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 ⌀ |
|---|---|---|---|---|
3GLV-AMP | data/3G/3GLV-AMP/3GLV-AMP_ligand.pdbqt | data/3G/3GLV-AMP/3GLV-AMP_target.pdbqt | data/3G/3GLV-AMP/3GLV-AMP_decoys.pdbqt | data/3G/3GLV-AMP/3GLV-AMP_decoy_scores.csv |
3GP5-3PG | data/3G/3GP5-3PG/3GP5-3PG_ligand.pdbqt | data/3G/3GP5-3PG/3GP5-3PG_target.pdbqt | null | null |
3GK0-DXP | data/3G/3GK0-DXP/3GK0-DXP_ligand.pdbqt | data/3G/3GK0-DXP/3GK0-DXP_target.pdbqt | data/3G/3GK0-DXP/3GK0-DXP_decoys.pdbqt | data/3G/3GK0-DXP/3GK0-DXP_decoy_scores.csv |
3G0W-LGB | data/3G/3G0W-LGB/3G0W-LGB_ligand.pdbqt | data/3G/3G0W-LGB/3G0W-LGB_target.pdbqt | data/3G/3G0W-LGB/3G0W-LGB_decoys.pdbqt | data/3G/3G0W-LGB/3G0W-LGB_decoy_scores.csv |
3GOB-HXX | data/3G/3GOB-HXX/3GOB-HXX_ligand.pdbqt | data/3G/3GOB-HXX/3GOB-HXX_target.pdbqt | data/3G/3GOB-HXX/3GOB-HXX_decoys.pdbqt | data/3G/3GOB-HXX/3GOB-HXX_decoy_scores.csv |
3GBG-PAM | data/3G/3GBG-PAM/3GBG-PAM_ligand.pdbqt | data/3G/3GBG-PAM/3GBG-PAM_target.pdbqt | data/3G/3GBG-PAM/3GBG-PAM_decoys.pdbqt | data/3G/3GBG-PAM/3GBG-PAM_decoy_scores.csv |
3GCD-AZ0 | data/3G/3GCD-AZ0/3GCD-AZ0_ligand.pdbqt | data/3G/3GCD-AZ0/3GCD-AZ0_target.pdbqt | data/3G/3GCD-AZ0/3GCD-AZ0_decoys.pdbqt | data/3G/3GCD-AZ0/3GCD-AZ0_decoy_scores.csv |
3GR4-ADP | data/3G/3GR4-ADP/3GR4-ADP_ligand.pdbqt | data/3G/3GR4-ADP/3GR4-ADP_target.pdbqt | data/3G/3GR4-ADP/3GR4-ADP_decoys.pdbqt | data/3G/3GR4-ADP/3GR4-ADP_decoy_scores.csv |
3GB9-A2F | data/3G/3GB9-A2F/3GB9-A2F_ligand.pdbqt | data/3G/3GB9-A2F/3GB9-A2F_target.pdbqt | data/3G/3GB9-A2F/3GB9-A2F_decoys.pdbqt | data/3G/3GB9-A2F/3GB9-A2F_decoy_scores.csv |
3G2L-LEW | data/3G/3G2L-LEW/3G2L-LEW_ligand.pdbqt | data/3G/3G2L-LEW/3G2L-LEW_target.pdbqt | data/3G/3G2L-LEW/3G2L-LEW_decoys.pdbqt | data/3G/3G2L-LEW/3G2L-LEW_decoy_scores.csv |
3GUB-GUB | data/3G/3GUB-GUB/3GUB-GUB_ligand.pdbqt | data/3G/3GUB-GUB/3GUB-GUB_target.pdbqt | data/3G/3GUB-GUB/3GUB-GUB_decoys.pdbqt | data/3G/3GUB-GUB/3GUB-GUB_decoy_scores.csv |
3GP9-GDP | data/3G/3GP9-GDP/3GP9-GDP_ligand.pdbqt | data/3G/3GP9-GDP/3GP9-GDP_target.pdbqt | data/3G/3GP9-GDP/3GP9-GDP_decoys.pdbqt | data/3G/3GP9-GDP/3GP9-GDP_decoy_scores.csv |
3GB4-D3M | data/3G/3GB4-D3M/3GB4-D3M_ligand.pdbqt | data/3G/3GB4-D3M/3GB4-D3M_target.pdbqt | data/3G/3GB4-D3M/3GB4-D3M_decoys.pdbqt | data/3G/3GB4-D3M/3GB4-D3M_decoy_scores.csv |
3GF4-U5P | data/3G/3GF4-U5P/3GF4-U5P_ligand.pdbqt | data/3G/3GF4-U5P/3GF4-U5P_target.pdbqt | data/3G/3GF4-U5P/3GF4-U5P_decoys.pdbqt | data/3G/3GF4-U5P/3GF4-U5P_decoy_scores.csv |
3GC0-AMP | data/3G/3GC0-AMP/3GC0-AMP_ligand.pdbqt | data/3G/3GC0-AMP/3GC0-AMP_target.pdbqt | data/3G/3GC0-AMP/3GC0-AMP_decoys.pdbqt | data/3G/3GC0-AMP/3GC0-AMP_decoy_scores.csv |
3G5A-APC | data/3G/3G5A-APC/3G5A-APC_ligand.pdbqt | data/3G/3G5A-APC/3G5A-APC_target.pdbqt | data/3G/3G5A-APC/3G5A-APC_decoys.pdbqt | data/3G/3G5A-APC/3G5A-APC_decoy_scores.csv |
3GFZ-C2E | data/3G/3GFZ-C2E/3GFZ-C2E_ligand.pdbqt | data/3G/3GFZ-C2E/3GFZ-C2E_target.pdbqt | data/3G/3GFZ-C2E/3GFZ-C2E_decoys.pdbqt | data/3G/3GFZ-C2E/3GFZ-C2E_decoy_scores.csv |
3G24-UP6 | data/3G/3G24-UP6/3G24-UP6_ligand.pdbqt | data/3G/3G24-UP6/3G24-UP6_target.pdbqt | data/3G/3G24-UP6/3G24-UP6_decoys.pdbqt | data/3G/3G24-UP6/3G24-UP6_decoy_scores.csv |
3GO6-RIB | data/3G/3GO6-RIB/3GO6-RIB_ligand.pdbqt | data/3G/3GO6-RIB/3GO6-RIB_target.pdbqt | data/3G/3GO6-RIB/3GO6-RIB_decoys.pdbqt | data/3G/3GO6-RIB/3GO6-RIB_decoy_scores.csv |
3GJW-GJW | data/3G/3GJW-GJW/3GJW-GJW_ligand.pdbqt | data/3G/3GJW-GJW/3GJW-GJW_target.pdbqt | data/3G/3GJW-GJW/3GJW-GJW_decoys.pdbqt | data/3G/3GJW-GJW/3GJW-GJW_decoy_scores.csv |
3GLZ-1BD | data/3G/3GLZ-1BD/3GLZ-1BD_ligand.pdbqt | data/3G/3GLZ-1BD/3GLZ-1BD_target.pdbqt | data/3G/3GLZ-1BD/3GLZ-1BD_decoys.pdbqt | data/3G/3GLZ-1BD/3GLZ-1BD_decoy_scores.csv |
3GWX-EPA | data/3G/3GWX-EPA/3GWX-EPA_ligand.pdbqt | data/3G/3GWX-EPA/3GWX-EPA_target.pdbqt | data/3G/3GWX-EPA/3GWX-EPA_decoys.pdbqt | data/3G/3GWX-EPA/3GWX-EPA_decoy_scores.csv |
3G7F-UQ1 | data/3G/3G7F-UQ1/3G7F-UQ1_ligand.pdbqt | data/3G/3G7F-UQ1/3G7F-UQ1_target.pdbqt | data/3G/3G7F-UQ1/3G7F-UQ1_decoys.pdbqt | data/3G/3G7F-UQ1/3G7F-UQ1_decoy_scores.csv |
3GCU-R48 | data/3G/3GCU-R48/3GCU-R48_ligand.pdbqt | data/3G/3GCU-R48/3GCU-R48_target.pdbqt | data/3G/3GCU-R48/3GCU-R48_decoys.pdbqt | data/3G/3GCU-R48/3GCU-R48_decoy_scores.csv |
3GXF-IFM | data/3G/3GXF-IFM/3GXF-IFM_ligand.pdbqt | data/3G/3GXF-IFM/3GXF-IFM_target.pdbqt | data/3G/3GXF-IFM/3GXF-IFM_decoys.pdbqt | data/3G/3GXF-IFM/3GXF-IFM_decoy_scores.csv |
3G4K-ROL | data/3G/3G4K-ROL/3G4K-ROL_ligand.pdbqt | data/3G/3G4K-ROL/3G4K-ROL_target.pdbqt | data/3G/3G4K-ROL/3G4K-ROL_decoys.pdbqt | data/3G/3G4K-ROL/3G4K-ROL_decoy_scores.csv |
3G2K-SKY | data/3G/3G2K-SKY/3G2K-SKY_ligand.pdbqt | data/3G/3G2K-SKY/3G2K-SKY_target.pdbqt | data/3G/3G2K-SKY/3G2K-SKY_decoys.pdbqt | data/3G/3G2K-SKY/3G2K-SKY_decoy_scores.csv |
3GT3-BRV | data/3G/3GT3-BRV/3GT3-BRV_ligand.pdbqt | data/3G/3GT3-BRV/3GT3-BRV_target.pdbqt | data/3G/3GT3-BRV/3GT3-BRV_decoys.pdbqt | data/3G/3GT3-BRV/3GT3-BRV_decoy_scores.csv |
3GFS-FMN | data/3G/3GFS-FMN/3GFS-FMN_ligand.pdbqt | data/3G/3GFS-FMN/3GFS-FMN_target.pdbqt | data/3G/3GFS-FMN/3GFS-FMN_decoys.pdbqt | data/3G/3GFS-FMN/3GFS-FMN_decoy_scores.csv |
3GJ0-GDP | data/3G/3GJ0-GDP/3GJ0-GDP_ligand.pdbqt | data/3G/3GJ0-GDP/3GJ0-GDP_target.pdbqt | data/3G/3GJ0-GDP/3GJ0-GDP_decoys.pdbqt | data/3G/3GJ0-GDP/3GJ0-GDP_decoy_scores.csv |
3GU4-ANP | data/3G/3GU4-ANP/3GU4-ANP_ligand.pdbqt | data/3G/3GU4-ANP/3GU4-ANP_target.pdbqt | data/3G/3GU4-ANP/3GU4-ANP_decoys.pdbqt | data/3G/3GU4-ANP/3GU4-ANP_decoy_scores.csv |
3G5T-T8N | data/3G/3G5T-T8N/3G5T-T8N_ligand.pdbqt | data/3G/3G5T-T8N/3G5T-T8N_target.pdbqt | data/3G/3G5T-T8N/3G5T-T8N_decoys.pdbqt | data/3G/3G5T-T8N/3G5T-T8N_decoy_scores.csv |
3GSG-GF1 | data/3G/3GSG-GF1/3GSG-GF1_ligand.pdbqt | data/3G/3GSG-GF1/3GSG-GF1_target.pdbqt | data/3G/3GSG-GF1/3GSG-GF1_decoys.pdbqt | data/3G/3GSG-GF1/3GSG-GF1_decoy_scores.csv |
3G1A-UP6 | data/3G/3G1A-UP6/3G1A-UP6_ligand.pdbqt | data/3G/3G1A-UP6/3G1A-UP6_target.pdbqt | data/3G/3G1A-UP6/3G1A-UP6_decoys.pdbqt | data/3G/3G1A-UP6/3G1A-UP6_decoy_scores.csv |
3GFA-FMN | data/3G/3GFA-FMN/3GFA-FMN_ligand.pdbqt | data/3G/3GFA-FMN/3GFA-FMN_target.pdbqt | data/3G/3GFA-FMN/3GFA-FMN_decoys.pdbqt | data/3G/3GFA-FMN/3GFA-FMN_decoy_scores.csv |
3GBB-MS8 | data/3G/3GBB-MS8/3GBB-MS8_ligand.pdbqt | data/3G/3GBB-MS8/3GBB-MS8_target.pdbqt | data/3G/3GBB-MS8/3GBB-MS8_decoys.pdbqt | data/3G/3GBB-MS8/3GBB-MS8_decoy_scores.csv |
3G4C-UMP | data/3G/3G4C-UMP/3G4C-UMP_ligand.pdbqt | data/3G/3G4C-UMP/3G4C-UMP_target.pdbqt | data/3G/3G4C-UMP/3G4C-UMP_decoys.pdbqt | data/3G/3G4C-UMP/3G4C-UMP_decoy_scores.csv |
3G3W-MTN | data/3G/3G3W-MTN/3G3W-MTN_ligand.pdbqt | data/3G/3G3W-MTN/3G3W-MTN_target.pdbqt | data/3G/3G3W-MTN/3G3W-MTN_decoys.pdbqt | data/3G/3G3W-MTN/3G3W-MTN_decoy_scores.csv |
3GBE-NOJ | data/3G/3GBE-NOJ/3GBE-NOJ_ligand.pdbqt | data/3G/3GBE-NOJ/3GBE-NOJ_target.pdbqt | data/3G/3GBE-NOJ/3GBE-NOJ_decoys.pdbqt | data/3G/3GBE-NOJ/3GBE-NOJ_decoy_scores.csv |
3G3K-GLU | data/3G/3G3K-GLU/3G3K-GLU_ligand.pdbqt | data/3G/3G3K-GLU/3G3K-GLU_target.pdbqt | data/3G/3G3K-GLU/3G3K-GLU_decoys.pdbqt | data/3G/3G3K-GLU/3G3K-GLU_decoy_scores.csv |
3G7F-LDA | data/3G/3G7F-LDA/3G7F-LDA_ligand.pdbqt | data/3G/3G7F-LDA/3G7F-LDA_target.pdbqt | data/3G/3G7F-LDA/3G7F-LDA_decoys.pdbqt | data/3G/3G7F-LDA/3G7F-LDA_decoy_scores.csv |
3GHV-GHC | data/3G/3GHV-GHC/3GHV-GHC_ligand.pdbqt | data/3G/3GHV-GHC/3GHV-GHC_target.pdbqt | data/3G/3GHV-GHC/3GHV-GHC_decoys.pdbqt | data/3G/3GHV-GHC/3GHV-GHC_decoy_scores.csv |
3G15-ADP | data/3G/3G15-ADP/3G15-ADP_ligand.pdbqt | data/3G/3G15-ADP/3G15-ADP_target.pdbqt | data/3G/3G15-ADP/3G15-ADP_decoys.pdbqt | data/3G/3G15-ADP/3G15-ADP_decoy_scores.csv |
3GZ9-B7G | data/3G/3GZ9-B7G/3GZ9-B7G_ligand.pdbqt | data/3G/3GZ9-B7G/3GZ9-B7G_target.pdbqt | data/3G/3GZ9-B7G/3GZ9-B7G_decoys.pdbqt | data/3G/3GZ9-B7G/3GZ9-B7G_decoy_scores.csv |
3GDQ-ADP | data/3G/3GDQ-ADP/3GDQ-ADP_ligand.pdbqt | data/3G/3GDQ-ADP/3GDQ-ADP_target.pdbqt | data/3G/3GDQ-ADP/3GDQ-ADP_decoys.pdbqt | data/3G/3GDQ-ADP/3GDQ-ADP_decoy_scores.csv |
3GPT-GPT | data/3G/3GPT-GPT/3GPT-GPT_ligand.pdbqt | data/3G/3GPT-GPT/3GPT-GPT_target.pdbqt | data/3G/3GPT-GPT/3GPT-GPT_decoys.pdbqt | data/3G/3GPT-GPT/3GPT-GPT_decoy_scores.csv |
3GFD-IYR | data/3G/3GFD-IYR/3GFD-IYR_ligand.pdbqt | data/3G/3GFD-IYR/3GFD-IYR_target.pdbqt | data/3G/3GFD-IYR/3GFD-IYR_decoys.pdbqt | data/3G/3GFD-IYR/3GFD-IYR_decoy_scores.csv |
3GRJ-G14 | data/3G/3GRJ-G14/3GRJ-G14_ligand.pdbqt | data/3G/3GRJ-G14/3GRJ-G14_target.pdbqt | data/3G/3GRJ-G14/3GRJ-G14_decoys.pdbqt | data/3G/3GRJ-G14/3GRJ-G14_decoy_scores.csv |
3G3R-ANP | data/3G/3G3R-ANP/3G3R-ANP_ligand.pdbqt | data/3G/3G3R-ANP/3G3R-ANP_target.pdbqt | data/3G/3G3R-ANP/3G3R-ANP_decoys.pdbqt | data/3G/3G3R-ANP/3G3R-ANP_decoy_scores.csv |
3GRU-AMP | data/3G/3GRU-AMP/3GRU-AMP_ligand.pdbqt | data/3G/3GRU-AMP/3GRU-AMP_target.pdbqt | data/3G/3GRU-AMP/3GRU-AMP_decoys.pdbqt | data/3G/3GRU-AMP/3GRU-AMP_decoy_scores.csv |
3GR7-FMN | data/3G/3GR7-FMN/3GR7-FMN_ligand.pdbqt | data/3G/3GR7-FMN/3GR7-FMN_target.pdbqt | data/3G/3GR7-FMN/3GR7-FMN_decoys.pdbqt | data/3G/3GR7-FMN/3GR7-FMN_decoy_scores.csv |
3GVH-NAD | data/3G/3GVH-NAD/3GVH-NAD_ligand.pdbqt | data/3G/3GVH-NAD/3GVH-NAD_target.pdbqt | data/3G/3GVH-NAD/3GVH-NAD_decoys.pdbqt | data/3G/3GVH-NAD/3GVH-NAD_decoy_scores.csv |
3GX9-TXD | data/3G/3GX9-TXD/3GX9-TXD_ligand.pdbqt | data/3G/3GX9-TXD/3GX9-TXD_target.pdbqt | data/3G/3GX9-TXD/3GX9-TXD_decoys.pdbqt | data/3G/3GX9-TXD/3GX9-TXD_decoy_scores.csv |
3GWO-JEF | data/3G/3GWO-JEF/3GWO-JEF_ligand.pdbqt | data/3G/3GWO-JEF/3GWO-JEF_target.pdbqt | data/3G/3GWO-JEF/3GWO-JEF_decoys.pdbqt | data/3G/3GWO-JEF/3GWO-JEF_decoy_scores.csv |
3GY4-PBZ | data/3G/3GY4-PBZ/3GY4-PBZ_ligand.pdbqt | data/3G/3GY4-PBZ/3GY4-PBZ_target.pdbqt | data/3G/3GY4-PBZ/3GY4-PBZ_decoys.pdbqt | data/3G/3GY4-PBZ/3GY4-PBZ_decoy_scores.csv |
3GT9-516 | data/3G/3GT9-516/3GT9-516_ligand.pdbqt | data/3G/3GT9-516/3GT9-516_target.pdbqt | data/3G/3GT9-516/3GT9-516_decoys.pdbqt | data/3G/3GT9-516/3GT9-516_decoy_scores.csv |
3GAI-ATP | data/3G/3GAI-ATP/3GAI-ATP_ligand.pdbqt | data/3G/3GAI-ATP/3GAI-ATP_target.pdbqt | data/3G/3GAI-ATP/3GAI-ATP_decoys.pdbqt | data/3G/3GAI-ATP/3GAI-ATP_decoy_scores.csv |
3G1R-FIT | data/3G/3G1R-FIT/3G1R-FIT_ligand.pdbqt | data/3G/3G1R-FIT/3G1R-FIT_target.pdbqt | data/3G/3G1R-FIT/3G1R-FIT_decoys.pdbqt | data/3G/3G1R-FIT/3G1R-FIT_decoy_scores.csv |
3G8D-ADP | data/3G/3G8D-ADP/3G8D-ADP_ligand.pdbqt | data/3G/3G8D-ADP/3G8D-ADP_target.pdbqt | data/3G/3G8D-ADP/3G8D-ADP_decoys.pdbqt | data/3G/3G8D-ADP/3G8D-ADP_decoy_scores.csv |
3GU3-SAH | data/3G/3GU3-SAH/3GU3-SAH_ligand.pdbqt | data/3G/3GU3-SAH/3GU3-SAH_target.pdbqt | data/3G/3GU3-SAH/3GU3-SAH_decoys.pdbqt | data/3G/3GU3-SAH/3GU3-SAH_decoy_scores.csv |
3G1U-NAD | data/3G/3G1U-NAD/3G1U-NAD_ligand.pdbqt | data/3G/3G1U-NAD/3G1U-NAD_target.pdbqt | data/3G/3G1U-NAD/3G1U-NAD_decoys.pdbqt | data/3G/3G1U-NAD/3G1U-NAD_decoy_scores.csv |
3GMC-3HM | data/3G/3GMC-3HM/3GMC-3HM_ligand.pdbqt | data/3G/3GMC-3HM/3GMC-3HM_target.pdbqt | data/3G/3GMC-3HM/3GMC-3HM_decoys.pdbqt | data/3G/3GMC-3HM/3GMC-3HM_decoy_scores.csv |
3GG2-UGA | data/3G/3GG2-UGA/3GG2-UGA_ligand.pdbqt | data/3G/3GG2-UGA/3GG2-UGA_target.pdbqt | data/3G/3GG2-UGA/3GG2-UGA_decoys.pdbqt | data/3G/3GG2-UGA/3GG2-UGA_decoy_scores.csv |
3GQ9-NHE | data/3G/3GQ9-NHE/3GQ9-NHE_ligand.pdbqt | data/3G/3GQ9-NHE/3GQ9-NHE_target.pdbqt | data/3G/3GQ9-NHE/3GQ9-NHE_decoys.pdbqt | data/3G/3GQ9-NHE/3GQ9-NHE_decoy_scores.csv |
3G4A-UMP | data/3G/3G4A-UMP/3G4A-UMP_ligand.pdbqt | data/3G/3G4A-UMP/3G4A-UMP_target.pdbqt | data/3G/3G4A-UMP/3G4A-UMP_decoys.pdbqt | data/3G/3G4A-UMP/3G4A-UMP_decoy_scores.csv |
3GWW-SFX | data/3G/3GWW-SFX/3GWW-SFX_ligand.pdbqt | data/3G/3GWW-SFX/3GWW-SFX_target.pdbqt | data/3G/3GWW-SFX/3GWW-SFX_decoys.pdbqt | data/3G/3GWW-SFX/3GWW-SFX_decoy_scores.csv |
3G20-NHE | data/3G/3G20-NHE/3G20-NHE_ligand.pdbqt | data/3G/3G20-NHE/3G20-NHE_target.pdbqt | data/3G/3G20-NHE/3G20-NHE_decoys.pdbqt | data/3G/3G20-NHE/3G20-NHE_decoy_scores.csv |
3GWT-066 | data/3G/3GWT-066/3GWT-066_ligand.pdbqt | data/3G/3GWT-066/3GWT-066_target.pdbqt | null | null |
3G5D-1N1 | data/3G/3G5D-1N1/3G5D-1N1_ligand.pdbqt | data/3G/3G5D-1N1/3G5D-1N1_target.pdbqt | data/3G/3G5D-1N1/3G5D-1N1_decoys.pdbqt | data/3G/3G5D-1N1/3G5D-1N1_decoy_scores.csv |
3GC4-AAQ | data/3G/3GC4-AAQ/3GC4-AAQ_ligand.pdbqt | data/3G/3GC4-AAQ/3GC4-AAQ_target.pdbqt | data/3G/3GC4-AAQ/3GC4-AAQ_decoys.pdbqt | data/3G/3GC4-AAQ/3GC4-AAQ_decoy_scores.csv |
3GP3-SEP | data/3G/3GP3-SEP/3GP3-SEP_ligand.pdbqt | data/3G/3GP3-SEP/3GP3-SEP_target.pdbqt | data/3G/3GP3-SEP/3GP3-SEP_decoys.pdbqt | data/3G/3GP3-SEP/3GP3-SEP_decoy_scores.csv |
3GK6-PE4 | data/3G/3GK6-PE4/3GK6-PE4_ligand.pdbqt | data/3G/3GK6-PE4/3GK6-PE4_target.pdbqt | data/3G/3GK6-PE4/3GK6-PE4_decoys.pdbqt | data/3G/3GK6-PE4/3GK6-PE4_decoy_scores.csv |
3GS0-6BD | data/3G/3GS0-6BD/3GS0-6BD_ligand.pdbqt | data/3G/3GS0-6BD/3GS0-6BD_target.pdbqt | data/3G/3GS0-6BD/3GS0-6BD_decoys.pdbqt | data/3G/3GS0-6BD/3GS0-6BD_decoy_scores.csv |
3GHR-LDT | data/3G/3GHR-LDT/3GHR-LDT_ligand.pdbqt | data/3G/3GHR-LDT/3GHR-LDT_target.pdbqt | data/3G/3GHR-LDT/3GHR-LDT_decoys.pdbqt | data/3G/3GHR-LDT/3GHR-LDT_decoy_scores.csv |
3GSI-THG | data/3G/3GSI-THG/3GSI-THG_ligand.pdbqt | data/3G/3GSI-THG/3GSI-THG_target.pdbqt | data/3G/3GSI-THG/3GSI-THG_decoys.pdbqt | data/3G/3GSI-THG/3GSI-THG_decoy_scores.csv |
3GPB-G1P | data/3G/3GPB-G1P/3GPB-G1P_ligand.pdbqt | data/3G/3GPB-G1P/3GPB-G1P_target.pdbqt | data/3G/3GPB-G1P/3GPB-G1P_decoys.pdbqt | data/3G/3GPB-G1P/3GPB-G1P_decoy_scores.csv |
3GGO-NAI | data/3G/3GGO-NAI/3GGO-NAI_ligand.pdbqt | data/3G/3GGO-NAI/3GGO-NAI_target.pdbqt | data/3G/3GGO-NAI/3GGO-NAI_decoys.pdbqt | data/3G/3GGO-NAI/3GGO-NAI_decoy_scores.csv |
3GE5-FMN | data/3G/3GE5-FMN/3GE5-FMN_ligand.pdbqt | data/3G/3GE5-FMN/3GE5-FMN_target.pdbqt | data/3G/3GE5-FMN/3GE5-FMN_decoys.pdbqt | data/3G/3GE5-FMN/3GE5-FMN_decoy_scores.csv |
3GC7-B45 | data/3G/3GC7-B45/3GC7-B45_ligand.pdbqt | data/3G/3GC7-B45/3GC7-B45_target.pdbqt | data/3G/3GC7-B45/3GC7-B45_decoys.pdbqt | data/3G/3GC7-B45/3GC7-B45_decoy_scores.csv |
3GAM-MXX | data/3G/3GAM-MXX/3GAM-MXX_ligand.pdbqt | data/3G/3GAM-MXX/3GAM-MXX_target.pdbqt | data/3G/3GAM-MXX/3GAM-MXX_decoys.pdbqt | data/3G/3GAM-MXX/3GAM-MXX_decoy_scores.csv |
3GQI-ACP | data/3G/3GQI-ACP/3GQI-ACP_ligand.pdbqt | data/3G/3GQI-ACP/3GQI-ACP_target.pdbqt | null | null |
3GYQ-SAM | data/3G/3GYQ-SAM/3GYQ-SAM_ligand.pdbqt | data/3G/3GYQ-SAM/3GYQ-SAM_target.pdbqt | data/3G/3GYQ-SAM/3GYQ-SAM_decoys.pdbqt | data/3G/3GYQ-SAM/3GYQ-SAM_decoy_scores.csv |
3GGO-ENO | data/3G/3GGO-ENO/3GGO-ENO_ligand.pdbqt | data/3G/3GGO-ENO/3GGO-ENO_target.pdbqt | data/3G/3GGO-ENO/3GGO-ENO_decoys.pdbqt | data/3G/3GGO-ENO/3GGO-ENO_decoy_scores.csv |
3GF2-SAL | data/3G/3GF2-SAL/3GF2-SAL_ligand.pdbqt | data/3G/3GF2-SAL/3GF2-SAL_target.pdbqt | data/3G/3GF2-SAL/3GF2-SAL_decoys.pdbqt | data/3G/3GF2-SAL/3GF2-SAL_decoy_scores.csv |
3G11-P9C | data/3G/3G11-P9C/3G11-P9C_ligand.pdbqt | data/3G/3G11-P9C/3G11-P9C_target.pdbqt | data/3G/3G11-P9C/3G11-P9C_decoys.pdbqt | data/3G/3G11-P9C/3G11-P9C_decoy_scores.csv |
3GCQ-1BU | data/3G/3GCQ-1BU/3GCQ-1BU_ligand.pdbqt | data/3G/3GCQ-1BU/3GCQ-1BU_target.pdbqt | data/3G/3GCQ-1BU/3GCQ-1BU_decoys.pdbqt | data/3G/3GCQ-1BU/3GCQ-1BU_decoy_scores.csv |
3G1O-RF1 | data/3G/3G1O-RF1/3G1O-RF1_ligand.pdbqt | data/3G/3G1O-RF1/3G1O-RF1_target.pdbqt | data/3G/3G1O-RF1/3G1O-RF1_decoys.pdbqt | data/3G/3G1O-RF1/3G1O-RF1_decoy_scores.csv |
3G5N-PB2 | data/3G/3G5N-PB2/3G5N-PB2_ligand.pdbqt | data/3G/3G5N-PB2/3G5N-PB2_target.pdbqt | data/3G/3G5N-PB2/3G5N-PB2_decoys.pdbqt | data/3G/3G5N-PB2/3G5N-PB2_decoy_scores.csv |
3GZ3-FMN | data/3G/3GZ3-FMN/3GZ3-FMN_ligand.pdbqt | data/3G/3GZ3-FMN/3GZ3-FMN_target.pdbqt | data/3G/3GZ3-FMN/3GZ3-FMN_decoys.pdbqt | data/3G/3GZ3-FMN/3GZ3-FMN_decoy_scores.csv |
3GWU-SRE | data/3G/3GWU-SRE/3GWU-SRE_ligand.pdbqt | data/3G/3GWU-SRE/3GWU-SRE_target.pdbqt | data/3G/3GWU-SRE/3GWU-SRE_decoys.pdbqt | data/3G/3GWU-SRE/3GWU-SRE_decoy_scores.csv |
3GBK-2PQ | data/3G/3GBK-2PQ/3GBK-2PQ_ligand.pdbqt | data/3G/3GBK-2PQ/3GBK-2PQ_target.pdbqt | data/3G/3GBK-2PQ/3GBK-2PQ_decoys.pdbqt | data/3G/3GBK-2PQ/3GBK-2PQ_decoy_scores.csv |
3GE7-AFQ | data/3G/3GE7-AFQ/3GE7-AFQ_ligand.pdbqt | data/3G/3GE7-AFQ/3GE7-AFQ_target.pdbqt | data/3G/3GE7-AFQ/3GE7-AFQ_decoys.pdbqt | data/3G/3GE7-AFQ/3GE7-AFQ_decoy_scores.csv |
3GEY-P34 | data/3G/3GEY-P34/3GEY-P34_ligand.pdbqt | data/3G/3GEY-P34/3GEY-P34_target.pdbqt | data/3G/3GEY-P34/3GEY-P34_decoys.pdbqt | data/3G/3GEY-P34/3GEY-P34_decoy_scores.csv |
3GS7-8BD | data/3G/3GS7-8BD/3GS7-8BD_ligand.pdbqt | data/3G/3GS7-8BD/3GS7-8BD_target.pdbqt | data/3G/3GS7-8BD/3GS7-8BD_decoys.pdbqt | data/3G/3GS7-8BD/3GS7-8BD_decoy_scores.csv |
3G59-ATP | data/3G/3G59-ATP/3G59-ATP_ligand.pdbqt | data/3G/3G59-ATP/3G59-ATP_target.pdbqt | data/3G/3G59-ATP/3G59-ATP_decoys.pdbqt | data/3G/3G59-ATP/3G59-ATP_decoy_scores.csv |
3GN1-AX7 | data/3G/3GN1-AX7/3GN1-AX7_ligand.pdbqt | data/3G/3GN1-AX7/3GN1-AX7_target.pdbqt | data/3G/3GN1-AX7/3GN1-AX7_decoys.pdbqt | data/3G/3GN1-AX7/3GN1-AX7_decoy_scores.csv |
3GK1-32A | data/3G/3GK1-32A/3GK1-32A_ligand.pdbqt | data/3G/3GK1-32A/3GK1-32A_target.pdbqt | data/3G/3GK1-32A/3GK1-32A_decoys.pdbqt | data/3G/3GK1-32A/3GK1-32A_decoy_scores.csv |
3GB6-P6F | data/3G/3GB6-P6F/3GB6-P6F_ligand.pdbqt | data/3G/3GB6-P6F/3GB6-P6F_target.pdbqt | data/3G/3GB6-P6F/3GB6-P6F_decoys.pdbqt | data/3G/3GB6-P6F/3GB6-P6F_decoy_scores.csv |
3GJX-GTP | data/3G/3GJX-GTP/3GJX-GTP_ligand.pdbqt | data/3G/3GJX-GTP/3GJX-GTP_target.pdbqt | data/3G/3GJX-GTP/3GJX-GTP_decoys.pdbqt | data/3G/3GJX-GTP/3GJX-GTP_decoy_scores.csv |
3G75-B48 | data/3G/3G75-B48/3G75-B48_ligand.pdbqt | data/3G/3G75-B48/3G75-B48_target.pdbqt | data/3G/3G75-B48/3G75-B48_decoys.pdbqt | data/3G/3G75-B48/3G75-B48_decoy_scores.csv |
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