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 ⌀ |
|---|---|---|---|---|
3ODU-ITD | data/3O/3ODU-ITD/3ODU-ITD_ligand.pdbqt | data/3O/3ODU-ITD/3ODU-ITD_target.pdbqt | data/3O/3ODU-ITD/3ODU-ITD_decoys.pdbqt | data/3O/3ODU-ITD/3ODU-ITD_decoy_scores.csv |
3O9A-K14 | data/3O/3O9A-K14/3O9A-K14_ligand.pdbqt | data/3O/3O9A-K14/3O9A-K14_target.pdbqt | data/3O/3O9A-K14/3O9A-K14_decoys.pdbqt | data/3O/3O9A-K14/3O9A-K14_decoy_scores.csv |
3OOU-BTB | data/3O/3OOU-BTB/3OOU-BTB_ligand.pdbqt | data/3O/3OOU-BTB/3OOU-BTB_target.pdbqt | data/3O/3OOU-BTB/3OOU-BTB_decoys.pdbqt | data/3O/3OOU-BTB/3OOU-BTB_decoy_scores.csv |
3OCM-ADP | data/3O/3OCM-ADP/3OCM-ADP_ligand.pdbqt | data/3O/3OCM-ADP/3OCM-ADP_target.pdbqt | data/3O/3OCM-ADP/3OCM-ADP_decoys.pdbqt | data/3O/3OCM-ADP/3OCM-ADP_decoy_scores.csv |
3OWJ-1EL | data/3O/3OWJ-1EL/3OWJ-1EL_ligand.pdbqt | data/3O/3OWJ-1EL/3OWJ-1EL_target.pdbqt | data/3O/3OWJ-1EL/3OWJ-1EL_decoys.pdbqt | data/3O/3OWJ-1EL/3OWJ-1EL_decoy_scores.csv |
3O28-O28 | data/3O/3O28-O28/3O28-O28_ligand.pdbqt | data/3O/3O28-O28/3O28-O28_target.pdbqt | data/3O/3O28-O28/3O28-O28_decoys.pdbqt | data/3O/3O28-O28/3O28-O28_decoy_scores.csv |
3OT3-22K | data/3O/3OT3-22K/3OT3-22K_ligand.pdbqt | data/3O/3OT3-22K/3OT3-22K_target.pdbqt | data/3O/3OT3-22K/3OT3-22K_decoys.pdbqt | data/3O/3OT3-22K/3OT3-22K_decoy_scores.csv |
3OWP-2SB | data/3O/3OWP-2SB/3OWP-2SB_ligand.pdbqt | data/3O/3OWP-2SB/3OWP-2SB_target.pdbqt | data/3O/3OWP-2SB/3OWP-2SB_decoys.pdbqt | data/3O/3OWP-2SB/3OWP-2SB_decoy_scores.csv |
3O2K-DST | data/3O/3O2K-DST/3O2K-DST_ligand.pdbqt | data/3O/3O2K-DST/3O2K-DST_target.pdbqt | data/3O/3O2K-DST/3O2K-DST_decoys.pdbqt | data/3O/3O2K-DST/3O2K-DST_decoy_scores.csv |
3O9D-K19 | data/3O/3O9D-K19/3O9D-K19_ligand.pdbqt | data/3O/3O9D-K19/3O9D-K19_target.pdbqt | data/3O/3O9D-K19/3O9D-K19_decoys.pdbqt | data/3O/3O9D-K19/3O9D-K19_decoy_scores.csv |
3OIM-VZ5 | data/3O/3OIM-VZ5/3OIM-VZ5_ligand.pdbqt | data/3O/3OIM-VZ5/3OIM-VZ5_target.pdbqt | data/3O/3OIM-VZ5/3OIM-VZ5_decoys.pdbqt | data/3O/3OIM-VZ5/3OIM-VZ5_decoy_scores.csv |
3OQ6-PFB | data/3O/3OQ6-PFB/3OQ6-PFB_ligand.pdbqt | data/3O/3OQ6-PFB/3OQ6-PFB_target.pdbqt | data/3O/3OQ6-PFB/3OQ6-PFB_decoys.pdbqt | data/3O/3OQ6-PFB/3OQ6-PFB_decoy_scores.csv |
3OA0-NAD | data/3O/3OA0-NAD/3OA0-NAD_ligand.pdbqt | data/3O/3OA0-NAD/3OA0-NAD_target.pdbqt | data/3O/3OA0-NAD/3OA0-NAD_decoys.pdbqt | data/3O/3OA0-NAD/3OA0-NAD_decoy_scores.csv |
3OXZ-0LI | data/3O/3OXZ-0LI/3OXZ-0LI_ligand.pdbqt | data/3O/3OXZ-0LI/3OXZ-0LI_target.pdbqt | data/3O/3OXZ-0LI/3OXZ-0LI_decoys.pdbqt | data/3O/3OXZ-0LI/3OXZ-0LI_decoy_scores.csv |
3OS5-SAH | data/3O/3OS5-SAH/3OS5-SAH_ligand.pdbqt | data/3O/3OS5-SAH/3OS5-SAH_target.pdbqt | data/3O/3OS5-SAH/3OS5-SAH_decoys.pdbqt | data/3O/3OS5-SAH/3OS5-SAH_decoy_scores.csv |
3OY1-589 | data/3O/3OY1-589/3OY1-589_ligand.pdbqt | data/3O/3OY1-589/3OY1-589_target.pdbqt | data/3O/3OY1-589/3OY1-589_decoys.pdbqt | data/3O/3OY1-589/3OY1-589_decoy_scores.csv |
3OIL-VZ5 | data/3O/3OIL-VZ5/3OIL-VZ5_ligand.pdbqt | data/3O/3OIL-VZ5/3OIL-VZ5_target.pdbqt | data/3O/3OIL-VZ5/3OIL-VZ5_decoys.pdbqt | data/3O/3OIL-VZ5/3OIL-VZ5_decoy_scores.csv |
3O2X-3O2 | data/3O/3O2X-3O2/3O2X-3O2_ligand.pdbqt | data/3O/3O2X-3O2/3O2X-3O2_target.pdbqt | data/3O/3O2X-3O2/3O2X-3O2_decoys.pdbqt | data/3O/3O2X-3O2/3O2X-3O2_decoy_scores.csv |
3O8M-GLC | data/3O/3O8M-GLC/3O8M-GLC_ligand.pdbqt | data/3O/3O8M-GLC/3O8M-GLC_target.pdbqt | data/3O/3O8M-GLC/3O8M-GLC_decoys.pdbqt | data/3O/3O8M-GLC/3O8M-GLC_decoy_scores.csv |
3OVL-ORA | data/3O/3OVL-ORA/3OVL-ORA_ligand.pdbqt | data/3O/3OVL-ORA/3OVL-ORA_target.pdbqt | data/3O/3OVL-ORA/3OVL-ORA_decoys.pdbqt | data/3O/3OVL-ORA/3OVL-ORA_decoy_scores.csv |
3OH1-UGB | data/3O/3OH1-UGB/3OH1-UGB_ligand.pdbqt | data/3O/3OH1-UGB/3OH1-UGB_target.pdbqt | data/3O/3OH1-UGB/3OH1-UGB_decoys.pdbqt | data/3O/3OH1-UGB/3OH1-UGB_decoy_scores.csv |
3OAD-LPO | data/3O/3OAD-LPO/3OAD-LPO_ligand.pdbqt | data/3O/3OAD-LPO/3OAD-LPO_target.pdbqt | data/3O/3OAD-LPO/3OAD-LPO_decoys.pdbqt | data/3O/3OAD-LPO/3OAD-LPO_decoy_scores.csv |
3O9K-ETT | data/3O/3O9K-ETT/3O9K-ETT_ligand.pdbqt | data/3O/3O9K-ETT/3O9K-ETT_target.pdbqt | data/3O/3O9K-ETT/3O9K-ETT_decoys.pdbqt | data/3O/3O9K-ETT/3O9K-ETT_decoy_scores.csv |
3OOB-KDH | data/3O/3OOB-KDH/3OOB-KDH_ligand.pdbqt | data/3O/3OOB-KDH/3OOB-KDH_target.pdbqt | data/3O/3OOB-KDH/3OOB-KDH_decoys.pdbqt | data/3O/3OOB-KDH/3OOB-KDH_decoy_scores.csv |
3OMA-TRD | data/3O/3OMA-TRD/3OMA-TRD_ligand.pdbqt | data/3O/3OMA-TRD/3OMA-TRD_target.pdbqt | data/3O/3OMA-TRD/3OMA-TRD_decoys.pdbqt | data/3O/3OMA-TRD/3OMA-TRD_decoy_scores.csv |
3OZW-KKK | data/3O/3OZW-KKK/3OZW-KKK_ligand.pdbqt | data/3O/3OZW-KKK/3OZW-KKK_target.pdbqt | data/3O/3OZW-KKK/3OZW-KKK_decoys.pdbqt | data/3O/3OZW-KKK/3OZW-KKK_decoy_scores.csv |
3OYR-DMA | data/3O/3OYR-DMA/3OYR-DMA_ligand.pdbqt | data/3O/3OYR-DMA/3OYR-DMA_target.pdbqt | data/3O/3OYR-DMA/3OYR-DMA_decoys.pdbqt | data/3O/3OYR-DMA/3OYR-DMA_decoy_scores.csv |
3O73-O73 | data/3O/3O73-O73/3O73-O73_ligand.pdbqt | data/3O/3O73-O73/3O73-O73_target.pdbqt | data/3O/3O73-O73/3O73-O73_decoys.pdbqt | data/3O/3O73-O73/3O73-O73_decoy_scores.csv |
3OE5-611 | data/3O/3OE5-611/3OE5-611_ligand.pdbqt | data/3O/3OE5-611/3OE5-611_target.pdbqt | data/3O/3OE5-611/3OE5-611_decoys.pdbqt | data/3O/3OE5-611/3OE5-611_decoy_scores.csv |
3OQ6-NAJ | data/3O/3OQ6-NAJ/3OQ6-NAJ_ligand.pdbqt | data/3O/3OQ6-NAJ/3OQ6-NAJ_target.pdbqt | data/3O/3OQ6-NAJ/3OQ6-NAJ_decoys.pdbqt | data/3O/3OQ6-NAJ/3OQ6-NAJ_decoy_scores.csv |
3O1X-ADN | data/3O/3O1X-ADN/3O1X-ADN_ligand.pdbqt | data/3O/3O1X-ADN/3O1X-ADN_target.pdbqt | data/3O/3O1X-ADN/3O1X-ADN_decoys.pdbqt | data/3O/3O1X-ADN/3O1X-ADN_decoy_scores.csv |
3OT8-MI5 | data/3O/3OT8-MI5/3OT8-MI5_ligand.pdbqt | data/3O/3OT8-MI5/3OT8-MI5_target.pdbqt | data/3O/3OT8-MI5/3OT8-MI5_decoys.pdbqt | data/3O/3OT8-MI5/3OT8-MI5_decoy_scores.csv |
3OAZ-2M5 | data/3O/3OAZ-2M5/3OAZ-2M5_ligand.pdbqt | data/3O/3OAZ-2M5/3OAZ-2M5_target.pdbqt | data/3O/3OAZ-2M5/3OAZ-2M5_decoys.pdbqt | data/3O/3OAZ-2M5/3OAZ-2M5_decoy_scores.csv |
3OVJ-ORA | data/3O/3OVJ-ORA/3OVJ-ORA_ligand.pdbqt | data/3O/3OVJ-ORA/3OVJ-ORA_target.pdbqt | data/3O/3OVJ-ORA/3OVJ-ORA_decoys.pdbqt | data/3O/3OVJ-ORA/3OVJ-ORA_decoy_scores.csv |
3OWD-MEY | data/3O/3OWD-MEY/3OWD-MEY_ligand.pdbqt | data/3O/3OWD-MEY/3OWD-MEY_target.pdbqt | data/3O/3OWD-MEY/3OWD-MEY_decoys.pdbqt | data/3O/3OWD-MEY/3OWD-MEY_decoy_scores.csv |
3OCJ-PLM | data/3O/3OCJ-PLM/3OCJ-PLM_ligand.pdbqt | data/3O/3OCJ-PLM/3OCJ-PLM_target.pdbqt | data/3O/3OCJ-PLM/3OCJ-PLM_decoys.pdbqt | data/3O/3OCJ-PLM/3OCJ-PLM_decoy_scores.csv |
3OJK-P6G | data/3O/3OJK-P6G/3OJK-P6G_ligand.pdbqt | data/3O/3OJK-P6G/3OJK-P6G_target.pdbqt | data/3O/3OJK-P6G/3OJK-P6G_decoys.pdbqt | data/3O/3OJK-P6G/3OJK-P6G_decoy_scores.csv |
3O61-GDD | data/3O/3O61-GDD/3O61-GDD_ligand.pdbqt | data/3O/3O61-GDD/3O61-GDD_target.pdbqt | data/3O/3O61-GDD/3O61-GDD_decoys.pdbqt | data/3O/3O61-GDD/3O61-GDD_decoy_scores.csv |
3OCV-AMP | data/3O/3OCV-AMP/3OCV-AMP_ligand.pdbqt | data/3O/3OCV-AMP/3OCV-AMP_target.pdbqt | data/3O/3OCV-AMP/3OCV-AMP_decoys.pdbqt | data/3O/3OCV-AMP/3OCV-AMP_decoy_scores.csv |
3OEN-GLU | data/3O/3OEN-GLU/3OEN-GLU_ligand.pdbqt | data/3O/3OEN-GLU/3OEN-GLU_target.pdbqt | data/3O/3OEN-GLU/3OEN-GLU_decoys.pdbqt | data/3O/3OEN-GLU/3OEN-GLU_decoy_scores.csv |
3OWK-18E | data/3O/3OWK-18E/3OWK-18E_ligand.pdbqt | data/3O/3OWK-18E/3OWK-18E_target.pdbqt | data/3O/3OWK-18E/3OWK-18E_decoys.pdbqt | data/3O/3OWK-18E/3OWK-18E_decoy_scores.csv |
3OS9-KN1 | data/3O/3OS9-KN1/3OS9-KN1_ligand.pdbqt | data/3O/3OS9-KN1/3OS9-KN1_target.pdbqt | data/3O/3OS9-KN1/3OS9-KN1_decoys.pdbqt | data/3O/3OS9-KN1/3OS9-KN1_decoy_scores.csv |
3O7U-PXN | data/3O/3O7U-PXN/3O7U-PXN_ligand.pdbqt | data/3O/3O7U-PXN/3O7U-PXN_target.pdbqt | data/3O/3O7U-PXN/3O7U-PXN_decoys.pdbqt | data/3O/3O7U-PXN/3O7U-PXN_decoy_scores.csv |
3OID-TCL | data/3O/3OID-TCL/3OID-TCL_ligand.pdbqt | data/3O/3OID-TCL/3OID-TCL_target.pdbqt | data/3O/3OID-TCL/3OID-TCL_decoys.pdbqt | data/3O/3OID-TCL/3OID-TCL_decoy_scores.csv |
3OMF-AMP | data/3O/3OMF-AMP/3OMF-AMP_ligand.pdbqt | data/3O/3OMF-AMP/3OMF-AMP_target.pdbqt | data/3O/3OMF-AMP/3OMF-AMP_decoys.pdbqt | data/3O/3OMF-AMP/3OMF-AMP_decoy_scores.csv |
3O9P-MHI | data/3O/3O9P-MHI/3O9P-MHI_ligand.pdbqt | data/3O/3O9P-MHI/3O9P-MHI_target.pdbqt | data/3O/3O9P-MHI/3O9P-MHI_decoys.pdbqt | data/3O/3O9P-MHI/3O9P-MHI_decoy_scores.csv |
3OMI-HTH | data/3O/3OMI-HTH/3OMI-HTH_ligand.pdbqt | data/3O/3OMI-HTH/3OMI-HTH_target.pdbqt | data/3O/3OMI-HTH/3OMI-HTH_decoys.pdbqt | data/3O/3OMI-HTH/3OMI-HTH_decoy_scores.csv |
3OKH-OKH | data/3O/3OKH-OKH/3OKH-OKH_ligand.pdbqt | data/3O/3OKH-OKH/3OKH-OKH_target.pdbqt | data/3O/3OKH-OKH/3OKH-OKH_decoys.pdbqt | data/3O/3OKH-OKH/3OKH-OKH_decoy_scores.csv |
3OEY-NAD | data/3O/3OEY-NAD/3OEY-NAD_ligand.pdbqt | data/3O/3OEY-NAD/3OEY-NAD_target.pdbqt | data/3O/3OEY-NAD/3OEY-NAD_decoys.pdbqt | data/3O/3OEY-NAD/3OEY-NAD_decoy_scores.csv |
3ORQ-ADP | data/3O/3ORQ-ADP/3ORQ-ADP_ligand.pdbqt | data/3O/3ORQ-ADP/3ORQ-ADP_target.pdbqt | data/3O/3ORQ-ADP/3ORQ-ADP_decoys.pdbqt | data/3O/3ORQ-ADP/3ORQ-ADP_decoy_scores.csv |
3OBJ-BMU | data/3O/3OBJ-BMU/3OBJ-BMU_ligand.pdbqt | data/3O/3OBJ-BMU/3OBJ-BMU_target.pdbqt | data/3O/3OBJ-BMU/3OBJ-BMU_decoys.pdbqt | data/3O/3OBJ-BMU/3OBJ-BMU_decoy_scores.csv |
3O99-K13 | data/3O/3O99-K13/3O99-K13_ligand.pdbqt | data/3O/3O99-K13/3O99-K13_target.pdbqt | data/3O/3O99-K13/3O99-K13_decoys.pdbqt | data/3O/3O99-K13/3O99-K13_decoy_scores.csv |
3OGT-FMV | data/3O/3OGT-FMV/3OGT-FMV_ligand.pdbqt | data/3O/3OGT-FMV/3OGT-FMV_target.pdbqt | data/3O/3OGT-FMV/3OGT-FMV_decoys.pdbqt | data/3O/3OGT-FMV/3OGT-FMV_decoy_scores.csv |
3OWF-THP | data/3O/3OWF-THP/3OWF-THP_ligand.pdbqt | data/3O/3OWF-THP/3OWF-THP_target.pdbqt | data/3O/3OWF-THP/3OWF-THP_decoys.pdbqt | data/3O/3OWF-THP/3OWF-THP_decoy_scores.csv |
3OY4-017 | data/3O/3OY4-017/3OY4-017_ligand.pdbqt | data/3O/3OY4-017/3OY4-017_target.pdbqt | data/3O/3OY4-017/3OY4-017_decoys.pdbqt | data/3O/3OY4-017/3OY4-017_decoy_scores.csv |
3O9F-K2D | data/3O/3O9F-K2D/3O9F-K2D_ligand.pdbqt | data/3O/3O9F-K2D/3O9F-K2D_target.pdbqt | data/3O/3O9F-K2D/3O9F-K2D_decoys.pdbqt | data/3O/3O9F-K2D/3O9F-K2D_decoy_scores.csv |
3OMI-DMU | data/3O/3OMI-DMU/3OMI-DMU_ligand.pdbqt | data/3O/3OMI-DMU/3OMI-DMU_target.pdbqt | data/3O/3OMI-DMU/3OMI-DMU_decoys.pdbqt | data/3O/3OMI-DMU/3OMI-DMU_decoy_scores.csv |
3O5B-BGC | data/3O/3O5B-BGC/3O5B-BGC_ligand.pdbqt | data/3O/3O5B-BGC/3O5B-BGC_target.pdbqt | data/3O/3O5B-BGC/3O5B-BGC_decoys.pdbqt | data/3O/3O5B-BGC/3O5B-BGC_decoy_scores.csv |
3O6G-O27 | data/3O/3O6G-O27/3O6G-O27_ligand.pdbqt | data/3O/3O6G-O27/3O6G-O27_target.pdbqt | data/3O/3O6G-O27/3O6G-O27_decoys.pdbqt | data/3O/3O6G-O27/3O6G-O27_decoy_scores.csv |
3OHH-3HH | data/3O/3OHH-3HH/3OHH-3HH_ligand.pdbqt | data/3O/3OHH-3HH/3OHH-3HH_target.pdbqt | data/3O/3OHH-3HH/3OHH-3HH_decoys.pdbqt | data/3O/3OHH-3HH/3OHH-3HH_decoy_scores.csv |
3OZC-4CT | data/3O/3OZC-4CT/3OZC-4CT_ligand.pdbqt | data/3O/3OZC-4CT/3OZC-4CT_target.pdbqt | data/3O/3OZC-4CT/3OZC-4CT_decoys.pdbqt | data/3O/3OZC-4CT/3OZC-4CT_decoy_scores.csv |
3OJJ-P6G | data/3O/3OJJ-P6G/3OJJ-P6G_ligand.pdbqt | data/3O/3OJJ-P6G/3OJJ-P6G_target.pdbqt | data/3O/3OJJ-P6G/3OJJ-P6G_decoys.pdbqt | data/3O/3OJJ-P6G/3OJJ-P6G_decoy_scores.csv |
3ORF-NAD | data/3O/3ORF-NAD/3ORF-NAD_ligand.pdbqt | data/3O/3ORF-NAD/3ORF-NAD_target.pdbqt | data/3O/3ORF-NAD/3ORF-NAD_decoys.pdbqt | data/3O/3ORF-NAD/3ORF-NAD_decoy_scores.csv |
3OWX-XRA | data/3O/3OWX-XRA/3OWX-XRA_ligand.pdbqt | data/3O/3OWX-XRA/3OWX-XRA_target.pdbqt | data/3O/3OWX-XRA/3OWX-XRA_decoys.pdbqt | data/3O/3OWX-XRA/3OWX-XRA_decoy_scores.csv |
3OVP-XPE | data/3O/3OVP-XPE/3OVP-XPE_ligand.pdbqt | data/3O/3OVP-XPE/3OVP-XPE_target.pdbqt | data/3O/3OVP-XPE/3OVP-XPE_decoys.pdbqt | data/3O/3OVP-XPE/3OVP-XPE_decoy_scores.csv |
3ONB-LDT | data/3O/3ONB-LDT/3ONB-LDT_ligand.pdbqt | data/3O/3ONB-LDT/3ONB-LDT_target.pdbqt | data/3O/3ONB-LDT/3ONB-LDT_decoys.pdbqt | data/3O/3ONB-LDT/3ONB-LDT_decoy_scores.csv |
3O9I-A61 | data/3O/3O9I-A61/3O9I-A61_ligand.pdbqt | data/3O/3O9I-A61/3O9I-A61_target.pdbqt | data/3O/3O9I-A61/3O9I-A61_decoys.pdbqt | data/3O/3O9I-A61/3O9I-A61_decoy_scores.csv |
3OYQ-OYQ | data/3O/3OYQ-OYQ/3OYQ-OYQ_ligand.pdbqt | data/3O/3OYQ-OYQ/3OYQ-OYQ_target.pdbqt | data/3O/3OYQ-OYQ/3OYQ-OYQ_decoys.pdbqt | data/3O/3OYQ-OYQ/3OYQ-OYQ_decoy_scores.csv |
3OMN-TRD | data/3O/3OMN-TRD/3OMN-TRD_ligand.pdbqt | data/3O/3OMN-TRD/3OMN-TRD_target.pdbqt | data/3O/3OMN-TRD/3OMN-TRD_decoys.pdbqt | data/3O/3OMN-TRD/3OMN-TRD_decoy_scores.csv |
3O2C-CYC | data/3O/3O2C-CYC/3O2C-CYC_ligand.pdbqt | data/3O/3O2C-CYC/3O2C-CYC_target.pdbqt | data/3O/3O2C-CYC/3O2C-CYC_decoys.pdbqt | data/3O/3O2C-CYC/3O2C-CYC_decoy_scores.csv |
3OCW-3AM | data/3O/3OCW-3AM/3OCW-3AM_ligand.pdbqt | data/3O/3OCW-3AM/3OCW-3AM_target.pdbqt | data/3O/3OCW-3AM/3OCW-3AM_decoys.pdbqt | data/3O/3OCW-3AM/3OCW-3AM_decoy_scores.csv |
3ORI-AGS | data/3O/3ORI-AGS/3ORI-AGS_ligand.pdbqt | data/3O/3ORI-AGS/3ORI-AGS_target.pdbqt | data/3O/3ORI-AGS/3ORI-AGS_decoys.pdbqt | data/3O/3ORI-AGS/3ORI-AGS_decoy_scores.csv |
3O9E-A60 | data/3O/3O9E-A60/3O9E-A60_ligand.pdbqt | data/3O/3O9E-A60/3O9E-A60_target.pdbqt | data/3O/3O9E-A60/3O9E-A60_decoys.pdbqt | data/3O/3O9E-A60/3O9E-A60_decoy_scores.csv |
3ODK-PE4 | data/3O/3ODK-PE4/3ODK-PE4_ligand.pdbqt | data/3O/3ODK-PE4/3ODK-PE4_target.pdbqt | data/3O/3ODK-PE4/3ODK-PE4_decoys.pdbqt | data/3O/3ODK-PE4/3ODK-PE4_decoy_scores.csv |
3OII-SAH | data/3O/3OII-SAH/3OII-SAH_ligand.pdbqt | data/3O/3OII-SAH/3OII-SAH_target.pdbqt | data/3O/3OII-SAH/3OII-SAH_decoys.pdbqt | data/3O/3OII-SAH/3OII-SAH_decoy_scores.csv |
3OKU-VZ4 | data/3O/3OKU-VZ4/3OKU-VZ4_ligand.pdbqt | data/3O/3OKU-VZ4/3OKU-VZ4_target.pdbqt | data/3O/3OKU-VZ4/3OKU-VZ4_decoys.pdbqt | data/3O/3OKU-VZ4/3OKU-VZ4_decoy_scores.csv |
3ON2-PG6 | data/3O/3ON2-PG6/3ON2-PG6_ligand.pdbqt | data/3O/3ON2-PG6/3ON2-PG6_target.pdbqt | data/3O/3ON2-PG6/3ON2-PG6_decoys.pdbqt | data/3O/3ON2-PG6/3ON2-PG6_decoy_scores.csv |
3O6I-GLU | data/3O/3O6I-GLU/3O6I-GLU_ligand.pdbqt | data/3O/3O6I-GLU/3O6I-GLU_target.pdbqt | data/3O/3O6I-GLU/3O6I-GLU_decoys.pdbqt | data/3O/3O6I-GLU/3O6I-GLU_decoy_scores.csv |
3O5T-ADP | data/3O/3O5T-ADP/3O5T-ADP_ligand.pdbqt | data/3O/3O5T-ADP/3O5T-ADP_target.pdbqt | data/3O/3O5T-ADP/3O5T-ADP_decoys.pdbqt | data/3O/3O5T-ADP/3O5T-ADP_decoy_scores.csv |
3OW3-SMY | data/3O/3OW3-SMY/3OW3-SMY_ligand.pdbqt | data/3O/3OW3-SMY/3OW3-SMY_target.pdbqt | data/3O/3OW3-SMY/3OW3-SMY_decoys.pdbqt | data/3O/3OW3-SMY/3OW3-SMY_decoy_scores.csv |
3OZR-OZR | data/3O/3OZR-OZR/3OZR-OZR_ligand.pdbqt | data/3O/3OZR-OZR/3OZR-OZR_target.pdbqt | data/3O/3OZR-OZR/3OZR-OZR_decoys.pdbqt | data/3O/3OZR-OZR/3OZR-OZR_decoy_scores.csv |
3O9C-K20 | data/3O/3O9C-K20/3O9C-K20_ligand.pdbqt | data/3O/3O9C-K20/3O9C-K20_target.pdbqt | data/3O/3O9C-K20/3O9C-K20_decoys.pdbqt | data/3O/3O9C-K20/3O9C-K20_decoy_scores.csv |
3OVR-XPE | data/3O/3OVR-XPE/3OVR-XPE_ligand.pdbqt | data/3O/3OVR-XPE/3OVR-XPE_target.pdbqt | data/3O/3OVR-XPE/3OVR-XPE_decoys.pdbqt | data/3O/3OVR-XPE/3OVR-XPE_decoy_scores.csv |
3OKI-OKI | data/3O/3OKI-OKI/3OKI-OKI_ligand.pdbqt | data/3O/3OKI-OKI/3OKI-OKI_target.pdbqt | data/3O/3OKI-OKI/3OKI-OKI_decoys.pdbqt | data/3O/3OKI-OKI/3OKI-OKI_decoy_scores.csv |
3OCL-CB9 | data/3O/3OCL-CB9/3OCL-CB9_ligand.pdbqt | data/3O/3OCL-CB9/3OCL-CB9_target.pdbqt | data/3O/3OCL-CB9/3OCL-CB9_decoys.pdbqt | data/3O/3OCL-CB9/3OCL-CB9_decoy_scores.csv |
3O34-BTN | data/3O/3O34-BTN/3O34-BTN_ligand.pdbqt | data/3O/3O34-BTN/3O34-BTN_target.pdbqt | data/3O/3O34-BTN/3O34-BTN_decoys.pdbqt | data/3O/3O34-BTN/3O34-BTN_decoy_scores.csv |
3OA0-HP7 | data/3O/3OA0-HP7/3OA0-HP7_ligand.pdbqt | data/3O/3OA0-HP7/3OA0-HP7_target.pdbqt | data/3O/3OA0-HP7/3OA0-HP7_decoys.pdbqt | data/3O/3OA0-HP7/3OA0-HP7_decoy_scores.csv |
3OOJ-GLU | data/3O/3OOJ-GLU/3OOJ-GLU_ligand.pdbqt | data/3O/3OOJ-GLU/3OOJ-GLU_target.pdbqt | data/3O/3OOJ-GLU/3OOJ-GLU_decoys.pdbqt | data/3O/3OOJ-GLU/3OOJ-GLU_decoy_scores.csv |
2UV6-AMP | data/2U/2UV6-AMP/2UV6-AMP_ligand.pdbqt | data/2U/2UV6-AMP/2UV6-AMP_target.pdbqt | data/2U/2UV6-AMP/2UV6-AMP_decoys.pdbqt | data/2U/2UV6-AMP/2UV6-AMP_decoy_scores.csv |
2UZT-SS3 | data/2U/2UZT-SS3/2UZT-SS3_ligand.pdbqt | data/2U/2UZT-SS3/2UZT-SS3_target.pdbqt | data/2U/2UZT-SS3/2UZT-SS3_decoys.pdbqt | data/2U/2UZT-SS3/2UZT-SS3_decoy_scores.csv |
2UW9-GVP | data/2U/2UW9-GVP/2UW9-GVP_ligand.pdbqt | data/2U/2UW9-GVP/2UW9-GVP_target.pdbqt | data/2U/2UW9-GVP/2UW9-GVP_decoys.pdbqt | data/2U/2UW9-GVP/2UW9-GVP_decoy_scores.csv |
2UUE-GVC | data/2U/2UUE-GVC/2UUE-GVC_ligand.pdbqt | data/2U/2UUE-GVC/2UUE-GVC_target.pdbqt | data/2U/2UUE-GVC/2UUE-GVC_decoys.pdbqt | data/2U/2UUE-GVC/2UUE-GVC_decoy_scores.csv |
2UXJ-UQ2 | data/2U/2UXJ-UQ2/2UXJ-UQ2_ligand.pdbqt | data/2U/2UXJ-UQ2/2UXJ-UQ2_target.pdbqt | data/2U/2UXJ-UQ2/2UXJ-UQ2_decoys.pdbqt | data/2U/2UXJ-UQ2/2UXJ-UQ2_decoy_scores.csv |
2UZW-SS4 | data/2U/2UZW-SS4/2UZW-SS4_ligand.pdbqt | data/2U/2UZW-SS4/2UZW-SS4_target.pdbqt | data/2U/2UZW-SS4/2UZW-SS4_decoys.pdbqt | data/2U/2UZW-SS4/2UZW-SS4_decoy_scores.csv |
2UZU-L20 | data/2U/2UZU-L20/2UZU-L20_ligand.pdbqt | data/2U/2UZU-L20/2UZU-L20_target.pdbqt | data/2U/2UZU-L20/2UZU-L20_decoys.pdbqt | data/2U/2UZU-L20/2UZU-L20_decoy_scores.csv |
2UW4-L15 | data/2U/2UW4-L15/2UW4-L15_ligand.pdbqt | data/2U/2UW4-L15/2UW4-L15_target.pdbqt | data/2U/2UW4-L15/2UW4-L15_decoys.pdbqt | data/2U/2UW4-L15/2UW4-L15_decoy_scores.csv |
2UW3-GVG | data/2U/2UW3-GVG/2UW3-GVG_ligand.pdbqt | data/2U/2UW3-GVG/2UW3-GVG_target.pdbqt | data/2U/2UW3-GVG/2UW3-GVG_decoys.pdbqt | data/2U/2UW3-GVG/2UW3-GVG_decoy_scores.csv |
2UUU-PL3 | data/2U/2UUU-PL3/2UUU-PL3_ligand.pdbqt | data/2U/2UUU-PL3/2UUU-PL3_target.pdbqt | data/2U/2UUU-PL3/2UUU-PL3_decoys.pdbqt | data/2U/2UUU-PL3/2UUU-PL3_decoy_scores.csv |
2UKD-ADP | data/2U/2UKD-ADP/2UKD-ADP_ligand.pdbqt | data/2U/2UKD-ADP/2UKD-ADP_target.pdbqt | data/2U/2UKD-ADP/2UKD-ADP_decoys.pdbqt | data/2U/2UKD-ADP/2UKD-ADP_decoy_scores.csv |
2UWU-HTO | data/2U/2UWU-HTO/2UWU-HTO_ligand.pdbqt | data/2U/2UWU-HTO/2UWU-HTO_target.pdbqt | data/2U/2UWU-HTO/2UWU-HTO_decoys.pdbqt | data/2U/2UWU-HTO/2UWU-HTO_decoy_scores.csv |
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