/3B/3B7G-ANP/3B7G-ANP_decoy_scores.csv |
3B6J-NAD | data/3B/3B6J-NAD/3B6J-NAD_ligand.pdbqt | data/3B/3B6J-NAD/3B6J-NAD_target.pdbqt | data/3B/3B6J-NAD/3B6J-NAD_decoys.pdbqt | data/3B/3B6J-NAD/3B6J-NAD_decoy_scores.csv |
3BUG-AEH | data/3B/3BUG-AEH/3BUG-AEH_ligand.pdbqt | data/3B/3BUG-AEH/3BUG-AEH_target.pdbqt | data/3B/3BUG-AEH/3BUG-AEH_decoys.pdbqt | data/3B/3BUG-AEH/3BUG-AEH_decoy_scores.csv |
3B8Z-294 | data/3B/3B8Z-294/3B8Z-294_ligand.pdbqt | data/3B/3B8Z-294/3B8Z-294_target.pdbqt | data/3B/3B8Z-294/3B8Z-294_decoys.pdbqt | data/3B/3B8Z-294/3B8Z-294_decoy_scores.csv |
3BR9-DEY | data/3B/3BR9-DEY/3BR9-DEY_ligand.pdbqt | data/3B/3BR9-DEY/3BR9-DEY_target.pdbqt | data/3B/3BR9-DEY/3BR9-DEY_decoys.pdbqt | data/3B/3BR9-DEY/3BR9-DEY_decoy_scores.csv |
3BMX-P4G | data/3B/3BMX-P4G/3BMX-P4G_ligand.pdbqt | data/3B/3BMX-P4G/3BMX-P4G_target.pdbqt | data/3B/3BMX-P4G/3BMX-P4G_decoys.pdbqt | data/3B/3BMX-P4G/3BMX-P4G_decoy_scores.csv |
3BUH-AED | data/3B/3BUH-AED/3BUH-AED_ligand.pdbqt | data/3B/3BUH-AED/3BUH-AED_target.pdbqt | data/3B/3BUH-AED/3BUH-AED_decoys.pdbqt | data/3B/3BUH-AED/3BUH-AED_decoy_scores.csv |
3BKB-STU | data/3B/3BKB-STU/3BKB-STU_ligand.pdbqt | data/3B/3BKB-STU/3BKB-STU_target.pdbqt | data/3B/3BKB-STU/3BKB-STU_decoys.pdbqt | data/3B/3BKB-STU/3BKB-STU_decoy_scores.csv |
3BXE-13P | data/3B/3BXE-13P/3BXE-13P_ligand.pdbqt | data/3B/3BXE-13P/3BXE-13P_target.pdbqt | data/3B/3BXE-13P/3BXE-13P_decoys.pdbqt | data/3B/3BXE-13P/3BXE-13P_decoy_scores.csv |
3BU5-ATP | data/3B/3BU5-ATP/3BU5-ATP_ligand.pdbqt | data/3B/3BU5-ATP/3BU5-ATP_target.pdbqt | data/3B/3BU5-ATP/3BU5-ATP_decoys.pdbqt | data/3B/3BU5-ATP/3BU5-ATP_decoy_scores.csv |
3BGG-BMP | data/3B/3BGG-BMP/3BGG-BMP_ligand.pdbqt | data/3B/3BGG-BMP/3BGG-BMP_target.pdbqt | data/3B/3BGG-BMP/3BGG-BMP_decoys.pdbqt | data/3B/3BGG-BMP/3BGG-BMP_decoy_scores.csv |
3B4W-NAD | data/3B/3B4W-NAD/3B4W-NAD_ligand.pdbqt | data/3B/3B4W-NAD/3B4W-NAD_target.pdbqt | data/3B/3B4W-NAD/3B4W-NAD_decoys.pdbqt | data/3B/3B4W-NAD/3B4W-NAD_decoy_scores.csv |
3B50-SLB | data/3B/3B50-SLB/3B50-SLB_ligand.pdbqt | data/3B/3B50-SLB/3B50-SLB_target.pdbqt | data/3B/3B50-SLB/3B50-SLB_decoys.pdbqt | data/3B/3B50-SLB/3B50-SLB_decoy_scores.csv |
3BA9-3B9 | data/3B/3BA9-3B9/3BA9-3B9_ligand.pdbqt | data/3B/3BA9-3B9/3BA9-3B9_target.pdbqt | data/3B/3BA9-3B9/3BA9-3B9_decoys.pdbqt | data/3B/3BA9-3B9/3BA9-3B9_decoy_scores.csv |
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