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 ⌀ |
|---|---|---|---|---|
3RFB-SME | data/3R/3RFB-SME/3RFB-SME_ligand.pdbqt | data/3R/3RFB-SME/3RFB-SME_target.pdbqt | data/3R/3RFB-SME/3RFB-SME_decoys.pdbqt | data/3R/3RFB-SME/3RFB-SME_decoy_scores.csv |
3R33-6ME | data/3R/3R33-6ME/3R33-6ME_ligand.pdbqt | data/3R/3R33-6ME/3R33-6ME_target.pdbqt | data/3R/3R33-6ME/3R33-6ME_decoys.pdbqt | data/3R/3R33-6ME/3R33-6ME_decoy_scores.csv |
3RSG-NAD | data/3R/3RSG-NAD/3RSG-NAD_ligand.pdbqt | data/3R/3RSG-NAD/3RSG-NAD_target.pdbqt | data/3R/3RSG-NAD/3RSG-NAD_decoys.pdbqt | data/3R/3RSG-NAD/3RSG-NAD_decoy_scores.csv |
3R6T-LU1 | data/3R/3R6T-LU1/3R6T-LU1_ligand.pdbqt | data/3R/3R6T-LU1/3R6T-LU1_target.pdbqt | data/3R/3R6T-LU1/3R6T-LU1_decoys.pdbqt | data/3R/3R6T-LU1/3R6T-LU1_decoy_scores.csv |
3R97-NHE | data/3R/3R97-NHE/3R97-NHE_ligand.pdbqt | data/3R/3R97-NHE/3R97-NHE_target.pdbqt | data/3R/3R97-NHE/3R97-NHE_decoys.pdbqt | data/3R/3R97-NHE/3R97-NHE_decoy_scores.csv |
3RYJ-RYJ | data/3R/3RYJ-RYJ/3RYJ-RYJ_ligand.pdbqt | data/3R/3RYJ-RYJ/3RYJ-RYJ_target.pdbqt | data/3R/3RYJ-RYJ/3RYJ-RYJ_decoys.pdbqt | data/3R/3RYJ-RYJ/3RYJ-RYJ_decoy_scores.csv |
3R1S-X73 | data/3R/3R1S-X73/3R1S-X73_ligand.pdbqt | data/3R/3R1S-X73/3R1S-X73_target.pdbqt | data/3R/3R1S-X73/3R1S-X73_decoys.pdbqt | data/3R/3R1S-X73/3R1S-X73_decoy_scores.csv |
3R9V-DXC | data/3R/3R9V-DXC/3R9V-DXC_ligand.pdbqt | data/3R/3R9V-DXC/3R9V-DXC_target.pdbqt | data/3R/3R9V-DXC/3R9V-DXC_decoys.pdbqt | data/3R/3R9V-DXC/3R9V-DXC_decoy_scores.csv |
3RDC-EA4 | data/3R/3RDC-EA4/3RDC-EA4_ligand.pdbqt | data/3R/3RDC-EA4/3RDC-EA4_target.pdbqt | data/3R/3RDC-EA4/3RDC-EA4_decoys.pdbqt | data/3R/3RDC-EA4/3RDC-EA4_decoy_scores.csv |
3R8H-ZOM | data/3R/3R8H-ZOM/3R8H-ZOM_ligand.pdbqt | data/3R/3R8H-ZOM/3R8H-ZOM_target.pdbqt | data/3R/3R8H-ZOM/3R8H-ZOM_decoys.pdbqt | data/3R/3R8H-ZOM/3R8H-ZOM_decoy_scores.csv |
3RPZ-AMP | data/3R/3RPZ-AMP/3RPZ-AMP_ligand.pdbqt | data/3R/3RPZ-AMP/3RPZ-AMP_target.pdbqt | data/3R/3RPZ-AMP/3RPZ-AMP_decoys.pdbqt | data/3R/3RPZ-AMP/3RPZ-AMP_decoy_scores.csv |
3R59-3AO | data/3R/3R59-3AO/3R59-3AO_ligand.pdbqt | data/3R/3R59-3AO/3R59-3AO_target.pdbqt | data/3R/3R59-3AO/3R59-3AO_decoys.pdbqt | data/3R/3R59-3AO/3R59-3AO_decoy_scores.csv |
3RVB-I79 | data/3R/3RVB-I79/3RVB-I79_ligand.pdbqt | data/3R/3RVB-I79/3RVB-I79_target.pdbqt | data/3R/3RVB-I79/3RVB-I79_decoys.pdbqt | data/3R/3RVB-I79/3RVB-I79_decoy_scores.csv |
3RQP-X2E | data/3R/3RQP-X2E/3RQP-X2E_ligand.pdbqt | data/3R/3RQP-X2E/3RQP-X2E_target.pdbqt | null | null |
3RZ5-RZ5 | data/3R/3RZ5-RZ5/3RZ5-RZ5_ligand.pdbqt | data/3R/3RZ5-RZ5/3RZ5-RZ5_target.pdbqt | data/3R/3RZ5-RZ5/3RZ5-RZ5_decoys.pdbqt | data/3R/3RZ5-RZ5/3RZ5-RZ5_decoy_scores.csv |
3RW9-DSH | data/3R/3RW9-DSH/3RW9-DSH_ligand.pdbqt | data/3R/3RW9-DSH/3RW9-DSH_target.pdbqt | data/3R/3RW9-DSH/3RW9-DSH_decoys.pdbqt | data/3R/3RW9-DSH/3RW9-DSH_decoy_scores.csv |
3RUA-NAD | data/3R/3RUA-NAD/3RUA-NAD_ligand.pdbqt | data/3R/3RUA-NAD/3RUA-NAD_target.pdbqt | data/3R/3RUA-NAD/3RUA-NAD_decoys.pdbqt | data/3R/3RUA-NAD/3RUA-NAD_decoy_scores.csv |
3ROU-CMP | data/3R/3ROU-CMP/3ROU-CMP_ligand.pdbqt | data/3R/3ROU-CMP/3ROU-CMP_target.pdbqt | data/3R/3ROU-CMP/3ROU-CMP_decoys.pdbqt | data/3R/3ROU-CMP/3ROU-CMP_decoy_scores.csv |
3RYK-TYD | data/3R/3RYK-TYD/3RYK-TYD_ligand.pdbqt | data/3R/3RYK-TYD/3RYK-TYD_target.pdbqt | data/3R/3RYK-TYD/3RYK-TYD_decoys.pdbqt | data/3R/3RYK-TYD/3RYK-TYD_decoy_scores.csv |
3RM8-RM8 | data/3R/3RM8-RM8/3RM8-RM8_ligand.pdbqt | data/3R/3RM8-RM8/3RM8-RM8_target.pdbqt | data/3R/3RM8-RM8/3RM8-RM8_decoys.pdbqt | data/3R/3RM8-RM8/3RM8-RM8_decoy_scores.csv |
3ROE-THM | data/3R/3ROE-THM/3ROE-THM_ligand.pdbqt | data/3R/3ROE-THM/3ROE-THM_target.pdbqt | data/3R/3ROE-THM/3ROE-THM_decoys.pdbqt | data/3R/3ROE-THM/3ROE-THM_decoy_scores.csv |
3RUF-NAD | data/3R/3RUF-NAD/3RUF-NAD_ligand.pdbqt | data/3R/3RUF-NAD/3RUF-NAD_target.pdbqt | data/3R/3RUF-NAD/3RUF-NAD_decoys.pdbqt | data/3R/3RUF-NAD/3RUF-NAD_decoy_scores.csv |
3R72-NBB | data/3R/3R72-NBB/3R72-NBB_ligand.pdbqt | data/3R/3R72-NBB/3R72-NBB_target.pdbqt | data/3R/3R72-NBB/3R72-NBB_decoys.pdbqt | data/3R/3R72-NBB/3R72-NBB_decoy_scores.csv |
3REF-GDP | data/3R/3REF-GDP/3REF-GDP_ligand.pdbqt | data/3R/3REF-GDP/3REF-GDP_target.pdbqt | data/3R/3REF-GDP/3REF-GDP_decoys.pdbqt | data/3R/3REF-GDP/3REF-GDP_decoy_scores.csv |
3R24-SAM | data/3R/3R24-SAM/3R24-SAM_ligand.pdbqt | data/3R/3R24-SAM/3R24-SAM_target.pdbqt | data/3R/3R24-SAM/3R24-SAM_decoys.pdbqt | data/3R/3R24-SAM/3R24-SAM_decoy_scores.csv |
3RHX-3RH | data/3R/3RHX-3RH/3RHX-3RH_ligand.pdbqt | data/3R/3RHX-3RH/3RHX-3RH_target.pdbqt | data/3R/3RHX-3RH/3RHX-3RH_decoys.pdbqt | data/3R/3RHX-3RH/3RHX-3RH_decoy_scores.csv |
3R1V-AZB | data/3R/3R1V-AZB/3R1V-AZB_ligand.pdbqt | data/3R/3R1V-AZB/3R1V-AZB_target.pdbqt | data/3R/3R1V-AZB/3R1V-AZB_decoys.pdbqt | data/3R/3R1V-AZB/3R1V-AZB_decoy_scores.csv |
3R6X-X84 | data/3R/3R6X-X84/3R6X-X84_ligand.pdbqt | data/3R/3R6X-X84/3R6X-X84_target.pdbqt | data/3R/3R6X-X84/3R6X-X84_decoys.pdbqt | data/3R/3R6X-X84/3R6X-X84_decoy_scores.csv |
3R4N-FU5 | data/3R/3R4N-FU5/3R4N-FU5_ligand.pdbqt | data/3R/3R4N-FU5/3R4N-FU5_target.pdbqt | data/3R/3R4N-FU5/3R4N-FU5_decoys.pdbqt | data/3R/3R4N-FU5/3R4N-FU5_decoy_scores.csv |
3R1Y-X76 | data/3R/3R1Y-X76/3R1Y-X76_ligand.pdbqt | data/3R/3R1Y-X76/3R1Y-X76_target.pdbqt | data/3R/3R1Y-X76/3R1Y-X76_decoys.pdbqt | data/3R/3R1Y-X76/3R1Y-X76_decoy_scores.csv |
3RRY-GNP | data/3R/3RRY-GNP/3RRY-GNP_ligand.pdbqt | data/3R/3RRY-GNP/3RRY-GNP_target.pdbqt | data/3R/3RRY-GNP/3RRY-GNP_decoys.pdbqt | data/3R/3RRY-GNP/3RRY-GNP_decoy_scores.csv |
3RT8-CWD | data/3R/3RT8-CWD/3RT8-CWD_ligand.pdbqt | data/3R/3RT8-CWD/3RT8-CWD_target.pdbqt | data/3R/3RT8-CWD/3RT8-CWD_decoys.pdbqt | data/3R/3RT8-CWD/3RT8-CWD_decoy_scores.csv |
3R1M-13P | data/3R/3R1M-13P/3R1M-13P_ligand.pdbqt | data/3R/3R1M-13P/3R1M-13P_target.pdbqt | data/3R/3R1M-13P/3R1M-13P_decoys.pdbqt | data/3R/3R1M-13P/3R1M-13P_decoy_scores.csv |
3RX2-SLO | data/3R/3RX2-SLO/3RX2-SLO_ligand.pdbqt | data/3R/3RX2-SLO/3RX2-SLO_target.pdbqt | data/3R/3RX2-SLO/3RX2-SLO_decoys.pdbqt | data/3R/3RX2-SLO/3RX2-SLO_decoy_scores.csv |
3RQ2-AMP | data/3R/3RQ2-AMP/3RQ2-AMP_ligand.pdbqt | data/3R/3RQ2-AMP/3RQ2-AMP_target.pdbqt | data/3R/3RQ2-AMP/3RQ2-AMP_decoys.pdbqt | data/3R/3RQ2-AMP/3RQ2-AMP_decoy_scores.csv |
3R18-MTE | data/3R/3R18-MTE/3R18-MTE_ligand.pdbqt | data/3R/3R18-MTE/3R18-MTE_target.pdbqt | null | null |
3R7V-Z02 | data/3R/3R7V-Z02/3R7V-Z02_ligand.pdbqt | data/3R/3R7V-Z02/3R7V-Z02_target.pdbqt | data/3R/3R7V-Z02/3R7V-Z02_decoys.pdbqt | data/3R/3R7V-Z02/3R7V-Z02_decoy_scores.csv |
3RM7-19Z | data/3R/3RM7-19Z/3RM7-19Z_ligand.pdbqt | data/3R/3RM7-19Z/3RM7-19Z_target.pdbqt | data/3R/3RM7-19Z/3RM7-19Z_decoys.pdbqt | data/3R/3RM7-19Z/3RM7-19Z_decoy_scores.csv |
3RM6-18Z | data/3R/3RM6-18Z/3RM6-18Z_ligand.pdbqt | data/3R/3RM6-18Z/3RM6-18Z_target.pdbqt | data/3R/3RM6-18Z/3RM6-18Z_decoys.pdbqt | data/3R/3RM6-18Z/3RM6-18Z_decoy_scores.csv |
3RXI-TSS | data/3R/3RXI-TSS/3RXI-TSS_ligand.pdbqt | data/3R/3RXI-TSS/3RXI-TSS_target.pdbqt | data/3R/3RXI-TSS/3RXI-TSS_decoys.pdbqt | data/3R/3RXI-TSS/3RXI-TSS_decoy_scores.csv |
3RQ2-NAX | data/3R/3RQ2-NAX/3RQ2-NAX_ligand.pdbqt | data/3R/3RQ2-NAX/3RQ2-NAX_target.pdbqt | data/3R/3RQ2-NAX/3RQ2-NAX_decoys.pdbqt | data/3R/3RQ2-NAX/3RQ2-NAX_decoy_scores.csv |
3R7I-X9I | data/3R/3R7I-X9I/3R7I-X9I_ligand.pdbqt | data/3R/3R7I-X9I/3R7I-X9I_target.pdbqt | data/3R/3R7I-X9I/3R7I-X9I_decoys.pdbqt | data/3R/3R7I-X9I/3R7I-X9I_decoy_scores.csv |
3R19-MTE | data/3R/3R19-MTE/3R19-MTE_ligand.pdbqt | data/3R/3R19-MTE/3R19-MTE_target.pdbqt | null | null |
3REZ-FUL | data/3R/3REZ-FUL/3REZ-FUL_ligand.pdbqt | data/3R/3REZ-FUL/3REZ-FUL_target.pdbqt | data/3R/3REZ-FUL/3REZ-FUL_decoys.pdbqt | data/3R/3REZ-FUL/3REZ-FUL_decoy_scores.csv |
3RUD-NAD | data/3R/3RUD-NAD/3RUD-NAD_ligand.pdbqt | data/3R/3RUD-NAD/3RUD-NAD_target.pdbqt | data/3R/3RUD-NAD/3RUD-NAD_decoys.pdbqt | data/3R/3RUD-NAD/3RUD-NAD_decoy_scores.csv |
3R4V-GDP | data/3R/3R4V-GDP/3R4V-GDP_ligand.pdbqt | data/3R/3R4V-GDP/3R4V-GDP_target.pdbqt | data/3R/3R4V-GDP/3R4V-GDP_decoys.pdbqt | data/3R/3R4V-GDP/3R4V-GDP_decoy_scores.csv |
3RCJ-3RC | data/3R/3RCJ-3RC/3RCJ-3RC_ligand.pdbqt | data/3R/3RCJ-3RC/3RCJ-3RC_target.pdbqt | data/3R/3RCJ-3RC/3RCJ-3RC_decoys.pdbqt | data/3R/3RCJ-3RC/3RCJ-3RC_decoy_scores.csv |
3RQO-X2D | data/3R/3RQO-X2D/3RQO-X2D_ligand.pdbqt | data/3R/3RQO-X2D/3RQO-X2D_target.pdbqt | null | null |
3RJ5-NAD | data/3R/3RJ5-NAD/3RJ5-NAD_ligand.pdbqt | data/3R/3RJ5-NAD/3RJ5-NAD_target.pdbqt | data/3R/3RJ5-NAD/3RJ5-NAD_decoys.pdbqt | data/3R/3RJ5-NAD/3RJ5-NAD_decoy_scores.csv |
3RBH-C8E | data/3R/3RBH-C8E/3RBH-C8E_ligand.pdbqt | data/3R/3RBH-C8E/3RBH-C8E_target.pdbqt | data/3R/3RBH-C8E/3RBH-C8E_decoys.pdbqt | data/3R/3RBH-C8E/3RBH-C8E_decoy_scores.csv |
3R4S-SLB | data/3R/3R4S-SLB/3R4S-SLB_ligand.pdbqt | data/3R/3R4S-SLB/3R4S-SLB_target.pdbqt | data/3R/3R4S-SLB/3R4S-SLB_decoys.pdbqt | data/3R/3R4S-SLB/3R4S-SLB_decoy_scores.csv |
3R7U-X96 | data/3R/3R7U-X96/3R7U-X96_ligand.pdbqt | data/3R/3R7U-X96/3R7U-X96_target.pdbqt | data/3R/3R7U-X96/3R7U-X96_decoys.pdbqt | data/3R/3R7U-X96/3R7U-X96_decoy_scores.csv |
3RWM-GNP | data/3R/3RWM-GNP/3RWM-GNP_ligand.pdbqt | data/3R/3RWM-GNP/3RWM-GNP_target.pdbqt | data/3R/3RWM-GNP/3RWM-GNP_decoys.pdbqt | data/3R/3RWM-GNP/3RWM-GNP_decoy_scores.csv |
3R7X-GLU | data/3R/3R7X-GLU/3R7X-GLU_ligand.pdbqt | data/3R/3R7X-GLU/3R7X-GLU_target.pdbqt | data/3R/3R7X-GLU/3R7X-GLU_decoys.pdbqt | data/3R/3R7X-GLU/3R7X-GLU_decoy_scores.csv |
3R6I-JMS | data/3R/3R6I-JMS/3R6I-JMS_ligand.pdbqt | data/3R/3R6I-JMS/3R6I-JMS_target.pdbqt | data/3R/3R6I-JMS/3R6I-JMS_decoys.pdbqt | data/3R/3R6I-JMS/3R6I-JMS_decoy_scores.csv |
3R3S-NAD | data/3R/3R3S-NAD/3R3S-NAD_ligand.pdbqt | data/3R/3R3S-NAD/3R3S-NAD_target.pdbqt | data/3R/3R3S-NAD/3R3S-NAD_decoys.pdbqt | data/3R/3R3S-NAD/3R3S-NAD_decoy_scores.csv |
3RXD-SZ4 | data/3R/3RXD-SZ4/3RXD-SZ4_ligand.pdbqt | data/3R/3RXD-SZ4/3RXD-SZ4_target.pdbqt | data/3R/3RXD-SZ4/3RXD-SZ4_decoys.pdbqt | data/3R/3RXD-SZ4/3RXD-SZ4_decoy_scores.csv |
3R0D-PXN | data/3R/3R0D-PXN/3R0D-PXN_ligand.pdbqt | data/3R/3R0D-PXN/3R0D-PXN_target.pdbqt | data/3R/3R0D-PXN/3R0D-PXN_decoys.pdbqt | data/3R/3R0D-PXN/3R0D-PXN_decoy_scores.csv |
3RIK-3RI | data/3R/3RIK-3RI/3RIK-3RI_ligand.pdbqt | data/3R/3RIK-3RI/3RIK-3RI_target.pdbqt | data/3R/3RIK-3RI/3RIK-3RI_decoys.pdbqt | data/3R/3RIK-3RI/3RIK-3RI_decoy_scores.csv |
3RJC-06Z | data/3R/3RJC-06Z/3RJC-06Z_ligand.pdbqt | data/3R/3RJC-06Z/3RJC-06Z_target.pdbqt | data/3R/3RJC-06Z/3RJC-06Z_decoys.pdbqt | data/3R/3RJC-06Z/3RJC-06Z_decoy_scores.csv |
3RWG-XPE | data/3R/3RWG-XPE/3RWG-XPE_ligand.pdbqt | data/3R/3RWG-XPE/3RWG-XPE_target.pdbqt | data/3R/3RWG-XPE/3RWG-XPE_decoys.pdbqt | data/3R/3RWG-XPE/3RWG-XPE_decoy_scores.csv |
3R9A-BTB | data/3R/3R9A-BTB/3R9A-BTB_ligand.pdbqt | data/3R/3R9A-BTB/3R9A-BTB_target.pdbqt | data/3R/3R9A-BTB/3R9A-BTB_decoys.pdbqt | data/3R/3R9A-BTB/3R9A-BTB_decoy_scores.csv |
3R77-QLI | data/3R/3R77-QLI/3R77-QLI_ligand.pdbqt | data/3R/3R77-QLI/3R77-QLI_target.pdbqt | data/3R/3R77-QLI/3R77-QLI_decoys.pdbqt | data/3R/3R77-QLI/3R77-QLI_decoy_scores.csv |
3RP7-URC | data/3R/3RP7-URC/3RP7-URC_ligand.pdbqt | data/3R/3RP7-URC/3RP7-URC_target.pdbqt | data/3R/3RP7-URC/3RP7-URC_decoys.pdbqt | data/3R/3RP7-URC/3RP7-URC_decoy_scores.csv |
3RF6-G3P | data/3R/3RF6-G3P/3RF6-G3P_ligand.pdbqt | data/3R/3RF6-G3P/3RF6-G3P_target.pdbqt | data/3R/3RF6-G3P/3RF6-G3P_decoys.pdbqt | data/3R/3RF6-G3P/3RF6-G3P_decoy_scores.csv |
3ROG-T3P | data/3R/3ROG-T3P/3ROG-T3P_ligand.pdbqt | data/3R/3ROG-T3P/3ROG-T3P_target.pdbqt | data/3R/3ROG-T3P/3ROG-T3P_decoys.pdbqt | data/3R/3ROG-T3P/3ROG-T3P_decoy_scores.csv |
3R0Y-RSZ | data/3R/3R0Y-RSZ/3R0Y-RSZ_ligand.pdbqt | data/3R/3R0Y-RSZ/3R0Y-RSZ_target.pdbqt | data/3R/3R0Y-RSZ/3R0Y-RSZ_decoys.pdbqt | data/3R/3R0Y-RSZ/3R0Y-RSZ_decoy_scores.csv |
3RFC-ADP | data/3R/3RFC-ADP/3RFC-ADP_ligand.pdbqt | data/3R/3RFC-ADP/3RFC-ADP_target.pdbqt | data/3R/3RFC-ADP/3RFC-ADP_decoys.pdbqt | data/3R/3RFC-ADP/3RFC-ADP_decoy_scores.csv |
3RXU-BEN | data/3R/3RXU-BEN/3RXU-BEN_ligand.pdbqt | data/3R/3RXU-BEN/3RXU-BEN_target.pdbqt | data/3R/3RXU-BEN/3RXU-BEN_decoys.pdbqt | data/3R/3RXU-BEN/3RXU-BEN_decoy_scores.csv |
3RU9-NAD | data/3R/3RU9-NAD/3RU9-NAD_ligand.pdbqt | data/3R/3RU9-NAD/3RU9-NAD_target.pdbqt | data/3R/3RU9-NAD/3RU9-NAD_decoys.pdbqt | data/3R/3RU9-NAD/3RU9-NAD_decoy_scores.csv |
3RHZ-UDP | data/3R/3RHZ-UDP/3RHZ-UDP_ligand.pdbqt | data/3R/3RHZ-UDP/3RHZ-UDP_target.pdbqt | data/3R/3RHZ-UDP/3RHZ-UDP_decoys.pdbqt | data/3R/3RHZ-UDP/3RHZ-UDP_decoy_scores.csv |
3RV5-DXC | data/3R/3RV5-DXC/3RV5-DXC_ligand.pdbqt | data/3R/3RV5-DXC/3RV5-DXC_target.pdbqt | data/3R/3RV5-DXC/3RV5-DXC_decoys.pdbqt | data/3R/3RV5-DXC/3RV5-DXC_decoy_scores.csv |
3RRB-AMP | data/3R/3RRB-AMP/3RRB-AMP_ligand.pdbqt | data/3R/3RRB-AMP/3RRB-AMP_target.pdbqt | data/3R/3RRB-AMP/3RRB-AMP_decoys.pdbqt | data/3R/3RRB-AMP/3RRB-AMP_decoy_scores.csv |
3RIN-I2O | data/3R/3RIN-I2O/3RIN-I2O_ligand.pdbqt | data/3R/3RIN-I2O/3RIN-I2O_target.pdbqt | data/3R/3RIN-I2O/3RIN-I2O_decoys.pdbqt | data/3R/3RIN-I2O/3RIN-I2O_decoy_scores.csv |
3RLR-3RR | data/3R/3RLR-3RR/3RLR-3RR_ligand.pdbqt | data/3R/3RLR-3RR/3RLR-3RR_target.pdbqt | data/3R/3RLR-3RR/3RLR-3RR_decoys.pdbqt | data/3R/3RLR-3RR/3RLR-3RR_decoy_scores.csv |
3R9B-D12 | data/3R/3R9B-D12/3R9B-D12_ligand.pdbqt | data/3R/3R9B-D12/3R9B-D12_target.pdbqt | data/3R/3R9B-D12/3R9B-D12_decoys.pdbqt | data/3R/3R9B-D12/3R9B-D12_decoy_scores.csv |
3RUS-ADP | data/3R/3RUS-ADP/3RUS-ADP_ligand.pdbqt | data/3R/3RUS-ADP/3RUS-ADP_target.pdbqt | data/3R/3RUS-ADP/3RUS-ADP_decoys.pdbqt | data/3R/3RUS-ADP/3RUS-ADP_decoy_scores.csv |
3R9H-Z67 | data/3R/3R9H-Z67/3R9H-Z67_ligand.pdbqt | data/3R/3R9H-Z67/3R9H-Z67_target.pdbqt | data/3R/3R9H-Z67/3R9H-Z67_decoys.pdbqt | data/3R/3R9H-Z67/3R9H-Z67_decoy_scores.csv |
3R5A-P0A | data/3R/3R5A-P0A/3R5A-P0A_ligand.pdbqt | data/3R/3R5A-P0A/3R5A-P0A_target.pdbqt | data/3R/3R5A-P0A/3R5A-P0A_decoys.pdbqt | data/3R/3R5A-P0A/3R5A-P0A_decoy_scores.csv |
3RTP-34I | data/3R/3RTP-34I/3RTP-34I_ligand.pdbqt | data/3R/3RTP-34I/3RTP-34I_target.pdbqt | data/3R/3RTP-34I/3RTP-34I_decoys.pdbqt | data/3R/3RTP-34I/3RTP-34I_decoy_scores.csv |
3R7M-SUZ | data/3R/3R7M-SUZ/3R7M-SUZ_ligand.pdbqt | data/3R/3R7M-SUZ/3R7M-SUZ_target.pdbqt | data/3R/3R7M-SUZ/3R7M-SUZ_decoys.pdbqt | data/3R/3R7M-SUZ/3R7M-SUZ_decoy_scores.csv |
3RKB-12Z | data/3R/3RKB-12Z/3RKB-12Z_ligand.pdbqt | data/3R/3RKB-12Z/3RKB-12Z_target.pdbqt | data/3R/3RKB-12Z/3RKB-12Z_decoys.pdbqt | data/3R/3RKB-12Z/3RKB-12Z_decoy_scores.csv |
3R8V-Z62 | data/3R/3R8V-Z62/3R8V-Z62_ligand.pdbqt | data/3R/3R8V-Z62/3R8V-Z62_target.pdbqt | data/3R/3R8V-Z62/3R8V-Z62_decoys.pdbqt | data/3R/3R8V-Z62/3R8V-Z62_decoy_scores.csv |
3RDQ-DTB | data/3R/3RDQ-DTB/3RDQ-DTB_ligand.pdbqt | data/3R/3RDQ-DTB/3RDQ-DTB_target.pdbqt | data/3R/3RDQ-DTB/3RDQ-DTB_decoys.pdbqt | data/3R/3RDQ-DTB/3RDQ-DTB_decoy_scores.csv |
3RS5-GNP | data/3R/3RS5-GNP/3RS5-GNP_ligand.pdbqt | data/3R/3RS5-GNP/3RS5-GNP_target.pdbqt | data/3R/3RS5-GNP/3RS5-GNP_decoys.pdbqt | data/3R/3RS5-GNP/3RS5-GNP_decoy_scores.csv |
3RU0-SFG | data/3R/3RU0-SFG/3RU0-SFG_ligand.pdbqt | data/3R/3RU0-SFG/3RU0-SFG_target.pdbqt | data/3R/3RU0-SFG/3RU0-SFG_decoys.pdbqt | data/3R/3RU0-SFG/3RU0-SFG_decoy_scores.csv |
3R88-14F | data/3R/3R88-14F/3R88-14F_ligand.pdbqt | data/3R/3R88-14F/3R88-14F_target.pdbqt | data/3R/3R88-14F/3R88-14F_decoys.pdbqt | data/3R/3R88-14F/3R88-14F_decoy_scores.csv |
3R5H-ADP | data/3R/3R5H-ADP/3R5H-ADP_ligand.pdbqt | data/3R/3R5H-ADP/3R5H-ADP_target.pdbqt | data/3R/3R5H-ADP/3R5H-ADP_decoys.pdbqt | data/3R/3R5H-ADP/3R5H-ADP_decoy_scores.csv |
3RY9-1CA | data/3R/3RY9-1CA/3RY9-1CA_ligand.pdbqt | data/3R/3RY9-1CA/3RY9-1CA_target.pdbqt | data/3R/3RY9-1CA/3RY9-1CA_decoys.pdbqt | data/3R/3RY9-1CA/3RY9-1CA_decoy_scores.csv |
3RF6-FLC | data/3R/3RF6-FLC/3RF6-FLC_ligand.pdbqt | data/3R/3RF6-FLC/3RF6-FLC_target.pdbqt | data/3R/3RF6-FLC/3RF6-FLC_decoys.pdbqt | data/3R/3RF6-FLC/3RF6-FLC_decoy_scores.csv |
3RIL-3RK | data/3R/3RIL-3RK/3RIL-3RK_ligand.pdbqt | data/3R/3RIL-3RK/3RIL-3RK_target.pdbqt | data/3R/3RIL-3RK/3RIL-3RK_decoys.pdbqt | data/3R/3RIL-3RK/3RIL-3RK_decoy_scores.csv |
3RID-CGP | data/3R/3RID-CGP/3RID-CGP_ligand.pdbqt | data/3R/3RID-CGP/3RID-CGP_target.pdbqt | data/3R/3RID-CGP/3RID-CGP_decoys.pdbqt | data/3R/3RID-CGP/3RID-CGP_decoy_scores.csv |
3RGF-BAX | data/3R/3RGF-BAX/3RGF-BAX_ligand.pdbqt | data/3R/3RGF-BAX/3RGF-BAX_target.pdbqt | data/3R/3RGF-BAX/3RGF-BAX_decoys.pdbqt | data/3R/3RGF-BAX/3RGF-BAX_decoy_scores.csv |
3RV3-ADP | data/3R/3RV3-ADP/3RV3-ADP_ligand.pdbqt | data/3R/3RV3-ADP/3RV3-ADP_target.pdbqt | data/3R/3RV3-ADP/3RV3-ADP_decoys.pdbqt | data/3R/3RV3-ADP/3RV3-ADP_decoy_scores.csv |
3RRF-ATP | data/3R/3RRF-ATP/3RRF-ATP_ligand.pdbqt | data/3R/3RRF-ATP/3RRF-ATP_target.pdbqt | data/3R/3RRF-ATP/3RRF-ATP_decoys.pdbqt | data/3R/3RRF-ATP/3RRF-ATP_decoy_scores.csv |
3RMV-UDP | data/3R/3RMV-UDP/3RMV-UDP_ligand.pdbqt | data/3R/3RMV-UDP/3RMV-UDP_target.pdbqt | data/3R/3RMV-UDP/3RMV-UDP_decoys.pdbqt | data/3R/3RMV-UDP/3RMV-UDP_decoy_scores.csv |
3ROX-TEP | data/3R/3ROX-TEP/3ROX-TEP_ligand.pdbqt | data/3R/3ROX-TEP/3ROX-TEP_target.pdbqt | data/3R/3ROX-TEP/3ROX-TEP_decoys.pdbqt | data/3R/3ROX-TEP/3ROX-TEP_decoy_scores.csv |
3R16-5UN | data/3R/3R16-5UN/3R16-5UN_ligand.pdbqt | data/3R/3R16-5UN/3R16-5UN_target.pdbqt | data/3R/3R16-5UN/3R16-5UN_decoys.pdbqt | data/3R/3R16-5UN/3R16-5UN_decoy_scores.csv |
3RFQ-B3P | data/3R/3RFQ-B3P/3RFQ-B3P_ligand.pdbqt | data/3R/3RFQ-B3P/3RFQ-B3P_target.pdbqt | data/3R/3RFQ-B3P/3RFQ-B3P_decoys.pdbqt | data/3R/3RFQ-B3P/3RFQ-B3P_decoy_scores.csv |
3RTC-ATP | data/3R/3RTC-ATP/3RTC-ATP_ligand.pdbqt | data/3R/3RTC-ATP/3RTC-ATP_target.pdbqt | data/3R/3RTC-ATP/3RTC-ATP_decoys.pdbqt | data/3R/3RTC-ATP/3RTC-ATP_decoy_scores.csv |
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