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 ⌀ |
|---|---|---|---|---|
1JYV-145 | data/1J/1JYV-145/1JYV-145_ligand.pdbqt | data/1J/1JYV-145/1JYV-145_target.pdbqt | data/1J/1JYV-145/1JYV-145_decoys.pdbqt | data/1J/1JYV-145/1JYV-145_decoy_scores.csv |
1JOL-FFO | data/1J/1JOL-FFO/1JOL-FFO_ligand.pdbqt | data/1J/1JOL-FFO/1JOL-FFO_target.pdbqt | data/1J/1JOL-FFO/1JOL-FFO_decoys.pdbqt | data/1J/1JOL-FFO/1JOL-FFO_decoy_scores.csv |
1JTE-SAH | data/1J/1JTE-SAH/1JTE-SAH_ligand.pdbqt | data/1J/1JTE-SAH/1JTE-SAH_target.pdbqt | data/1J/1JTE-SAH/1JTE-SAH_decoys.pdbqt | data/1J/1JTE-SAH/1JTE-SAH_decoy_scores.csv |
1JQY-A32 | data/1J/1JQY-A32/1JQY-A32_ligand.pdbqt | data/1J/1JQY-A32/1JQY-A32_target.pdbqt | data/1J/1JQY-A32/1JQY-A32_decoys.pdbqt | data/1J/1JQY-A32/1JQY-A32_decoy_scores.csv |
1J3K-UMP | data/1J/1J3K-UMP/1J3K-UMP_ligand.pdbqt | data/1J/1J3K-UMP/1J3K-UMP_target.pdbqt | data/1J/1J3K-UMP/1J3K-UMP_decoys.pdbqt | data/1J/1J3K-UMP/1J3K-UMP_decoy_scores.csv |
1JAH-GCP | data/1J/1JAH-GCP/1JAH-GCP_ligand.pdbqt | data/1J/1JAH-GCP/1JAH-GCP_target.pdbqt | data/1J/1JAH-GCP/1JAH-GCP_decoys.pdbqt | data/1J/1JAH-GCP/1JAH-GCP_decoy_scores.csv |
1JG1-SAH | data/1J/1JG1-SAH/1JG1-SAH_ligand.pdbqt | data/1J/1JG1-SAH/1JG1-SAH_target.pdbqt | data/1J/1JG1-SAH/1JG1-SAH_decoys.pdbqt | data/1J/1JG1-SAH/1JG1-SAH_decoy_scores.csv |
1JQN-DCO | data/1J/1JQN-DCO/1JQN-DCO_ligand.pdbqt | data/1J/1JQN-DCO/1JQN-DCO_target.pdbqt | data/1J/1JQN-DCO/1JQN-DCO_decoys.pdbqt | data/1J/1JQN-DCO/1JQN-DCO_decoy_scores.csv |
1JF0-CZH | data/1J/1JF0-CZH/1JF0-CZH_ligand.pdbqt | data/1J/1JF0-CZH/1JF0-CZH_target.pdbqt | data/1J/1JF0-CZH/1JF0-CZH_decoys.pdbqt | data/1J/1JF0-CZH/1JF0-CZH_decoy_scores.csv |
1JX2-BGC | data/1J/1JX2-BGC/1JX2-BGC_ligand.pdbqt | data/1J/1JX2-BGC/1JX2-BGC_target.pdbqt | data/1J/1JX2-BGC/1JX2-BGC_decoys.pdbqt | data/1J/1JX2-BGC/1JX2-BGC_decoy_scores.csv |
1JV6-LI1 | data/1J/1JV6-LI1/1JV6-LI1_ligand.pdbqt | data/1J/1JV6-LI1/1JV6-LI1_target.pdbqt | data/1J/1JV6-LI1/1JV6-LI1_decoys.pdbqt | data/1J/1JV6-LI1/1JV6-LI1_decoy_scores.csv |
1J7K-ATP | data/1J/1J7K-ATP/1J7K-ATP_ligand.pdbqt | data/1J/1J7K-ATP/1J7K-ATP_target.pdbqt | data/1J/1J7K-ATP/1J7K-ATP_decoys.pdbqt | data/1J/1J7K-ATP/1J7K-ATP_decoy_scores.csv |
1JMF-UMP | data/1J/1JMF-UMP/1JMF-UMP_ligand.pdbqt | data/1J/1JMF-UMP/1JMF-UMP_target.pdbqt | data/1J/1JMF-UMP/1JMF-UMP_decoys.pdbqt | data/1J/1JMF-UMP/1JMF-UMP_decoy_scores.csv |
1JYS-ADE | data/1J/1JYS-ADE/1JYS-ADE_ligand.pdbqt | data/1J/1JYS-ADE/1JYS-ADE_target.pdbqt | data/1J/1JYS-ADE/1JYS-ADE_decoys.pdbqt | data/1J/1JYS-ADE/1JYS-ADE_decoy_scores.csv |
1JZ2-BTB | data/1J/1JZ2-BTB/1JZ2-BTB_ligand.pdbqt | data/1J/1JZ2-BTB/1JZ2-BTB_target.pdbqt | data/1J/1JZ2-BTB/1JZ2-BTB_decoys.pdbqt | data/1J/1JZ2-BTB/1JZ2-BTB_decoy_scores.csv |
1JWY-GDP | data/1J/1JWY-GDP/1JWY-GDP_ligand.pdbqt | data/1J/1JWY-GDP/1JWY-GDP_target.pdbqt | data/1J/1JWY-GDP/1JWY-GDP_decoys.pdbqt | data/1J/1JWY-GDP/1JWY-GDP_decoy_scores.csv |
1JX1-DFV | data/1J/1JX1-DFV/1JX1-DFV_ligand.pdbqt | data/1J/1JX1-DFV/1JX1-DFV_target.pdbqt | data/1J/1JX1-DFV/1JX1-DFV_decoys.pdbqt | data/1J/1JX1-DFV/1JX1-DFV_decoy_scores.csv |
1JRB-FMN | data/1J/1JRB-FMN/1JRB-FMN_ligand.pdbqt | data/1J/1JRB-FMN/1JRB-FMN_target.pdbqt | data/1J/1JRB-FMN/1JRB-FMN_decoys.pdbqt | data/1J/1JRB-FMN/1JRB-FMN_decoy_scores.csv |
1J20-AS1 | data/1J/1J20-AS1/1J20-AS1_ligand.pdbqt | data/1J/1J20-AS1/1J20-AS1_target.pdbqt | data/1J/1J20-AS1/1J20-AS1_decoys.pdbqt | data/1J/1J20-AS1/1J20-AS1_decoy_scores.csv |
1JS3-142 | data/1J/1JS3-142/1JS3-142_ligand.pdbqt | data/1J/1JS3-142/1JS3-142_target.pdbqt | data/1J/1JS3-142/1JS3-142_decoys.pdbqt | data/1J/1JS3-142/1JS3-142_decoy_scores.csv |
1JCY-R5P | data/1J/1JCY-R5P/1JCY-R5P_ligand.pdbqt | data/1J/1JCY-R5P/1JCY-R5P_target.pdbqt | data/1J/1JCY-R5P/1JCY-R5P_decoys.pdbqt | data/1J/1JCY-R5P/1JCY-R5P_decoy_scores.csv |
1JV7-RET | data/1J/1JV7-RET/1JV7-RET_ligand.pdbqt | data/1J/1JV7-RET/1JV7-RET_target.pdbqt | data/1J/1JV7-RET/1JV7-RET_decoys.pdbqt | data/1J/1JV7-RET/1JV7-RET_decoy_scores.csv |
1J79-ORO | data/1J/1J79-ORO/1J79-ORO_ligand.pdbqt | data/1J/1J79-ORO/1J79-ORO_target.pdbqt | data/1J/1J79-ORO/1J79-ORO_decoys.pdbqt | data/1J/1J79-ORO/1J79-ORO_decoy_scores.csv |
1JDB-ADP | data/1J/1JDB-ADP/1JDB-ADP_ligand.pdbqt | data/1J/1JDB-ADP/1JDB-ADP_target.pdbqt | data/1J/1JDB-ADP/1JDB-ADP_decoys.pdbqt | data/1J/1JDB-ADP/1JDB-ADP_decoy_scores.csv |
1JUY-GDP | data/1J/1JUY-GDP/1JUY-GDP_ligand.pdbqt | data/1J/1JUY-GDP/1JUY-GDP_target.pdbqt | data/1J/1JUY-GDP/1JUY-GDP_decoys.pdbqt | data/1J/1JUY-GDP/1JUY-GDP_decoy_scores.csv |
1JZ2-2FG | data/1J/1JZ2-2FG/1JZ2-2FG_ligand.pdbqt | data/1J/1JZ2-2FG/1JZ2-2FG_target.pdbqt | data/1J/1JZ2-2FG/1JZ2-2FG_decoys.pdbqt | data/1J/1JZ2-2FG/1JZ2-2FG_decoy_scores.csv |
1JUE-FMN | data/1J/1JUE-FMN/1JUE-FMN_ligand.pdbqt | data/1J/1JUE-FMN/1JUE-FMN_target.pdbqt | data/1J/1JUE-FMN/1JUE-FMN_decoys.pdbqt | data/1J/1JUE-FMN/1JUE-FMN_decoy_scores.csv |
1JKF-NAD | data/1J/1JKF-NAD/1JKF-NAD_ligand.pdbqt | data/1J/1JKF-NAD/1JKF-NAD_target.pdbqt | data/1J/1JKF-NAD/1JKF-NAD_decoys.pdbqt | data/1J/1JKF-NAD/1JKF-NAD_decoy_scores.csv |
1JWY-BGC | data/1J/1JWY-BGC/1JWY-BGC_ligand.pdbqt | data/1J/1JWY-BGC/1JWY-BGC_target.pdbqt | data/1J/1JWY-BGC/1JWY-BGC_decoys.pdbqt | data/1J/1JWY-BGC/1JWY-BGC_decoy_scores.csv |
4TQA-GDP | data/4T/4TQA-GDP/4TQA-GDP_ligand.pdbqt | data/4T/4TQA-GDP/4TQA-GDP_target.pdbqt | data/4T/4TQA-GDP/4TQA-GDP_decoys.pdbqt | data/4T/4TQA-GDP/4TQA-GDP_decoy_scores.csv |
4TO4-DCP | data/4T/4TO4-DCP/4TO4-DCP_ligand.pdbqt | data/4T/4TO4-DCP/4TO4-DCP_target.pdbqt | data/4T/4TO4-DCP/4TO4-DCP_decoys.pdbqt | data/4T/4TO4-DCP/4TO4-DCP_decoy_scores.csv |
4TZ2-39R | data/4T/4TZ2-39R/4TZ2-39R_ligand.pdbqt | data/4T/4TZ2-39R/4TZ2-39R_target.pdbqt | data/4T/4TZ2-39R/4TZ2-39R_decoys.pdbqt | data/4T/4TZ2-39R/4TZ2-39R_decoy_scores.csv |
4TL8-AGS | data/4T/4TL8-AGS/4TL8-AGS_ligand.pdbqt | data/4T/4TL8-AGS/4TL8-AGS_target.pdbqt | data/4T/4TL8-AGS/4TL8-AGS_decoys.pdbqt | data/4T/4TL8-AGS/4TL8-AGS_decoy_scores.csv |
4TMB-FMN | data/4T/4TMB-FMN/4TMB-FMN_ligand.pdbqt | data/4T/4TMB-FMN/4TMB-FMN_target.pdbqt | data/4T/4TMB-FMN/4TMB-FMN_decoys.pdbqt | data/4T/4TMB-FMN/4TMB-FMN_decoy_scores.csv |
4TQH-ES8 | data/4T/4TQH-ES8/4TQH-ES8_ligand.pdbqt | data/4T/4TQH-ES8/4TQH-ES8_target.pdbqt | data/4T/4TQH-ES8/4TQH-ES8_decoys.pdbqt | data/4T/4TQH-ES8/4TQH-ES8_decoy_scores.csv |
4TNZ-GTP | data/4T/4TNZ-GTP/4TNZ-GTP_ligand.pdbqt | data/4T/4TNZ-GTP/4TNZ-GTP_target.pdbqt | data/4T/4TNZ-GTP/4TNZ-GTP_decoys.pdbqt | data/4T/4TNZ-GTP/4TNZ-GTP_decoy_scores.csv |
4TL6-ANP | data/4T/4TL6-ANP/4TL6-ANP_ligand.pdbqt | data/4T/4TL6-ANP/4TL6-ANP_target.pdbqt | data/4T/4TL6-ANP/4TL6-ANP_decoys.pdbqt | data/4T/4TL6-ANP/4TL6-ANP_decoy_scores.csv |
4TRF-35J | data/4T/4TRF-35J/4TRF-35J_ligand.pdbqt | data/4T/4TRF-35J/4TRF-35J_target.pdbqt | data/4T/4TRF-35J/4TRF-35J_decoys.pdbqt | data/4T/4TRF-35J/4TRF-35J_decoy_scores.csv |
4TZT-468 | data/4T/4TZT-468/4TZT-468_ligand.pdbqt | data/4T/4TZT-468/4TZT-468_target.pdbqt | data/4T/4TZT-468/4TZT-468_decoys.pdbqt | data/4T/4TZT-468/4TZT-468_decoy_scores.csv |
4TO3-DGT | data/4T/4TO3-DGT/4TO3-DGT_ligand.pdbqt | data/4T/4TO3-DGT/4TO3-DGT_target.pdbqt | data/4T/4TO3-DGT/4TO3-DGT_decoys.pdbqt | data/4T/4TO3-DGT/4TO3-DGT_decoy_scores.csv |
4TNB-SGV | data/4T/4TNB-SGV/4TNB-SGV_ligand.pdbqt | data/4T/4TNB-SGV/4TNB-SGV_target.pdbqt | data/4T/4TNB-SGV/4TNB-SGV_decoys.pdbqt | data/4T/4TNB-SGV/4TNB-SGV_decoy_scores.csv |
4TO2-DGT | data/4T/4TO2-DGT/4TO2-DGT_ligand.pdbqt | data/4T/4TO2-DGT/4TO2-DGT_target.pdbqt | data/4T/4TO2-DGT/4TO2-DGT_decoys.pdbqt | data/4T/4TO2-DGT/4TO2-DGT_decoy_scores.csv |
4TPO-TRP | data/4T/4TPO-TRP/4TPO-TRP_ligand.pdbqt | data/4T/4TPO-TRP/4TPO-TRP_target.pdbqt | data/4T/4TPO-TRP/4TPO-TRP_decoys.pdbqt | data/4T/4TPO-TRP/4TPO-TRP_decoy_scores.csv |
4TU4-37N | data/4T/4TU4-37N/4TU4-37N_ligand.pdbqt | data/4T/4TU4-37N/4TU4-37N_target.pdbqt | data/4T/4TU4-37N/4TU4-37N_decoys.pdbqt | data/4T/4TU4-37N/4TU4-37N_decoy_scores.csv |
4TKJ-GLP | data/4T/4TKJ-GLP/4TKJ-GLP_ligand.pdbqt | data/4T/4TKJ-GLP/4TKJ-GLP_target.pdbqt | data/4T/4TKJ-GLP/4TKJ-GLP_decoys.pdbqt | data/4T/4TKJ-GLP/4TKJ-GLP_decoy_scores.csv |
4TWP-AXI | data/4T/4TWP-AXI/4TWP-AXI_ligand.pdbqt | data/4T/4TWP-AXI/4TWP-AXI_target.pdbqt | data/4T/4TWP-AXI/4TWP-AXI_decoys.pdbqt | data/4T/4TWP-AXI/4TWP-AXI_decoy_scores.csv |
4TWL-ASC | data/4T/4TWL-ASC/4TWL-ASC_ligand.pdbqt | data/4T/4TWL-ASC/4TWL-ASC_target.pdbqt | data/4T/4TWL-ASC/4TWL-ASC_decoys.pdbqt | data/4T/4TWL-ASC/4TWL-ASC_decoy_scores.csv |
4TRJ-665 | data/4T/4TRJ-665/4TRJ-665_ligand.pdbqt | data/4T/4TRJ-665/4TRJ-665_target.pdbqt | data/4T/4TRJ-665/4TRJ-665_decoys.pdbqt | data/4T/4TRJ-665/4TRJ-665_decoy_scores.csv |
4TYL-39O | data/4T/4TYL-39O/4TYL-39O_ligand.pdbqt | data/4T/4TYL-39O/4TYL-39O_target.pdbqt | data/4T/4TYL-39O/4TYL-39O_decoys.pdbqt | data/4T/4TYL-39O/4TYL-39O_decoy_scores.csv |
4TWS-DO3 | data/4T/4TWS-DO3/4TWS-DO3_ligand.pdbqt | data/4T/4TWS-DO3/4TWS-DO3_target.pdbqt | null | null |
4TZT-NAD | data/4T/4TZT-NAD/4TZT-NAD_ligand.pdbqt | data/4T/4TZT-NAD/4TZT-NAD_target.pdbqt | data/4T/4TZT-NAD/4TZT-NAD_decoys.pdbqt | data/4T/4TZT-NAD/4TZT-NAD_decoy_scores.csv |
4TV8-GDP | data/4T/4TV8-GDP/4TV8-GDP_ligand.pdbqt | data/4T/4TV8-GDP/4TV8-GDP_target.pdbqt | data/4T/4TV8-GDP/4TV8-GDP_decoys.pdbqt | data/4T/4TV8-GDP/4TV8-GDP_decoy_scores.csv |
4TK5-UHB | data/4T/4TK5-UHB/4TK5-UHB_ligand.pdbqt | data/4T/4TK5-UHB/4TK5-UHB_target.pdbqt | data/4T/4TK5-UHB/4TK5-UHB_decoys.pdbqt | data/4T/4TK5-UHB/4TK5-UHB_decoy_scores.csv |
4TQ3-GPP | data/4T/4TQ3-GPP/4TQ3-GPP_ligand.pdbqt | data/4T/4TQ3-GPP/4TQ3-GPP_target.pdbqt | data/4T/4TQ3-GPP/4TQ3-GPP_decoys.pdbqt | data/4T/4TQ3-GPP/4TQ3-GPP_decoy_scores.csv |
4TO4-GTP | data/4T/4TO4-GTP/4TO4-GTP_ligand.pdbqt | data/4T/4TO4-GTP/4TO4-GTP_target.pdbqt | data/4T/4TO4-GTP/4TO4-GTP_decoys.pdbqt | data/4T/4TO4-GTP/4TO4-GTP_decoy_scores.csv |
4TS5-AMP | data/4T/4TS5-AMP/4TS5-AMP_ligand.pdbqt | data/4T/4TS5-AMP/4TS5-AMP_target.pdbqt | data/4T/4TS5-AMP/4TS5-AMP_decoys.pdbqt | data/4T/4TS5-AMP/4TS5-AMP_decoy_scores.csv |
4TUN-MVH | data/4T/4TUN-MVH/4TUN-MVH_ligand.pdbqt | data/4T/4TUN-MVH/4TUN-MVH_target.pdbqt | data/4T/4TUN-MVH/4TUN-MVH_decoys.pdbqt | data/4T/4TUN-MVH/4TUN-MVH_decoy_scores.csv |
4TQQ-UQ1 | data/4T/4TQQ-UQ1/4TQQ-UQ1_ligand.pdbqt | data/4T/4TQQ-UQ1/4TQQ-UQ1_target.pdbqt | data/4T/4TQQ-UQ1/4TQQ-UQ1_decoys.pdbqt | data/4T/4TQQ-UQ1/4TQQ-UQ1_decoy_scores.csv |
4TN4-33G | data/4T/4TN4-33G/4TN4-33G_ligand.pdbqt | data/4T/4TN4-33G/4TN4-33G_target.pdbqt | data/4T/4TN4-33G/4TN4-33G_decoys.pdbqt | data/4T/4TN4-33G/4TN4-33G_decoy_scores.csv |
4TPR-33O | data/4T/4TPR-33O/4TPR-33O_ligand.pdbqt | data/4T/4TPR-33O/4TPR-33O_target.pdbqt | data/4T/4TPR-33O/4TPR-33O_decoys.pdbqt | data/4T/4TPR-33O/4TPR-33O_decoy_scores.csv |
4TTA-FMC | data/4T/4TTA-FMC/4TTA-FMC_ligand.pdbqt | data/4T/4TTA-FMC/4TTA-FMC_target.pdbqt | data/4T/4TTA-FMC/4TTA-FMC_decoys.pdbqt | data/4T/4TTA-FMC/4TTA-FMC_decoy_scores.csv |
4TMX-GTP | data/4T/4TMX-GTP/4TMX-GTP_ligand.pdbqt | data/4T/4TMX-GTP/4TMX-GTP_target.pdbqt | data/4T/4TMX-GTP/4TMX-GTP_decoys.pdbqt | data/4T/4TMX-GTP/4TMX-GTP_decoy_scores.csv |
4TLR-33H | data/4T/4TLR-33H/4TLR-33H_ligand.pdbqt | data/4T/4TLR-33H/4TLR-33H_target.pdbqt | data/4T/4TLR-33H/4TLR-33H_decoys.pdbqt | data/4T/4TLR-33H/4TLR-33H_decoy_scores.csv |
4TX9-AMZ | data/4T/4TX9-AMZ/4TX9-AMZ_ligand.pdbqt | data/4T/4TX9-AMZ/4TX9-AMZ_target.pdbqt | data/4T/4TX9-AMZ/4TX9-AMZ_decoys.pdbqt | data/4T/4TX9-AMZ/4TX9-AMZ_decoy_scores.csv |
4TS3-FMC | data/4T/4TS3-FMC/4TS3-FMC_ligand.pdbqt | data/4T/4TS3-FMC/4TS3-FMC_target.pdbqt | data/4T/4TS3-FMC/4TS3-FMC_decoys.pdbqt | data/4T/4TS3-FMC/4TS3-FMC_decoy_scores.csv |
4TQC-M7G | data/4T/4TQC-M7G/4TQC-M7G_ligand.pdbqt | data/4T/4TQC-M7G/4TQC-M7G_target.pdbqt | data/4T/4TQC-M7G/4TQC-M7G_decoys.pdbqt | data/4T/4TQC-M7G/4TQC-M7G_decoy_scores.csv |
4TNS-REA | data/4T/4TNS-REA/4TNS-REA_ligand.pdbqt | data/4T/4TNS-REA/4TNS-REA_target.pdbqt | data/4T/4TNS-REA/4TNS-REA_decoys.pdbqt | data/4T/4TNS-REA/4TNS-REA_decoy_scores.csv |
4TV9-GDP | data/4T/4TV9-GDP/4TV9-GDP_ligand.pdbqt | data/4T/4TV9-GDP/4TV9-GDP_target.pdbqt | data/4T/4TV9-GDP/4TV9-GDP_decoys.pdbqt | data/4T/4TV9-GDP/4TV9-GDP_decoy_scores.csv |
4TXC-38G | data/4T/4TXC-38G/4TXC-38G_ligand.pdbqt | data/4T/4TXC-38G/4TXC-38G_target.pdbqt | data/4T/4TXC-38G/4TXC-38G_decoys.pdbqt | data/4T/4TXC-38G/4TXC-38G_decoy_scores.csv |
4TKG-09L | data/4T/4TKG-09L/4TKG-09L_ligand.pdbqt | data/4T/4TKG-09L/4TKG-09L_target.pdbqt | data/4T/4TKG-09L/4TKG-09L_decoys.pdbqt | data/4T/4TKG-09L/4TKG-09L_decoy_scores.csv |
4TNX-GTP | data/4T/4TNX-GTP/4TNX-GTP_ligand.pdbqt | data/4T/4TNX-GTP/4TNX-GTP_target.pdbqt | data/4T/4TNX-GTP/4TNX-GTP_decoys.pdbqt | data/4T/4TNX-GTP/4TNX-GTP_decoy_scores.csv |
4TXJ-THM | data/4T/4TXJ-THM/4TXJ-THM_ligand.pdbqt | data/4T/4TXJ-THM/4TXJ-THM_target.pdbqt | data/4T/4TXJ-THM/4TXJ-THM_decoys.pdbqt | data/4T/4TXJ-THM/4TXJ-THM_decoy_scores.csv |
4TN6-PFO | data/4T/4TN6-PFO/4TN6-PFO_ligand.pdbqt | data/4T/4TN6-PFO/4TN6-PFO_target.pdbqt | data/4T/4TN6-PFO/4TN6-PFO_decoys.pdbqt | data/4T/4TN6-PFO/4TN6-PFO_decoy_scores.csv |
4TQ9-GDP | data/4T/4TQ9-GDP/4TQ9-GDP_ligand.pdbqt | data/4T/4TQ9-GDP/4TQ9-GDP_target.pdbqt | data/4T/4TQ9-GDP/4TQ9-GDP_decoys.pdbqt | data/4T/4TQ9-GDP/4TQ9-GDP_decoy_scores.csv |
4TND-ANP | data/4T/4TND-ANP/4TND-ANP_ligand.pdbqt | data/4T/4TND-ANP/4TND-ANP_target.pdbqt | data/4T/4TND-ANP/4TND-ANP_decoys.pdbqt | data/4T/4TND-ANP/4TND-ANP_decoy_scores.csv |
4TX8-FLC | data/4T/4TX8-FLC/4TX8-FLC_ligand.pdbqt | data/4T/4TX8-FLC/4TX8-FLC_target.pdbqt | data/4T/4TX8-FLC/4TX8-FLC_decoys.pdbqt | data/4T/4TX8-FLC/4TX8-FLC_decoy_scores.csv |
4TVJ-09L | data/4T/4TVJ-09L/4TVJ-09L_ligand.pdbqt | data/4T/4TVJ-09L/4TVJ-09L_target.pdbqt | data/4T/4TVJ-09L/4TVJ-09L_decoys.pdbqt | data/4T/4TVJ-09L/4TVJ-09L_decoy_scores.csv |
4TJY-3GN | data/4T/4TJY-3GN/4TJY-3GN_ligand.pdbqt | data/4T/4TJY-3GN/4TJY-3GN_target.pdbqt | data/4T/4TJY-3GN/4TJY-3GN_decoys.pdbqt | data/4T/4TJY-3GN/4TJY-3GN_decoy_scores.csv |
4TK0-32Z | data/4T/4TK0-32Z/4TK0-32Z_ligand.pdbqt | data/4T/4TK0-32Z/4TK0-32Z_target.pdbqt | data/4T/4TK0-32Z/4TK0-32Z_decoys.pdbqt | data/4T/4TK0-32Z/4TK0-32Z_decoy_scores.csv |
4TMF-JS2 | data/4T/4TMF-JS2/4TMF-JS2_ligand.pdbqt | data/4T/4TMF-JS2/4TMF-JS2_target.pdbqt | data/4T/4TMF-JS2/4TMF-JS2_decoys.pdbqt | data/4T/4TMF-JS2/4TMF-JS2_decoy_scores.csv |
4TZK-641 | data/4T/4TZK-641/4TZK-641_ligand.pdbqt | data/4T/4TZK-641/4TZK-641_target.pdbqt | data/4T/4TZK-641/4TZK-641_decoys.pdbqt | data/4T/4TZK-641/4TZK-641_decoy_scores.csv |
4TLR-79Z | data/4T/4TLR-79Z/4TLR-79Z_ligand.pdbqt | data/4T/4TLR-79Z/4TLR-79Z_target.pdbqt | data/4T/4TLR-79Z/4TLR-79Z_decoys.pdbqt | data/4T/4TLR-79Z/4TLR-79Z_decoy_scores.csv |
4TS1-TYR | data/4T/4TS1-TYR/4TS1-TYR_ligand.pdbqt | data/4T/4TS1-TYR/4TS1-TYR_target.pdbqt | data/4T/4TS1-TYR/4TS1-TYR_decoys.pdbqt | data/4T/4TS1-TYR/4TS1-TYR_decoy_scores.csv |
4TYT-S3C | data/4T/4TYT-S3C/4TYT-S3C_ligand.pdbqt | data/4T/4TYT-S3C/4TYT-S3C_target.pdbqt | data/4T/4TYT-S3C/4TYT-S3C_decoys.pdbqt | data/4T/4TYT-S3C/4TYT-S3C_decoy_scores.csv |
4TQB-34K | data/4T/4TQB-34K/4TQB-34K_ligand.pdbqt | data/4T/4TQB-34K/4TQB-34K_target.pdbqt | data/4T/4TQB-34K/4TQB-34K_decoys.pdbqt | data/4T/4TQB-34K/4TQB-34K_decoy_scores.csv |
4TVB-NAI | data/4T/4TVB-NAI/4TVB-NAI_ligand.pdbqt | data/4T/4TVB-NAI/4TVB-NAI_target.pdbqt | data/4T/4TVB-NAI/4TVB-NAI_decoys.pdbqt | data/4T/4TVB-NAI/4TVB-NAI_decoy_scores.csv |
4TMV-GSP | data/4T/4TMV-GSP/4TMV-GSP_ligand.pdbqt | data/4T/4TMV-GSP/4TMV-GSP_target.pdbqt | data/4T/4TMV-GSP/4TMV-GSP_decoys.pdbqt | data/4T/4TMV-GSP/4TMV-GSP_decoy_scores.csv |
4TUY-GDP | data/4T/4TUY-GDP/4TUY-GDP_ligand.pdbqt | data/4T/4TUY-GDP/4TUY-GDP_target.pdbqt | data/4T/4TUY-GDP/4TUY-GDP_decoys.pdbqt | data/4T/4TUY-GDP/4TUY-GDP_decoy_scores.csv |
4TTB-FMN | data/4T/4TTB-FMN/4TTB-FMN_ligand.pdbqt | data/4T/4TTB-FMN/4TTB-FMN_target.pdbqt | data/4T/4TTB-FMN/4TTB-FMN_decoys.pdbqt | data/4T/4TTB-FMN/4TTB-FMN_decoy_scores.csv |
4TV1-36M | data/4T/4TV1-36M/4TV1-36M_ligand.pdbqt | data/4T/4TV1-36M/4TV1-36M_target.pdbqt | data/4T/4TV1-36M/4TV1-36M_decoys.pdbqt | data/4T/4TV1-36M/4TV1-36M_decoy_scores.csv |
4TYV-BGC | data/4T/4TYV-BGC/4TYV-BGC_ligand.pdbqt | data/4T/4TYV-BGC/4TYV-BGC_target.pdbqt | data/4T/4TYV-BGC/4TYV-BGC_decoys.pdbqt | data/4T/4TYV-BGC/4TYV-BGC_decoy_scores.csv |
4TKI-33E | data/4T/4TKI-33E/4TKI-33E_ligand.pdbqt | data/4T/4TKI-33E/4TKI-33E_target.pdbqt | data/4T/4TKI-33E/4TKI-33E_decoys.pdbqt | data/4T/4TKI-33E/4TKI-33E_decoy_scores.csv |
4TXE-38F | data/4T/4TXE-38F/4TXE-38F_ligand.pdbqt | data/4T/4TXE-38F/4TXE-38F_target.pdbqt | data/4T/4TXE-38F/4TXE-38F_decoys.pdbqt | data/4T/4TXE-38F/4TXE-38F_decoy_scores.csv |
4TVD-BGC | data/4T/4TVD-BGC/4TVD-BGC_ligand.pdbqt | data/4T/4TVD-BGC/4TVD-BGC_target.pdbqt | data/4T/4TVD-BGC/4TVD-BGC_decoys.pdbqt | data/4T/4TVD-BGC/4TVD-BGC_decoy_scores.csv |
4TQN-UL4 | data/4T/4TQN-UL4/4TQN-UL4_ligand.pdbqt | data/4T/4TQN-UL4/4TQN-UL4_target.pdbqt | data/4T/4TQN-UL4/4TQN-UL4_decoys.pdbqt | data/4T/4TQN-UL4/4TQN-UL4_decoy_scores.csv |
4TIM-2PG | data/4T/4TIM-2PG/4TIM-2PG_ligand.pdbqt | data/4T/4TIM-2PG/4TIM-2PG_target.pdbqt | data/4T/4TIM-2PG/4TIM-2PG_decoys.pdbqt | data/4T/4TIM-2PG/4TIM-2PG_decoy_scores.csv |
4TLG-11A | data/4T/4TLG-11A/4TLG-11A_ligand.pdbqt | data/4T/4TLG-11A/4TLG-11A_target.pdbqt | data/4T/4TLG-11A/4TLG-11A_decoys.pdbqt | data/4T/4TLG-11A/4TLG-11A_decoy_scores.csv |
4TV9-3H4 | data/4T/4TV9-3H4/4TV9-3H4_ligand.pdbqt | data/4T/4TV9-3H4/4TV9-3H4_target.pdbqt | data/4T/4TV9-3H4/4TV9-3H4_decoys.pdbqt | data/4T/4TV9-3H4/4TV9-3H4_decoy_scores.csv |
4TWR-NAD | data/4T/4TWR-NAD/4TWR-NAD_ligand.pdbqt | data/4T/4TWR-NAD/4TWR-NAD_target.pdbqt | data/4T/4TWR-NAD/4TWR-NAD_decoys.pdbqt | data/4T/4TWR-NAD/4TWR-NAD_decoy_scores.csv |
4TR9-38D | data/4T/4TR9-38D/4TR9-38D_ligand.pdbqt | data/4T/4TR9-38D/4TR9-38D_target.pdbqt | data/4T/4TR9-38D/4TR9-38D_decoys.pdbqt | data/4T/4TR9-38D/4TR9-38D_decoy_scores.csv |
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