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 ⌀ |
|---|---|---|---|---|
2A2D-ANP | data/2A/2A2D-ANP/2A2D-ANP_ligand.pdbqt | data/2A/2A2D-ANP/2A2D-ANP_target.pdbqt | data/2A/2A2D-ANP/2A2D-ANP_decoys.pdbqt | data/2A/2A2D-ANP/2A2D-ANP_decoy_scores.csv |
2ANM-CDO | data/2A/2ANM-CDO/2ANM-CDO_ligand.pdbqt | data/2A/2ANM-CDO/2ANM-CDO_target.pdbqt | data/2A/2ANM-CDO/2ANM-CDO_decoys.pdbqt | data/2A/2ANM-CDO/2ANM-CDO_decoy_scores.csv |
2A5S-GLU | data/2A/2A5S-GLU/2A5S-GLU_ligand.pdbqt | data/2A/2A5S-GLU/2A5S-GLU_target.pdbqt | data/2A/2A5S-GLU/2A5S-GLU_decoys.pdbqt | data/2A/2A5S-GLU/2A5S-GLU_decoy_scores.csv |
2A1U-AMP | data/2A/2A1U-AMP/2A1U-AMP_ligand.pdbqt | data/2A/2A1U-AMP/2A1U-AMP_target.pdbqt | data/2A/2A1U-AMP/2A1U-AMP_decoys.pdbqt | data/2A/2A1U-AMP/2A1U-AMP_decoy_scores.csv |
2A9G-ARG | data/2A/2A9G-ARG/2A9G-ARG_ligand.pdbqt | data/2A/2A9G-ARG/2A9G-ARG_target.pdbqt | data/2A/2A9G-ARG/2A9G-ARG_decoys.pdbqt | data/2A/2A9G-ARG/2A9G-ARG_decoy_scores.csv |
2AK3-AMP | data/2A/2AK3-AMP/2AK3-AMP_ligand.pdbqt | data/2A/2AK3-AMP/2AK3-AMP_target.pdbqt | data/2A/2AK3-AMP/2AK3-AMP_decoys.pdbqt | data/2A/2AK3-AMP/2AK3-AMP_decoy_scores.csv |
2A2S-GSN | data/2A/2A2S-GSN/2A2S-GSN_ligand.pdbqt | data/2A/2A2S-GSN/2A2S-GSN_target.pdbqt | data/2A/2A2S-GSN/2A2S-GSN_decoys.pdbqt | data/2A/2A2S-GSN/2A2S-GSN_decoy_scores.csv |
2A3A-TEP | data/2A/2A3A-TEP/2A3A-TEP_ligand.pdbqt | data/2A/2A3A-TEP/2A3A-TEP_target.pdbqt | data/2A/2A3A-TEP/2A3A-TEP_decoys.pdbqt | data/2A/2A3A-TEP/2A3A-TEP_decoy_scores.csv |
2AGW-TSS | data/2A/2AGW-TSS/2AGW-TSS_ligand.pdbqt | data/2A/2AGW-TSS/2AGW-TSS_target.pdbqt | data/2A/2AGW-TSS/2AGW-TSS_decoys.pdbqt | data/2A/2AGW-TSS/2AGW-TSS_decoy_scores.csv |
2ABJ-CBC | data/2A/2ABJ-CBC/2ABJ-CBC_ligand.pdbqt | data/2A/2ABJ-CBC/2ABJ-CBC_target.pdbqt | data/2A/2ABJ-CBC/2ABJ-CBC_decoys.pdbqt | data/2A/2ABJ-CBC/2ABJ-CBC_decoy_scores.csv |
2A2X-NA9 | data/2A/2A2X-NA9/2A2X-NA9_ligand.pdbqt | data/2A/2A2X-NA9/2A2X-NA9_target.pdbqt | data/2A/2A2X-NA9/2A2X-NA9_decoys.pdbqt | data/2A/2A2X-NA9/2A2X-NA9_decoy_scores.csv |
2ALG-DAO | data/2A/2ALG-DAO/2ALG-DAO_ligand.pdbqt | data/2A/2ALG-DAO/2ALG-DAO_target.pdbqt | data/2A/2ALG-DAO/2ALG-DAO_decoys.pdbqt | data/2A/2ALG-DAO/2ALG-DAO_decoy_scores.csv |
2ATV-GDP | data/2A/2ATV-GDP/2ATV-GDP_ligand.pdbqt | data/2A/2ATV-GDP/2ATV-GDP_target.pdbqt | data/2A/2ATV-GDP/2ATV-GDP_decoys.pdbqt | data/2A/2ATV-GDP/2ATV-GDP_decoy_scores.csv |
2ATE-NIA | data/2A/2ATE-NIA/2ATE-NIA_ligand.pdbqt | data/2A/2ATE-NIA/2ATE-NIA_target.pdbqt | data/2A/2ATE-NIA/2ATE-NIA_decoys.pdbqt | data/2A/2ATE-NIA/2ATE-NIA_decoy_scores.csv |
2AEL-SAZ | data/2A/2AEL-SAZ/2AEL-SAZ_ligand.pdbqt | data/2A/2AEL-SAZ/2AEL-SAZ_target.pdbqt | data/2A/2AEL-SAZ/2AEL-SAZ_decoys.pdbqt | data/2A/2AEL-SAZ/2AEL-SAZ_decoy_scores.csv |
2AI1-P1G | data/2A/2AI1-P1G/2AI1-P1G_ligand.pdbqt | data/2A/2AI1-P1G/2AI1-P1G_target.pdbqt | data/2A/2AI1-P1G/2AI1-P1G_decoys.pdbqt | data/2A/2AI1-P1G/2AI1-P1G_decoy_scores.csv |
2APC-UDM | data/2A/2APC-UDM/2APC-UDM_ligand.pdbqt | data/2A/2APC-UDM/2APC-UDM_target.pdbqt | data/2A/2APC-UDM/2APC-UDM_decoys.pdbqt | data/2A/2APC-UDM/2APC-UDM_decoy_scores.csv |
2ATK-F09 | data/2A/2ATK-F09/2ATK-F09_ligand.pdbqt | data/2A/2ATK-F09/2ATK-F09_target.pdbqt | data/2A/2ATK-F09/2ATK-F09_decoys.pdbqt | data/2A/2ATK-F09/2ATK-F09_decoy_scores.csv |
2ANW-BEN | data/2A/2ANW-BEN/2ANW-BEN_ligand.pdbqt | data/2A/2ANW-BEN/2ANW-BEN_target.pdbqt | data/2A/2ANW-BEN/2ANW-BEN_decoys.pdbqt | data/2A/2ANW-BEN/2ANW-BEN_decoy_scores.csv |
2AFH-P6G | data/2A/2AFH-P6G/2AFH-P6G_ligand.pdbqt | data/2A/2AFH-P6G/2AFH-P6G_target.pdbqt | data/2A/2AFH-P6G/2AFH-P6G_decoys.pdbqt | data/2A/2AFH-P6G/2AFH-P6G_decoy_scores.csv |
2AX7-FHM | data/2A/2AX7-FHM/2AX7-FHM_ligand.pdbqt | data/2A/2AX7-FHM/2AX7-FHM_target.pdbqt | data/2A/2AX7-FHM/2AX7-FHM_decoys.pdbqt | data/2A/2AX7-FHM/2AX7-FHM_decoy_scores.csv |
2AER-GLC | data/2A/2AER-GLC/2AER-GLC_ligand.pdbqt | data/2A/2AER-GLC/2AER-GLC_target.pdbqt | data/2A/2AER-GLC/2AER-GLC_decoys.pdbqt | data/2A/2AER-GLC/2AER-GLC_decoy_scores.csv |
2A0S-BIO | data/2A/2A0S-BIO/2A0S-BIO_ligand.pdbqt | data/2A/2A0S-BIO/2A0S-BIO_target.pdbqt | data/2A/2A0S-BIO/2A0S-BIO_decoys.pdbqt | data/2A/2A0S-BIO/2A0S-BIO_decoy_scores.csv |
2AG5-NAD | data/2A/2AG5-NAD/2AG5-NAD_ligand.pdbqt | data/2A/2AG5-NAD/2AG5-NAD_target.pdbqt | data/2A/2AG5-NAD/2AG5-NAD_decoys.pdbqt | data/2A/2AG5-NAD/2AG5-NAD_decoy_scores.csv |
2AWX-HIS | data/2A/2AWX-HIS/2AWX-HIS_ligand.pdbqt | data/2A/2AWX-HIS/2AWX-HIS_target.pdbqt | data/2A/2AWX-HIS/2AWX-HIS_decoys.pdbqt | data/2A/2AWX-HIS/2AWX-HIS_decoy_scores.csv |
2AC7-ADN | data/2A/2AC7-ADN/2AC7-ADN_ligand.pdbqt | data/2A/2AC7-ADN/2AC7-ADN_target.pdbqt | data/2A/2AC7-ADN/2AC7-ADN_decoys.pdbqt | data/2A/2AC7-ADN/2AC7-ADN_decoy_scores.csv |
2AZZ-TCH | data/2A/2AZZ-TCH/2AZZ-TCH_ligand.pdbqt | data/2A/2AZZ-TCH/2AZZ-TCH_target.pdbqt | data/2A/2AZZ-TCH/2AZZ-TCH_decoys.pdbqt | data/2A/2AZZ-TCH/2AZZ-TCH_decoy_scores.csv |
2A4T-R7A | data/2A/2A4T-R7A/2A4T-R7A_ligand.pdbqt | data/2A/2A4T-R7A/2A4T-R7A_target.pdbqt | data/2A/2A4T-R7A/2A4T-R7A_decoys.pdbqt | data/2A/2A4T-R7A/2A4T-R7A_decoy_scores.csv |
2AF9-DAO | data/2A/2AF9-DAO/2AF9-DAO_ligand.pdbqt | data/2A/2AF9-DAO/2AF9-DAO_target.pdbqt | data/2A/2AF9-DAO/2AF9-DAO_decoys.pdbqt | data/2A/2AF9-DAO/2AF9-DAO_decoy_scores.csv |
2AQ8-NAI | data/2A/2AQ8-NAI/2AQ8-NAI_ligand.pdbqt | data/2A/2AQ8-NAI/2AQ8-NAI_target.pdbqt | data/2A/2AQ8-NAI/2AQ8-NAI_decoys.pdbqt | data/2A/2AQ8-NAI/2AQ8-NAI_decoy_scores.csv |
2A8H-4NH | data/2A/2A8H-4NH/2A8H-4NH_ligand.pdbqt | data/2A/2A8H-4NH/2A8H-4NH_target.pdbqt | data/2A/2A8H-4NH/2A8H-4NH_decoys.pdbqt | data/2A/2A8H-4NH/2A8H-4NH_decoy_scores.csv |
2AVD-SAM | data/2A/2AVD-SAM/2AVD-SAM_ligand.pdbqt | data/2A/2AVD-SAM/2AVD-SAM_target.pdbqt | data/2A/2AVD-SAM/2AVD-SAM_decoys.pdbqt | data/2A/2AVD-SAM/2AVD-SAM_decoy_scores.csv |
2AGV-BHQ | data/2A/2AGV-BHQ/2AGV-BHQ_ligand.pdbqt | data/2A/2AGV-BHQ/2AGV-BHQ_target.pdbqt | data/2A/2AGV-BHQ/2AGV-BHQ_decoys.pdbqt | data/2A/2AGV-BHQ/2AGV-BHQ_decoy_scores.csv |
2AQK-NAI | data/2A/2AQK-NAI/2AQK-NAI_ligand.pdbqt | data/2A/2AQK-NAI/2AQK-NAI_target.pdbqt | data/2A/2AQK-NAI/2AQK-NAI_decoys.pdbqt | data/2A/2AQK-NAI/2AQK-NAI_decoy_scores.csv |
2AX1-5EE | data/2A/2AX1-5EE/2AX1-5EE_ligand.pdbqt | data/2A/2AX1-5EE/2AX1-5EE_target.pdbqt | data/2A/2AX1-5EE/2AX1-5EE_decoys.pdbqt | data/2A/2AX1-5EE/2AX1-5EE_decoy_scores.csv |
2ARC-ARA | data/2A/2ARC-ARA/2ARC-ARA_ligand.pdbqt | data/2A/2ARC-ARA/2ARC-ARA_target.pdbqt | data/2A/2ARC-ARA/2ARC-ARA_decoys.pdbqt | data/2A/2ARC-ARA/2ARC-ARA_decoy_scores.csv |
2AX6-HFT | data/2A/2AX6-HFT/2AX6-HFT_ligand.pdbqt | data/2A/2AX6-HFT/2AX6-HFT_target.pdbqt | data/2A/2AX6-HFT/2AX6-HFT_decoys.pdbqt | data/2A/2AX6-HFT/2AX6-HFT_decoy_scores.csv |
2A9W-GA9 | data/2A/2A9W-GA9/2A9W-GA9_ligand.pdbqt | data/2A/2A9W-GA9/2A9W-GA9_target.pdbqt | data/2A/2A9W-GA9/2A9W-GA9_decoys.pdbqt | data/2A/2A9W-GA9/2A9W-GA9_decoy_scores.csv |
2A3U-MA4 | data/2A/2A3U-MA4/2A3U-MA4_ligand.pdbqt | data/2A/2A3U-MA4/2A3U-MA4_target.pdbqt | data/2A/2A3U-MA4/2A3U-MA4_decoys.pdbqt | data/2A/2A3U-MA4/2A3U-MA4_decoy_scores.csv |
2AG4-LP3 | data/2A/2AG4-LP3/2AG4-LP3_ligand.pdbqt | data/2A/2AG4-LP3/2AG4-LP3_target.pdbqt | data/2A/2AG4-LP3/2AG4-LP3_decoys.pdbqt | data/2A/2AG4-LP3/2AG4-LP3_decoy_scores.csv |
2AH2-FSI | data/2A/2AH2-FSI/2AH2-FSI_ligand.pdbqt | data/2A/2AH2-FSI/2AH2-FSI_target.pdbqt | data/2A/2AH2-FSI/2AH2-FSI_decoys.pdbqt | data/2A/2AH2-FSI/2AH2-FSI_decoy_scores.csv |
2A1Y-5GP | data/2A/2A1Y-5GP/2A1Y-5GP_ligand.pdbqt | data/2A/2A1Y-5GP/2A1Y-5GP_target.pdbqt | data/2A/2A1Y-5GP/2A1Y-5GP_decoys.pdbqt | data/2A/2A1Y-5GP/2A1Y-5GP_decoy_scores.csv |
2A3C-PNX | data/2A/2A3C-PNX/2A3C-PNX_ligand.pdbqt | data/2A/2A3C-PNX/2A3C-PNX_target.pdbqt | data/2A/2A3C-PNX/2A3C-PNX_decoys.pdbqt | data/2A/2A3C-PNX/2A3C-PNX_decoy_scores.csv |
2AQJ-TRP | data/2A/2AQJ-TRP/2AQJ-TRP_ligand.pdbqt | data/2A/2AQJ-TRP/2AQJ-TRP_target.pdbqt | data/2A/2AQJ-TRP/2AQJ-TRP_decoys.pdbqt | data/2A/2AQJ-TRP/2AQJ-TRP_decoy_scores.csv |
2AI8-SB7 | data/2A/2AI8-SB7/2AI8-SB7_ligand.pdbqt | data/2A/2AI8-SB7/2AI8-SB7_target.pdbqt | data/2A/2AI8-SB7/2AI8-SB7_decoys.pdbqt | data/2A/2AI8-SB7/2AI8-SB7_decoy_scores.csv |
2A99-MTE | data/2A/2A99-MTE/2A99-MTE_ligand.pdbqt | data/2A/2A99-MTE/2A99-MTE_target.pdbqt | null | null |
2AIR-AL0 | data/2A/2AIR-AL0/2AIR-AL0_ligand.pdbqt | data/2A/2AIR-AL0/2AIR-AL0_target.pdbqt | data/2A/2AIR-AL0/2AIR-AL0_decoys.pdbqt | data/2A/2AIR-AL0/2AIR-AL0_decoy_scores.csv |
2AJX-TGN | data/2A/2AJX-TGN/2AJX-TGN_ligand.pdbqt | data/2A/2AJX-TGN/2AJX-TGN_target.pdbqt | data/2A/2AJX-TGN/2AJX-TGN_decoys.pdbqt | data/2A/2AJX-TGN/2AJX-TGN_decoy_scores.csv |
2AAY-GPJ | data/2A/2AAY-GPJ/2AAY-GPJ_ligand.pdbqt | data/2A/2AAY-GPJ/2AAY-GPJ_target.pdbqt | data/2A/2AAY-GPJ/2AAY-GPJ_decoys.pdbqt | data/2A/2AAY-GPJ/2AAY-GPJ_decoy_scores.csv |
2A9K-GDP | data/2A/2A9K-GDP/2A9K-GDP_ligand.pdbqt | data/2A/2A9K-GDP/2A9K-GDP_target.pdbqt | data/2A/2A9K-GDP/2A9K-GDP_decoys.pdbqt | data/2A/2A9K-GDP/2A9K-GDP_decoy_scores.csv |
2AI2-P1D | data/2A/2AI2-P1D/2AI2-P1D_ligand.pdbqt | data/2A/2AI2-P1D/2AI2-P1D_target.pdbqt | data/2A/2AI2-P1D/2AI2-P1D_decoys.pdbqt | data/2A/2AI2-P1D/2AI2-P1D_decoy_scores.csv |
2AN3-CTL | data/2A/2AN3-CTL/2AN3-CTL_ligand.pdbqt | data/2A/2AN3-CTL/2AN3-CTL_target.pdbqt | data/2A/2AN3-CTL/2AN3-CTL_decoys.pdbqt | data/2A/2AN3-CTL/2AN3-CTL_decoy_scores.csv |
2A5I-AZP | data/2A/2A5I-AZP/2A5I-AZP_ligand.pdbqt | data/2A/2A5I-AZP/2A5I-AZP_target.pdbqt | data/2A/2A5I-AZP/2A5I-AZP_decoys.pdbqt | data/2A/2A5I-AZP/2A5I-AZP_decoy_scores.csv |
2AY9-5PV | data/2A/2AY9-5PV/2AY9-5PV_ligand.pdbqt | data/2A/2AY9-5PV/2AY9-5PV_target.pdbqt | data/2A/2AY9-5PV/2AY9-5PV_decoys.pdbqt | data/2A/2AY9-5PV/2AY9-5PV_decoy_scores.csv |
2ATZ-DGT | data/2A/2ATZ-DGT/2ATZ-DGT_ligand.pdbqt | data/2A/2ATZ-DGT/2ATZ-DGT_target.pdbqt | data/2A/2ATZ-DGT/2ATZ-DGT_decoys.pdbqt | data/2A/2ATZ-DGT/2ATZ-DGT_decoy_scores.csv |
2A5H-SAM | data/2A/2A5H-SAM/2A5H-SAM_ligand.pdbqt | data/2A/2A5H-SAM/2A5H-SAM_target.pdbqt | data/2A/2A5H-SAM/2A5H-SAM_decoys.pdbqt | data/2A/2A5H-SAM/2A5H-SAM_decoy_scores.csv |
2ASC-DR0 | data/2A/2ASC-DR0/2ASC-DR0_ligand.pdbqt | data/2A/2ASC-DR0/2ASC-DR0_target.pdbqt | data/2A/2ASC-DR0/2ASC-DR0_decoys.pdbqt | data/2A/2ASC-DR0/2ASC-DR0_decoy_scores.csv |
2AX8-FHM | data/2A/2AX8-FHM/2AX8-FHM_ligand.pdbqt | data/2A/2AX8-FHM/2AX8-FHM_target.pdbqt | data/2A/2AX8-FHM/2AX8-FHM_decoys.pdbqt | data/2A/2AX8-FHM/2AX8-FHM_decoy_scores.csv |
2AB2-SNL | data/2A/2AB2-SNL/2AB2-SNL_ligand.pdbqt | data/2A/2AB2-SNL/2AB2-SNL_target.pdbqt | data/2A/2AB2-SNL/2AB2-SNL_decoys.pdbqt | data/2A/2AB2-SNL/2AB2-SNL_decoy_scores.csv |
2AQB-TL6 | data/2A/2AQB-TL6/2AQB-TL6_ligand.pdbqt | data/2A/2AQB-TL6/2AQB-TL6_target.pdbqt | data/2A/2AQB-TL6/2AQB-TL6_decoys.pdbqt | data/2A/2AQB-TL6/2AQB-TL6_decoy_scores.csv |
2AMT-1AA | data/2A/2AMT-1AA/2AMT-1AA_ligand.pdbqt | data/2A/2AMT-1AA/2AMT-1AA_target.pdbqt | data/2A/2AMT-1AA/2AMT-1AA_decoys.pdbqt | data/2A/2AMT-1AA/2AMT-1AA_decoy_scores.csv |
2AYW-BEN | data/2A/2AYW-BEN/2AYW-BEN_ligand.pdbqt | data/2A/2AYW-BEN/2AYW-BEN_target.pdbqt | data/2A/2AYW-BEN/2AYW-BEN_decoys.pdbqt | data/2A/2AYW-BEN/2AYW-BEN_decoy_scores.csv |
2AAZ-CB3 | data/2A/2AAZ-CB3/2AAZ-CB3_ligand.pdbqt | data/2A/2AAZ-CB3/2AAZ-CB3_target.pdbqt | data/2A/2AAZ-CB3/2AAZ-CB3_decoys.pdbqt | data/2A/2AAZ-CB3/2AAZ-CB3_decoy_scores.csv |
2A85-HOC | data/2A/2A85-HOC/2A85-HOC_ligand.pdbqt | data/2A/2A85-HOC/2A85-HOC_target.pdbqt | data/2A/2A85-HOC/2A85-HOC_decoys.pdbqt | data/2A/2A85-HOC/2A85-HOC_decoy_scores.csv |
2AAW-GTX | data/2A/2AAW-GTX/2AAW-GTX_ligand.pdbqt | data/2A/2AAW-GTX/2AAW-GTX_target.pdbqt | data/2A/2AAW-GTX/2AAW-GTX_decoys.pdbqt | data/2A/2AAW-GTX/2AAW-GTX_decoy_scores.csv |
2ARV-1PG | data/2A/2ARV-1PG/2ARV-1PG_ligand.pdbqt | data/2A/2ARV-1PG/2ARV-1PG_target.pdbqt | data/2A/2ARV-1PG/2ARV-1PG_decoys.pdbqt | data/2A/2ARV-1PG/2ARV-1PG_decoy_scores.csv |
2A0W-DIH | data/2A/2A0W-DIH/2A0W-DIH_ligand.pdbqt | data/2A/2A0W-DIH/2A0W-DIH_target.pdbqt | data/2A/2A0W-DIH/2A0W-DIH_decoys.pdbqt | data/2A/2A0W-DIH/2A0W-DIH_decoy_scores.csv |
2AFH-HCA | data/2A/2AFH-HCA/2AFH-HCA_ligand.pdbqt | data/2A/2AFH-HCA/2AFH-HCA_target.pdbqt | null | null |
2AJP-ANP | data/2A/2AJP-ANP/2AJP-ANP_ligand.pdbqt | data/2A/2AJP-ANP/2AJP-ANP_target.pdbqt | data/2A/2AJP-ANP/2AJP-ANP_decoys.pdbqt | data/2A/2AJP-ANP/2AJP-ANP_decoy_scores.csv |
2ASO-ATP | data/2A/2ASO-ATP/2ASO-ATP_ligand.pdbqt | data/2A/2ASO-ATP/2ASO-ATP_target.pdbqt | data/2A/2ASO-ATP/2ASO-ATP_decoys.pdbqt | data/2A/2ASO-ATP/2ASO-ATP_decoy_scores.csv |
2A92-NAI | data/2A/2A92-NAI/2A92-NAI_ligand.pdbqt | data/2A/2A92-NAI/2A92-NAI_target.pdbqt | data/2A/2A92-NAI/2A92-NAI_decoys.pdbqt | data/2A/2A92-NAI/2A92-NAI_decoy_scores.csv |
2AIO-MX1 | data/2A/2AIO-MX1/2AIO-MX1_ligand.pdbqt | data/2A/2AIO-MX1/2AIO-MX1_target.pdbqt | data/2A/2AIO-MX1/2AIO-MX1_decoys.pdbqt | data/2A/2AIO-MX1/2AIO-MX1_decoy_scores.csv |
2A7P-FMN | data/2A/2A7P-FMN/2A7P-FMN_ligand.pdbqt | data/2A/2A7P-FMN/2A7P-FMN_target.pdbqt | data/2A/2A7P-FMN/2A7P-FMN_decoys.pdbqt | data/2A/2A7P-FMN/2A7P-FMN_decoy_scores.csv |
2AFX-1BN | data/2A/2AFX-1BN/2AFX-1BN_ligand.pdbqt | data/2A/2AFX-1BN/2AFX-1BN_target.pdbqt | data/2A/2AFX-1BN/2AFX-1BN_decoys.pdbqt | data/2A/2AFX-1BN/2AFX-1BN_decoy_scores.csv |
2AM3-UPG | data/2A/2AM3-UPG/2AM3-UPG_ligand.pdbqt | data/2A/2AM3-UPG/2AM3-UPG_target.pdbqt | data/2A/2AM3-UPG/2AM3-UPG_decoys.pdbqt | data/2A/2AM3-UPG/2AM3-UPG_decoy_scores.csv |
2AER-FUC | data/2A/2AER-FUC/2AER-FUC_ligand.pdbqt | data/2A/2AER-FUC/2AER-FUC_target.pdbqt | data/2A/2AER-FUC/2AER-FUC_decoys.pdbqt | data/2A/2AER-FUC/2AER-FUC_decoy_scores.csv |
2A2I-PEP | data/2A/2A2I-PEP/2A2I-PEP_ligand.pdbqt | data/2A/2A2I-PEP/2A2I-PEP_target.pdbqt | data/2A/2A2I-PEP/2A2I-PEP_decoys.pdbqt | data/2A/2A2I-PEP/2A2I-PEP_decoy_scores.csv |
2AQI-NAI | data/2A/2AQI-NAI/2AQI-NAI_ligand.pdbqt | data/2A/2AQI-NAI/2AQI-NAI_target.pdbqt | data/2A/2AQI-NAI/2AQI-NAI_decoys.pdbqt | data/2A/2AQI-NAI/2AQI-NAI_decoy_scores.csv |
2A4G-UNH | data/2A/2A4G-UNH/2A4G-UNH_ligand.pdbqt | data/2A/2A4G-UNH/2A4G-UNH_target.pdbqt | data/2A/2A4G-UNH/2A4G-UNH_decoys.pdbqt | data/2A/2A4G-UNH/2A4G-UNH_decoy_scores.csv |
2AIA-SB8 | data/2A/2AIA-SB8/2AIA-SB8_ligand.pdbqt | data/2A/2AIA-SB8/2AIA-SB8_target.pdbqt | data/2A/2AIA-SB8/2AIA-SB8_decoys.pdbqt | data/2A/2AIA-SB8/2AIA-SB8_decoy_scores.csv |
2ABB-FMN | data/2A/2ABB-FMN/2ABB-FMN_ligand.pdbqt | data/2A/2ABB-FMN/2ABB-FMN_target.pdbqt | data/2A/2ABB-FMN/2ABB-FMN_decoys.pdbqt | data/2A/2ABB-FMN/2ABB-FMN_decoy_scores.csv |
2A84-ATP | data/2A/2A84-ATP/2A84-ATP_ligand.pdbqt | data/2A/2A84-ATP/2A84-ATP_target.pdbqt | data/2A/2A84-ATP/2A84-ATP_decoys.pdbqt | data/2A/2A84-ATP/2A84-ATP_decoy_scores.csv |
2AQX-ATP | data/2A/2AQX-ATP/2AQX-ATP_ligand.pdbqt | data/2A/2AQX-ATP/2AQX-ATP_target.pdbqt | data/2A/2AQX-ATP/2AQX-ATP_decoys.pdbqt | data/2A/2AQX-ATP/2AQX-ATP_decoy_scores.csv |
2AXI-MPO | data/2A/2AXI-MPO/2AXI-MPO_ligand.pdbqt | data/2A/2AXI-MPO/2AXI-MPO_target.pdbqt | data/2A/2AXI-MPO/2AXI-MPO_decoys.pdbqt | data/2A/2AXI-MPO/2AXI-MPO_decoy_scores.csv |
2ATH-3EA | data/2A/2ATH-3EA/2ATH-3EA_ligand.pdbqt | data/2A/2ATH-3EA/2ATH-3EA_target.pdbqt | data/2A/2ATH-3EA/2ATH-3EA_decoys.pdbqt | data/2A/2ATH-3EA/2ATH-3EA_decoy_scores.csv |
2ALV-CY6 | data/2A/2ALV-CY6/2ALV-CY6_ligand.pdbqt | data/2A/2ALV-CY6/2ALV-CY6_target.pdbqt | data/2A/2ALV-CY6/2ALV-CY6_decoys.pdbqt | data/2A/2ALV-CY6/2ALV-CY6_decoy_scores.csv |
2AGZ-TSC | data/2A/2AGZ-TSC/2AGZ-TSC_ligand.pdbqt | data/2A/2AGZ-TSC/2AGZ-TSC_target.pdbqt | data/2A/2AGZ-TSC/2AGZ-TSC_decoys.pdbqt | data/2A/2AGZ-TSC/2AGZ-TSC_decoy_scores.csv |
2AKO-ADP | data/2A/2AKO-ADP/2AKO-ADP_ligand.pdbqt | data/2A/2AKO-ADP/2AKO-ADP_target.pdbqt | data/2A/2AKO-ADP/2AKO-ADP_decoys.pdbqt | data/2A/2AKO-ADP/2AKO-ADP_decoy_scores.csv |
2A2Q-GLC | data/2A/2A2Q-GLC/2A2Q-GLC_ligand.pdbqt | data/2A/2A2Q-GLC/2A2Q-GLC_target.pdbqt | data/2A/2A2Q-GLC/2A2Q-GLC_decoys.pdbqt | data/2A/2A2Q-GLC/2A2Q-GLC_decoy_scores.csv |
2A1O-CAM | data/2A/2A1O-CAM/2A1O-CAM_ligand.pdbqt | data/2A/2A1O-CAM/2A1O-CAM_target.pdbqt | data/2A/2A1O-CAM/2A1O-CAM_decoys.pdbqt | data/2A/2A1O-CAM/2A1O-CAM_decoy_scores.csv |
2ACQ-G6P | data/2A/2ACQ-G6P/2ACQ-G6P_ligand.pdbqt | data/2A/2ACQ-G6P/2ACQ-G6P_target.pdbqt | data/2A/2ACQ-G6P/2ACQ-G6P_decoys.pdbqt | data/2A/2ACQ-G6P/2ACQ-G6P_decoy_scores.csv |
2AOT-2PM | data/2A/2AOT-2PM/2AOT-2PM_ligand.pdbqt | data/2A/2AOT-2PM/2AOT-2PM_target.pdbqt | data/2A/2AOT-2PM/2AOT-2PM_decoys.pdbqt | data/2A/2AOT-2PM/2AOT-2PM_decoy_scores.csv |
2AVV-MK1 | data/2A/2AVV-MK1/2AVV-MK1_ligand.pdbqt | data/2A/2AVV-MK1/2AVV-MK1_target.pdbqt | data/2A/2AVV-MK1/2AVV-MK1_decoys.pdbqt | data/2A/2AVV-MK1/2AVV-MK1_decoy_scores.csv |
2ANY-BEN | data/2A/2ANY-BEN/2ANY-BEN_ligand.pdbqt | data/2A/2ANY-BEN/2ANY-BEN_target.pdbqt | data/2A/2ANY-BEN/2ANY-BEN_decoys.pdbqt | data/2A/2ANY-BEN/2ANY-BEN_decoy_scores.csv |
2A5C-8DA | data/2A/2A5C-8DA/2A5C-8DA_ligand.pdbqt | data/2A/2A5C-8DA/2A5C-8DA_target.pdbqt | data/2A/2A5C-8DA/2A5C-8DA_decoys.pdbqt | data/2A/2A5C-8DA/2A5C-8DA_decoy_scores.csv |
2AST-BEN | data/2A/2AST-BEN/2AST-BEN_ligand.pdbqt | data/2A/2AST-BEN/2AST-BEN_target.pdbqt | data/2A/2AST-BEN/2AST-BEN_decoys.pdbqt | data/2A/2AST-BEN/2AST-BEN_decoy_scores.csv |
2A5K-AZP | data/2A/2A5K-AZP/2A5K-AZP_ligand.pdbqt | data/2A/2A5K-AZP/2A5K-AZP_target.pdbqt | data/2A/2A5K-AZP/2A5K-AZP_decoys.pdbqt | data/2A/2A5K-AZP/2A5K-AZP_decoy_scores.csv |
2AN4-OTR | data/2A/2AN4-OTR/2AN4-OTR_ligand.pdbqt | data/2A/2AN4-OTR/2AN4-OTR_target.pdbqt | data/2A/2AN4-OTR/2AN4-OTR_decoys.pdbqt | data/2A/2AN4-OTR/2AN4-OTR_decoy_scores.csv |
2ADA-HPR | data/2A/2ADA-HPR/2ADA-HPR_ligand.pdbqt | data/2A/2ADA-HPR/2ADA-HPR_target.pdbqt | data/2A/2ADA-HPR/2ADA-HPR_decoys.pdbqt | data/2A/2ADA-HPR/2ADA-HPR_decoy_scores.csv |
2AG2-DAO | data/2A/2AG2-DAO/2AG2-DAO_ligand.pdbqt | data/2A/2AG2-DAO/2AG2-DAO_target.pdbqt | data/2A/2AG2-DAO/2AG2-DAO_decoys.pdbqt | data/2A/2AG2-DAO/2AG2-DAO_decoy_scores.csv |
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