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 ⌀ |
|---|---|---|---|---|
1DLJ-NAI | data/1D/1DLJ-NAI/1DLJ-NAI_ligand.pdbqt | data/1D/1DLJ-NAI/1DLJ-NAI_target.pdbqt | data/1D/1DLJ-NAI/1DLJ-NAI_decoys.pdbqt | data/1D/1DLJ-NAI/1DLJ-NAI_decoy_scores.csv |
1DEL-DGP | data/1D/1DEL-DGP/1DEL-DGP_ligand.pdbqt | data/1D/1DEL-DGP/1DEL-DGP_target.pdbqt | data/1D/1DEL-DGP/1DEL-DGP_decoys.pdbqt | data/1D/1DEL-DGP/1DEL-DGP_decoy_scores.csv |
1DAY-GNP | data/1D/1DAY-GNP/1DAY-GNP_ligand.pdbqt | data/1D/1DAY-GNP/1DAY-GNP_target.pdbqt | data/1D/1DAY-GNP/1DAY-GNP_decoys.pdbqt | data/1D/1DAY-GNP/1DAY-GNP_decoy_scores.csv |
1DXR-MST | data/1D/1DXR-MST/1DXR-MST_ligand.pdbqt | data/1D/1DXR-MST/1DXR-MST_target.pdbqt | data/1D/1DXR-MST/1DXR-MST_decoys.pdbqt | data/1D/1DXR-MST/1DXR-MST_decoy_scores.csv |
1DIL-EQP | data/1D/1DIL-EQP/1DIL-EQP_ligand.pdbqt | data/1D/1DIL-EQP/1DIL-EQP_target.pdbqt | data/1D/1DIL-EQP/1DIL-EQP_decoys.pdbqt | data/1D/1DIL-EQP/1DIL-EQP_decoy_scores.csv |
1DO8-NAD | data/1D/1DO8-NAD/1DO8-NAD_ligand.pdbqt | data/1D/1DO8-NAD/1DO8-NAD_target.pdbqt | data/1D/1DO8-NAD/1DO8-NAD_decoys.pdbqt | data/1D/1DO8-NAD/1DO8-NAD_decoy_scores.csv |
1DAH-ACP | data/1D/1DAH-ACP/1DAH-ACP_ligand.pdbqt | data/1D/1DAH-ACP/1DAH-ACP_target.pdbqt | data/1D/1DAH-ACP/1DAH-ACP_decoys.pdbqt | data/1D/1DAH-ACP/1DAH-ACP_decoy_scores.csv |
1DAK-DPU | data/1D/1DAK-DPU/1DAK-DPU_ligand.pdbqt | data/1D/1DAK-DPU/1DAK-DPU_target.pdbqt | data/1D/1DAK-DPU/1DAK-DPU_decoys.pdbqt | data/1D/1DAK-DPU/1DAK-DPU_decoy_scores.csv |
1DVZ-OFL | data/1D/1DVZ-OFL/1DVZ-OFL_ligand.pdbqt | data/1D/1DVZ-OFL/1DVZ-OFL_target.pdbqt | data/1D/1DVZ-OFL/1DVZ-OFL_decoys.pdbqt | data/1D/1DVZ-OFL/1DVZ-OFL_decoy_scores.csv |
1DI8-DTQ | data/1D/1DI8-DTQ/1DI8-DTQ_ligand.pdbqt | data/1D/1DI8-DTQ/1DI8-DTQ_target.pdbqt | data/1D/1DI8-DTQ/1DI8-DTQ_decoys.pdbqt | data/1D/1DI8-DTQ/1DI8-DTQ_decoy_scores.csv |
1DZP-BZQ | data/1D/1DZP-BZQ/1DZP-BZQ_ligand.pdbqt | data/1D/1DZP-BZQ/1DZP-BZQ_target.pdbqt | data/1D/1DZP-BZQ/1DZP-BZQ_decoys.pdbqt | data/1D/1DZP-BZQ/1DZP-BZQ_decoy_scores.csv |
1D3P-BT3 | data/1D/1D3P-BT3/1D3P-BT3_ligand.pdbqt | data/1D/1D3P-BT3/1D3P-BT3_target.pdbqt | data/1D/1D3P-BT3/1D3P-BT3_decoys.pdbqt | data/1D/1D3P-BT3/1D3P-BT3_decoy_scores.csv |
1D2A-ADE | data/1D/1D2A-ADE/1D2A-ADE_ligand.pdbqt | data/1D/1D2A-ADE/1D2A-ADE_target.pdbqt | data/1D/1D2A-ADE/1D2A-ADE_decoys.pdbqt | data/1D/1D2A-ADE/1D2A-ADE_decoy_scores.csv |
1DAR-GDP | data/1D/1DAR-GDP/1DAR-GDP_ligand.pdbqt | data/1D/1DAR-GDP/1DAR-GDP_target.pdbqt | data/1D/1DAR-GDP/1DAR-GDP_decoys.pdbqt | data/1D/1DAR-GDP/1DAR-GDP_decoy_scores.csv |
1D6V-HOP | data/1D/1D6V-HOP/1D6V-HOP_ligand.pdbqt | data/1D/1D6V-HOP/1D6V-HOP_target.pdbqt | data/1D/1D6V-HOP/1D6V-HOP_decoys.pdbqt | data/1D/1D6V-HOP/1D6V-HOP_decoy_scores.csv |
1DHF-FOL | data/1D/1DHF-FOL/1DHF-FOL_ligand.pdbqt | data/1D/1DHF-FOL/1DHF-FOL_target.pdbqt | data/1D/1DHF-FOL/1DHF-FOL_decoys.pdbqt | data/1D/1DHF-FOL/1DHF-FOL_decoy_scores.csv |
1D0C-INE | data/1D/1D0C-INE/1D0C-INE_ligand.pdbqt | data/1D/1D0C-INE/1D0C-INE_target.pdbqt | null | null |
1DKU-AP2 | data/1D/1DKU-AP2/1DKU-AP2_ligand.pdbqt | data/1D/1DKU-AP2/1DKU-AP2_target.pdbqt | data/1D/1DKU-AP2/1DKU-AP2_decoys.pdbqt | data/1D/1DKU-AP2/1DKU-AP2_decoy_scores.csv |
1DKF-OLA | data/1D/1DKF-OLA/1DKF-OLA_ligand.pdbqt | data/1D/1DKF-OLA/1DKF-OLA_target.pdbqt | data/1D/1DKF-OLA/1DKF-OLA_decoys.pdbqt | data/1D/1DKF-OLA/1DKF-OLA_decoy_scores.csv |
1DIG-L37 | data/1D/1DIG-L37/1DIG-L37_ligand.pdbqt | data/1D/1DIG-L37/1DIG-L37_target.pdbqt | data/1D/1DIG-L37/1DIG-L37_decoys.pdbqt | data/1D/1DIG-L37/1DIG-L37_decoy_scores.csv |
1D6W-00R | data/1D/1D6W-00R/1D6W-00R_ligand.pdbqt | data/1D/1D6W-00R/1D6W-00R_target.pdbqt | data/1D/1D6W-00R/1D6W-00R_decoys.pdbqt | data/1D/1D6W-00R/1D6W-00R_decoy_scores.csv |
1DWW-H2B | data/1D/1DWW-H2B/1DWW-H2B_ligand.pdbqt | data/1D/1DWW-H2B/1DWW-H2B_target.pdbqt | data/1D/1DWW-H2B/1DWW-H2B_decoys.pdbqt | data/1D/1DWW-H2B/1DWW-H2B_decoy_scores.csv |
1DBV-NAD | data/1D/1DBV-NAD/1DBV-NAD_ligand.pdbqt | data/1D/1DBV-NAD/1DBV-NAD_target.pdbqt | data/1D/1DBV-NAD/1DBV-NAD_decoys.pdbqt | data/1D/1DBV-NAD/1DBV-NAD_decoy_scores.csv |
1D4I-BEG | data/1D/1D4I-BEG/1D4I-BEG_ligand.pdbqt | data/1D/1D4I-BEG/1D4I-BEG_target.pdbqt | data/1D/1D4I-BEG/1D4I-BEG_decoys.pdbqt | data/1D/1D4I-BEG/1D4I-BEG_decoy_scores.csv |
1D2N-ANP | data/1D/1D2N-ANP/1D2N-ANP_ligand.pdbqt | data/1D/1D2N-ANP/1D2N-ANP_target.pdbqt | data/1D/1D2N-ANP/1D2N-ANP_decoys.pdbqt | data/1D/1D2N-ANP/1D2N-ANP_decoy_scores.csv |
1DAG-ACP | data/1D/1DAG-ACP/1DAG-ACP_ligand.pdbqt | data/1D/1DAG-ACP/1DAG-ACP_target.pdbqt | data/1D/1DAG-ACP/1DAG-ACP_decoys.pdbqt | data/1D/1DAG-ACP/1DAG-ACP_decoy_scores.csv |
1DVJ-UP6 | data/1D/1DVJ-UP6/1DVJ-UP6_ligand.pdbqt | data/1D/1DVJ-UP6/1DVJ-UP6_target.pdbqt | data/1D/1DVJ-UP6/1DVJ-UP6_decoys.pdbqt | data/1D/1DVJ-UP6/1DVJ-UP6_decoy_scores.csv |
1DAD-ADP | data/1D/1DAD-ADP/1DAD-ADP_ligand.pdbqt | data/1D/1DAD-ADP/1DAD-ADP_target.pdbqt | data/1D/1DAD-ADP/1DAD-ADP_decoys.pdbqt | data/1D/1DAD-ADP/1DAD-ADP_decoy_scores.csv |
1DDR-MTX | data/1D/1DDR-MTX/1DDR-MTX_ligand.pdbqt | data/1D/1DDR-MTX/1DDR-MTX_target.pdbqt | data/1D/1DDR-MTX/1DDR-MTX_decoys.pdbqt | data/1D/1DDR-MTX/1DDR-MTX_decoy_scores.csv |
1DTL-BEP | data/1D/1DTL-BEP/1DTL-BEP_ligand.pdbqt | data/1D/1DTL-BEP/1DTL-BEP_target.pdbqt | data/1D/1DTL-BEP/1DTL-BEP_decoys.pdbqt | data/1D/1DTL-BEP/1DTL-BEP_decoy_scores.csv |
1D09-PAL | data/1D/1D09-PAL/1D09-PAL_ligand.pdbqt | data/1D/1D09-PAL/1D09-PAL_target.pdbqt | data/1D/1D09-PAL/1D09-PAL_decoys.pdbqt | data/1D/1D09-PAL/1D09-PAL_decoy_scores.csv |
1DLT-LIO | data/1D/1DLT-LIO/1DLT-LIO_ligand.pdbqt | data/1D/1DLT-LIO/1DLT-LIO_target.pdbqt | data/1D/1DLT-LIO/1DLT-LIO_decoys.pdbqt | data/1D/1DLT-LIO/1DLT-LIO_decoy_scores.csv |
1D7U-LCS | data/1D/1D7U-LCS/1D7U-LCS_ligand.pdbqt | data/1D/1D7U-LCS/1D7U-LCS_target.pdbqt | data/1D/1D7U-LCS/1D7U-LCS_decoys.pdbqt | data/1D/1D7U-LCS/1D7U-LCS_decoy_scores.csv |
1DLJ-UGA | data/1D/1DLJ-UGA/1DLJ-UGA_ligand.pdbqt | data/1D/1DLJ-UGA/1DLJ-UGA_target.pdbqt | data/1D/1DLJ-UGA/1DLJ-UGA_decoys.pdbqt | data/1D/1DLJ-UGA/1DLJ-UGA_decoy_scores.csv |
1DEH-NAD | data/1D/1DEH-NAD/1DEH-NAD_ligand.pdbqt | data/1D/1DEH-NAD/1DEH-NAD_target.pdbqt | data/1D/1DEH-NAD/1DEH-NAD_decoys.pdbqt | data/1D/1DEH-NAD/1DEH-NAD_decoy_scores.csv |
1DTD-GLU | data/1D/1DTD-GLU/1DTD-GLU_ligand.pdbqt | data/1D/1DTD-GLU/1DTD-GLU_target.pdbqt | data/1D/1DTD-GLU/1DTD-GLU_decoys.pdbqt | data/1D/1DTD-GLU/1DTD-GLU_decoy_scores.csv |
1D4S-TPV | data/1D/1D4S-TPV/1D4S-TPV_ligand.pdbqt | data/1D/1D4S-TPV/1D4S-TPV_target.pdbqt | data/1D/1D4S-TPV/1D4S-TPV_decoys.pdbqt | data/1D/1D4S-TPV/1D4S-TPV_decoy_scores.csv |
1D4Y-TPV | data/1D/1D4Y-TPV/1D4Y-TPV_ligand.pdbqt | data/1D/1D4Y-TPV/1D4Y-TPV_target.pdbqt | data/1D/1D4Y-TPV/1D4Y-TPV_decoys.pdbqt | data/1D/1D4Y-TPV/1D4Y-TPV_decoy_scores.csv |
1DM2-HMD | data/1D/1DM2-HMD/1DM2-HMD_ligand.pdbqt | data/1D/1DM2-HMD/1DM2-HMD_target.pdbqt | data/1D/1DM2-HMD/1DM2-HMD_decoys.pdbqt | data/1D/1DM2-HMD/1DM2-HMD_decoy_scores.csv |
1DXO-DQN | data/1D/1DXO-DQN/1DXO-DQN_ligand.pdbqt | data/1D/1DXO-DQN/1DXO-DQN_target.pdbqt | data/1D/1DXO-DQN/1DXO-DQN_decoys.pdbqt | data/1D/1DXO-DQN/1DXO-DQN_decoy_scores.csv |
1D8C-SOR | data/1D/1D8C-SOR/1D8C-SOR_ligand.pdbqt | data/1D/1D8C-SOR/1D8C-SOR_target.pdbqt | data/1D/1D8C-SOR/1D8C-SOR_decoys.pdbqt | data/1D/1D8C-SOR/1D8C-SOR_decoy_scores.csv |
1DMJ-AP4 | data/1D/1DMJ-AP4/1DMJ-AP4_ligand.pdbqt | data/1D/1DMJ-AP4/1DMJ-AP4_target.pdbqt | data/1D/1DMJ-AP4/1DMJ-AP4_decoys.pdbqt | data/1D/1DMJ-AP4/1DMJ-AP4_decoy_scores.csv |
1DET-2GP | data/1D/1DET-2GP/1DET-2GP_ligand.pdbqt | data/1D/1DET-2GP/1DET-2GP_target.pdbqt | data/1D/1DET-2GP/1DET-2GP_decoys.pdbqt | data/1D/1DET-2GP/1DET-2GP_decoy_scores.csv |
1DL7-NCH | data/1D/1DL7-NCH/1DL7-NCH_ligand.pdbqt | data/1D/1DL7-NCH/1DL7-NCH_target.pdbqt | data/1D/1DL7-NCH/1DL7-NCH_decoys.pdbqt | data/1D/1DL7-NCH/1DL7-NCH_decoy_scores.csv |
1D7O-NAD | data/1D/1D7O-NAD/1D7O-NAD_ligand.pdbqt | data/1D/1D7O-NAD/1D7O-NAD_target.pdbqt | data/1D/1D7O-NAD/1D7O-NAD_decoys.pdbqt | data/1D/1D7O-NAD/1D7O-NAD_decoy_scores.csv |
1D6F-B3P | data/1D/1D6F-B3P/1D6F-B3P_ligand.pdbqt | data/1D/1D6F-B3P/1D6F-B3P_target.pdbqt | data/1D/1D6F-B3P/1D6F-B3P_decoys.pdbqt | data/1D/1D6F-B3P/1D6F-B3P_decoy_scores.csv |
1DR1-HBI | data/1D/1DR1-HBI/1DR1-HBI_ligand.pdbqt | data/1D/1DR1-HBI/1DR1-HBI_target.pdbqt | data/1D/1DR1-HBI/1DR1-HBI_decoys.pdbqt | data/1D/1DR1-HBI/1DR1-HBI_decoy_scores.csv |
1DHS-NAD | data/1D/1DHS-NAD/1DHS-NAD_ligand.pdbqt | data/1D/1DHS-NAD/1DHS-NAD_target.pdbqt | data/1D/1DHS-NAD/1DHS-NAD_decoys.pdbqt | data/1D/1DHS-NAD/1DHS-NAD_decoy_scores.csv |
1DMK-AP6 | data/1D/1DMK-AP6/1DMK-AP6_ligand.pdbqt | data/1D/1DMK-AP6/1DMK-AP6_target.pdbqt | data/1D/1DMK-AP6/1DMK-AP6_decoys.pdbqt | data/1D/1DMK-AP6/1DMK-AP6_decoy_scores.csv |
1DFP-DFP | data/1D/1DFP-DFP/1DFP-DFP_ligand.pdbqt | data/1D/1DFP-DFP/1DFP-DFP_target.pdbqt | data/1D/1DFP-DFP/1DFP-DFP_decoys.pdbqt | data/1D/1DFP-DFP/1DFP-DFP_decoy_scores.csv |
1DZM-BZM | data/1D/1DZM-BZM/1DZM-BZM_ligand.pdbqt | data/1D/1DZM-BZM/1DZM-BZM_target.pdbqt | data/1D/1DZM-BZM/1DZM-BZM_decoys.pdbqt | data/1D/1DZM-BZM/1DZM-BZM_decoy_scores.csv |
1D5C-GDP | data/1D/1D5C-GDP/1D5C-GDP_ligand.pdbqt | data/1D/1D5C-GDP/1D5C-GDP_target.pdbqt | data/1D/1D5C-GDP/1D5C-GDP_decoys.pdbqt | data/1D/1D5C-GDP/1D5C-GDP_decoy_scores.csv |
1DPO-BEN | data/1D/1DPO-BEN/1DPO-BEN_ligand.pdbqt | data/1D/1DPO-BEN/1DPO-BEN_target.pdbqt | data/1D/1DPO-BEN/1DPO-BEN_decoys.pdbqt | data/1D/1DPO-BEN/1DPO-BEN_decoy_scores.csv |
1DB4-8IN | data/1D/1DB4-8IN/1DB4-8IN_ligand.pdbqt | data/1D/1DB4-8IN/1DB4-8IN_target.pdbqt | data/1D/1DB4-8IN/1DB4-8IN_decoys.pdbqt | data/1D/1DB4-8IN/1DB4-8IN_decoy_scores.csv |
1DEK-DGP | data/1D/1DEK-DGP/1DEK-DGP_ligand.pdbqt | data/1D/1DEK-DGP/1DEK-DGP_target.pdbqt | data/1D/1DEK-DGP/1DEK-DGP_decoys.pdbqt | data/1D/1DEK-DGP/1DEK-DGP_decoy_scores.csv |
1DQN-IMU | data/1D/1DQN-IMU/1DQN-IMU_ligand.pdbqt | data/1D/1DQN-IMU/1DQN-IMU_target.pdbqt | data/1D/1DQN-IMU/1DQN-IMU_decoys.pdbqt | data/1D/1DQN-IMU/1DQN-IMU_decoy_scores.csv |
1DF7-MTX | data/1D/1DF7-MTX/1DF7-MTX_ligand.pdbqt | data/1D/1DF7-MTX/1DF7-MTX_target.pdbqt | data/1D/1DF7-MTX/1DF7-MTX_decoys.pdbqt | data/1D/1DF7-MTX/1DF7-MTX_decoy_scores.csv |
1DRJ-RIP | data/1D/1DRJ-RIP/1DRJ-RIP_ligand.pdbqt | data/1D/1DRJ-RIP/1DRJ-RIP_target.pdbqt | data/1D/1DRJ-RIP/1DRJ-RIP_decoys.pdbqt | data/1D/1DRJ-RIP/1DRJ-RIP_decoy_scores.csv |
1DR3-HBI | data/1D/1DR3-HBI/1DR3-HBI_ligand.pdbqt | data/1D/1DR3-HBI/1DR3-HBI_target.pdbqt | data/1D/1DR3-HBI/1DR3-HBI_decoys.pdbqt | data/1D/1DR3-HBI/1DR3-HBI_decoy_scores.csv |
1DYH-DZF | data/1D/1DYH-DZF/1DYH-DZF_ligand.pdbqt | data/1D/1DYH-DZF/1DYH-DZF_target.pdbqt | data/1D/1DYH-DZF/1DYH-DZF_decoys.pdbqt | data/1D/1DYH-DZF/1DYH-DZF_decoy_scores.csv |
1DAM-ADP | data/1D/1DAM-ADP/1DAM-ADP_ligand.pdbqt | data/1D/1DAM-ADP/1DAM-ADP_target.pdbqt | data/1D/1DAM-ADP/1DAM-ADP_decoys.pdbqt | data/1D/1DAM-ADP/1DAM-ADP_decoy_scores.csv |
1DDU-CB3 | data/1D/1DDU-CB3/1DDU-CB3_ligand.pdbqt | data/1D/1DDU-CB3/1DDU-CB3_target.pdbqt | data/1D/1DDU-CB3/1DDU-CB3_decoys.pdbqt | data/1D/1DDU-CB3/1DDU-CB3_decoy_scores.csv |
1DTH-BAT | data/1D/1DTH-BAT/1DTH-BAT_ligand.pdbqt | data/1D/1DTH-BAT/1DTH-BAT_target.pdbqt | data/1D/1DTH-BAT/1DTH-BAT_decoys.pdbqt | data/1D/1DTH-BAT/1DTH-BAT_decoy_scores.csv |
1DAN-BGC | data/1D/1DAN-BGC/1DAN-BGC_ligand.pdbqt | data/1D/1DAN-BGC/1DAN-BGC_target.pdbqt | data/1D/1DAN-BGC/1DAN-BGC_decoys.pdbqt | data/1D/1DAN-BGC/1DAN-BGC_decoy_scores.csv |
1DUC-DUD | data/1D/1DUC-DUD/1DUC-DUD_ligand.pdbqt | data/1D/1DUC-DUD/1DUC-DUD_target.pdbqt | null | null |
1DD6-MCI | data/1D/1DD6-MCI/1DD6-MCI_ligand.pdbqt | data/1D/1DD6-MCI/1DD6-MCI_target.pdbqt | data/1D/1DD6-MCI/1DD6-MCI_decoys.pdbqt | data/1D/1DD6-MCI/1DD6-MCI_decoy_scores.csv |
1DTP-APU | data/1D/1DTP-APU/1DTP-APU_ligand.pdbqt | data/1D/1DTP-APU/1DTP-APU_target.pdbqt | data/1D/1DTP-APU/1DTP-APU_decoys.pdbqt | data/1D/1DTP-APU/1DTP-APU_decoy_scores.csv |
1DAE-IKT | data/1D/1DAE-IKT/1DAE-IKT_ligand.pdbqt | data/1D/1DAE-IKT/1DAE-IKT_target.pdbqt | data/1D/1DAE-IKT/1DAE-IKT_decoys.pdbqt | data/1D/1DAE-IKT/1DAE-IKT_decoy_scores.csv |
1DE5-RNT | data/1D/1DE5-RNT/1DE5-RNT_ligand.pdbqt | data/1D/1DE5-RNT/1DE5-RNT_target.pdbqt | data/1D/1DE5-RNT/1DE5-RNT_decoys.pdbqt | data/1D/1DE5-RNT/1DE5-RNT_decoy_scores.csv |
1DLI-NAD | data/1D/1DLI-NAD/1DLI-NAD_ligand.pdbqt | data/1D/1DLI-NAD/1DLI-NAD_target.pdbqt | data/1D/1DLI-NAD/1DLI-NAD_decoys.pdbqt | data/1D/1DLI-NAD/1DLI-NAD_decoy_scores.csv |
1DLR-MXA | data/1D/1DLR-MXA/1DLR-MXA_ligand.pdbqt | data/1D/1DLR-MXA/1DLR-MXA_target.pdbqt | data/1D/1DLR-MXA/1DLR-MXA_decoys.pdbqt | data/1D/1DLR-MXA/1DLR-MXA_decoy_scores.csv |
1DPF-GDP | data/1D/1DPF-GDP/1DPF-GDP_ligand.pdbqt | data/1D/1DPF-GDP/1DPF-GDP_target.pdbqt | data/1D/1DPF-GDP/1DPF-GDP_decoys.pdbqt | data/1D/1DPF-GDP/1DPF-GDP_decoy_scores.csv |
1DYJ-DDF | data/1D/1DYJ-DDF/1DYJ-DDF_ligand.pdbqt | data/1D/1DYJ-DDF/1DYJ-DDF_target.pdbqt | data/1D/1DYJ-DDF/1DYJ-DDF_decoys.pdbqt | data/1D/1DYJ-DDF/1DYJ-DDF_decoy_scores.csv |
1D8T-GDP | data/1D/1D8T-GDP/1D8T-GDP_ligand.pdbqt | data/1D/1D8T-GDP/1D8T-GDP_target.pdbqt | data/1D/1D8T-GDP/1D8T-GDP_decoys.pdbqt | data/1D/1D8T-GDP/1D8T-GDP_decoy_scores.csv |
1DG1-GDP | data/1D/1DG1-GDP/1DG1-GDP_ligand.pdbqt | data/1D/1DG1-GDP/1DG1-GDP_target.pdbqt | data/1D/1DG1-GDP/1DG1-GDP_decoys.pdbqt | data/1D/1DG1-GDP/1DG1-GDP_decoy_scores.csv |
1DKP-IHP | data/1D/1DKP-IHP/1DKP-IHP_ligand.pdbqt | data/1D/1DKP-IHP/1DKP-IHP_target.pdbqt | data/1D/1DKP-IHP/1DKP-IHP_decoys.pdbqt | data/1D/1DKP-IHP/1DKP-IHP_decoy_scores.csv |
1DEL-AMP | data/1D/1DEL-AMP/1DEL-AMP_ligand.pdbqt | data/1D/1DEL-AMP/1DEL-AMP_target.pdbqt | data/1D/1DEL-AMP/1DEL-AMP_decoys.pdbqt | data/1D/1DEL-AMP/1DEL-AMP_decoy_scores.csv |
1DRY-AAG | data/1D/1DRY-AAG/1DRY-AAG_ligand.pdbqt | data/1D/1DRY-AAG/1DRY-AAG_target.pdbqt | data/1D/1DRY-AAG/1DRY-AAG_decoys.pdbqt | data/1D/1DRY-AAG/1DRY-AAG_decoy_scores.csv |
1DNL-FMN | data/1D/1DNL-FMN/1DNL-FMN_ligand.pdbqt | data/1D/1DNL-FMN/1DNL-FMN_target.pdbqt | data/1D/1DNL-FMN/1DNL-FMN_decoys.pdbqt | data/1D/1DNL-FMN/1DNL-FMN_decoy_scores.csv |
1DVX-DIF | data/1D/1DVX-DIF/1DVX-DIF_ligand.pdbqt | data/1D/1DVX-DIF/1DVX-DIF_target.pdbqt | data/1D/1DVX-DIF/1DVX-DIF_decoys.pdbqt | data/1D/1DVX-DIF/1DVX-DIF_decoy_scores.csv |
1DFO-FFO | data/1D/1DFO-FFO/1DFO-FFO_ligand.pdbqt | data/1D/1DFO-FFO/1DFO-FFO_target.pdbqt | data/1D/1DFO-FFO/1DFO-FFO_decoys.pdbqt | data/1D/1DFO-FFO/1DFO-FFO_decoy_scores.csv |
1DNA-UMP | data/1D/1DNA-UMP/1DNA-UMP_ligand.pdbqt | data/1D/1DNA-UMP/1DNA-UMP_target.pdbqt | data/1D/1DNA-UMP/1DNA-UMP_decoys.pdbqt | data/1D/1DNA-UMP/1DNA-UMP_decoy_scores.csv |
1D0L-BLG | data/1D/1D0L-BLG/1D0L-BLG_ligand.pdbqt | data/1D/1D0L-BLG/1D0L-BLG_target.pdbqt | data/1D/1D0L-BLG/1D0L-BLG_decoys.pdbqt | data/1D/1D0L-BLG/1D0L-BLG_decoy_scores.csv |
1DAH-DNN | data/1D/1DAH-DNN/1DAH-DNN_ligand.pdbqt | data/1D/1DAH-DNN/1DAH-DNN_target.pdbqt | data/1D/1DAH-DNN/1DAH-DNN_decoys.pdbqt | data/1D/1DAH-DNN/1DAH-DNN_decoy_scores.csv |
1DFO-PLG | data/1D/1DFO-PLG/1DFO-PLG_ligand.pdbqt | data/1D/1DFO-PLG/1DFO-PLG_target.pdbqt | data/1D/1DFO-PLG/1DFO-PLG_decoys.pdbqt | data/1D/1DFO-PLG/1DFO-PLG_decoy_scores.csv |
1D0O-INE | data/1D/1D0O-INE/1D0O-INE_ligand.pdbqt | data/1D/1D0O-INE/1D0O-INE_target.pdbqt | null | null |
1DLM-LIO | data/1D/1DLM-LIO/1DLM-LIO_ligand.pdbqt | data/1D/1DLM-LIO/1DLM-LIO_target.pdbqt | data/1D/1DLM-LIO/1DLM-LIO_decoys.pdbqt | data/1D/1DLM-LIO/1DLM-LIO_decoy_scores.csv |
1DF8-BTN | data/1D/1DF8-BTN/1DF8-BTN_ligand.pdbqt | data/1D/1DF8-BTN/1DF8-BTN_target.pdbqt | data/1D/1DF8-BTN/1DF8-BTN_decoys.pdbqt | data/1D/1DF8-BTN/1DF8-BTN_decoy_scores.csv |
1DQR-6PG | data/1D/1DQR-6PG/1DQR-6PG_ligand.pdbqt | data/1D/1DQR-6PG/1DQR-6PG_target.pdbqt | data/1D/1DQR-6PG/1DQR-6PG_decoys.pdbqt | data/1D/1DQR-6PG/1DQR-6PG_decoy_scores.csv |
1D1V-PTU | data/1D/1D1V-PTU/1D1V-PTU_ligand.pdbqt | data/1D/1D1V-PTU/1D1V-PTU_target.pdbqt | null | null |
1D7R-5PA | data/1D/1D7R-5PA/1D7R-5PA_ligand.pdbqt | data/1D/1D7R-5PA/1D7R-5PA_target.pdbqt | data/1D/1D7R-5PA/1D7R-5PA_decoys.pdbqt | data/1D/1D7R-5PA/1D7R-5PA_decoy_scores.csv |
1D1W-H4B | data/1D/1D1W-H4B/1D1W-H4B_ligand.pdbqt | data/1D/1D1W-H4B/1D1W-H4B_target.pdbqt | null | null |
1D3G-ORO | data/1D/1D3G-ORO/1D3G-ORO_ligand.pdbqt | data/1D/1D3G-ORO/1D3G-ORO_target.pdbqt | data/1D/1D3G-ORO/1D3G-ORO_decoys.pdbqt | data/1D/1D3G-ORO/1D3G-ORO_decoy_scores.csv |
1D3H-A26 | data/1D/1D3H-A26/1D3H-A26_ligand.pdbqt | data/1D/1D3H-A26/1D3H-A26_target.pdbqt | data/1D/1D3H-A26/1D3H-A26_decoys.pdbqt | data/1D/1D3H-A26/1D3H-A26_decoy_scores.csv |
1DAM-DTB | data/1D/1DAM-DTB/1DAM-DTB_ligand.pdbqt | data/1D/1DAM-DTB/1DAM-DTB_target.pdbqt | data/1D/1DAM-DTB/1DAM-DTB_decoys.pdbqt | data/1D/1DAM-DTB/1DAM-DTB_decoy_scores.csv |
1DB1-VDX | data/1D/1DB1-VDX/1DB1-VDX_ligand.pdbqt | data/1D/1DB1-VDX/1DB1-VDX_target.pdbqt | data/1D/1DB1-VDX/1DB1-VDX_decoys.pdbqt | data/1D/1DB1-VDX/1DB1-VDX_decoy_scores.csv |
1DP2-LPB | data/1D/1DP2-LPB/1DP2-LPB_ligand.pdbqt | data/1D/1DP2-LPB/1DP2-LPB_target.pdbqt | data/1D/1DP2-LPB/1DP2-LPB_decoys.pdbqt | data/1D/1DP2-LPB/1DP2-LPB_decoy_scores.csv |
1DFG-NAD | data/1D/1DFG-NAD/1DFG-NAD_ligand.pdbqt | data/1D/1DFG-NAD/1DFG-NAD_target.pdbqt | null | null |
1DV2-ATP | data/1D/1DV2-ATP/1DV2-ATP_ligand.pdbqt | data/1D/1DV2-ATP/1DV2-ATP_target.pdbqt | data/1D/1DV2-ATP/1DV2-ATP_decoys.pdbqt | data/1D/1DV2-ATP/1DV2-ATP_decoy_scores.csv |
1DFH-NAD | data/1D/1DFH-NAD/1DFH-NAD_ligand.pdbqt | data/1D/1DFH-NAD/1DFH-NAD_target.pdbqt | null | null |
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