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 ⌀ |
|---|---|---|---|---|
4M73-M72 | data/4M/4M73-M72/4M73-M72_ligand.pdbqt | data/4M/4M73-M72/4M73-M72_target.pdbqt | data/4M/4M73-M72/4M73-M72_decoys.pdbqt | data/4M/4M73-M72/4M73-M72_decoy_scores.csv |
4MRS-GDS | data/4M/4MRS-GDS/4MRS-GDS_ligand.pdbqt | data/4M/4MRS-GDS/4MRS-GDS_target.pdbqt | data/4M/4MRS-GDS/4MRS-GDS_decoys.pdbqt | data/4M/4MRS-GDS/4MRS-GDS_decoy_scores.csv |
4MNX-29N | data/4M/4MNX-29N/4MNX-29N_ligand.pdbqt | data/4M/4MNX-29N/4MNX-29N_target.pdbqt | data/4M/4MNX-29N/4MNX-29N_decoys.pdbqt | data/4M/4MNX-29N/4MNX-29N_decoy_scores.csv |
4MIJ-GTR | data/4M/4MIJ-GTR/4MIJ-GTR_ligand.pdbqt | data/4M/4MIJ-GTR/4MIJ-GTR_target.pdbqt | data/4M/4MIJ-GTR/4MIJ-GTR_decoys.pdbqt | data/4M/4MIJ-GTR/4MIJ-GTR_decoy_scores.csv |
4MHY-PBD | data/4M/4MHY-PBD/4MHY-PBD_ligand.pdbqt | data/4M/4MHY-PBD/4MHY-PBD_target.pdbqt | data/4M/4MHY-PBD/4MHY-PBD_decoys.pdbqt | data/4M/4MHY-PBD/4MHY-PBD_decoy_scores.csv |
4MRV-LDA | data/4M/4MRV-LDA/4MRV-LDA_ligand.pdbqt | data/4M/4MRV-LDA/4MRV-LDA_target.pdbqt | data/4M/4MRV-LDA/4MRV-LDA_decoys.pdbqt | data/4M/4MRV-LDA/4MRV-LDA_decoy_scores.csv |
4MV5-2E7 | data/4M/4MV5-2E7/4MV5-2E7_ligand.pdbqt | data/4M/4MV5-2E7/4MV5-2E7_target.pdbqt | data/4M/4MV5-2E7/4MV5-2E7_decoys.pdbqt | data/4M/4MV5-2E7/4MV5-2E7_decoy_scores.csv |
4MHW-BNG | data/4M/4MHW-BNG/4MHW-BNG_ligand.pdbqt | data/4M/4MHW-BNG/4MHW-BNG_target.pdbqt | data/4M/4MHW-BNG/4MHW-BNG_decoys.pdbqt | data/4M/4MHW-BNG/4MHW-BNG_decoy_scores.csv |
4M2G-2OR | data/4M/4M2G-2OR/4M2G-2OR_ligand.pdbqt | data/4M/4M2G-2OR/4M2G-2OR_target.pdbqt | data/4M/4M2G-2OR/4M2G-2OR_decoys.pdbqt | data/4M/4M2G-2OR/4M2G-2OR_decoy_scores.csv |
4MLB-CXE | data/4M/4MLB-CXE/4MLB-CXE_ligand.pdbqt | data/4M/4MLB-CXE/4MLB-CXE_target.pdbqt | data/4M/4MLB-CXE/4MLB-CXE_decoys.pdbqt | data/4M/4MLB-CXE/4MLB-CXE_decoy_scores.csv |
4MFQ-DKA | data/4M/4MFQ-DKA/4MFQ-DKA_ligand.pdbqt | data/4M/4MFQ-DKA/4MFQ-DKA_target.pdbqt | data/4M/4MFQ-DKA/4MFQ-DKA_decoys.pdbqt | data/4M/4MFQ-DKA/4MFQ-DKA_decoy_scores.csv |
4MFP-DKA | data/4M/4MFP-DKA/4MFP-DKA_ligand.pdbqt | data/4M/4MFP-DKA/4MFP-DKA_target.pdbqt | data/4M/4MFP-DKA/4MFP-DKA_decoys.pdbqt | data/4M/4MFP-DKA/4MFP-DKA_decoy_scores.csv |
4MKV-A8S | data/4M/4MKV-A8S/4MKV-A8S_ligand.pdbqt | data/4M/4MKV-A8S/4MKV-A8S_target.pdbqt | data/4M/4MKV-A8S/4MKV-A8S_decoys.pdbqt | data/4M/4MKV-A8S/4MKV-A8S_decoy_scores.csv |
4M8E-29V | data/4M/4M8E-29V/4M8E-29V_ligand.pdbqt | data/4M/4M8E-29V/4M8E-29V_target.pdbqt | data/4M/4M8E-29V/4M8E-29V_decoys.pdbqt | data/4M/4M8E-29V/4M8E-29V_decoy_scores.csv |
4M5L-YH4 | data/4M/4M5L-YH4/4M5L-YH4_ligand.pdbqt | data/4M/4M5L-YH4/4M5L-YH4_target.pdbqt | data/4M/4M5L-YH4/4M5L-YH4_decoys.pdbqt | data/4M/4M5L-YH4/4M5L-YH4_decoy_scores.csv |
4MK9-28R | data/4M/4MK9-28R/4MK9-28R_ligand.pdbqt | data/4M/4MK9-28R/4MK9-28R_target.pdbqt | data/4M/4MK9-28R/4MK9-28R_decoys.pdbqt | data/4M/4MK9-28R/4MK9-28R_decoy_scores.csv |
4M72-HF2 | data/4M/4M72-HF2/4M72-HF2_ligand.pdbqt | data/4M/4M72-HF2/4M72-HF2_target.pdbqt | data/4M/4M72-HF2/4M72-HF2_decoys.pdbqt | data/4M/4M72-HF2/4M72-HF2_decoy_scores.csv |
4MTB-BZY | data/4M/4MTB-BZY/4MTB-BZY_ligand.pdbqt | data/4M/4MTB-BZY/4MTB-BZY_target.pdbqt | data/4M/4MTB-BZY/4MTB-BZY_decoys.pdbqt | data/4M/4MTB-BZY/4MTB-BZY_decoy_scores.csv |
4M5A-DA2 | data/4M/4M5A-DA2/4M5A-DA2_ligand.pdbqt | data/4M/4M5A-DA2/4M5A-DA2_target.pdbqt | data/4M/4M5A-DA2/4M5A-DA2_decoys.pdbqt | data/4M/4M5A-DA2/4M5A-DA2_decoy_scores.csv |
4M6Q-20T | data/4M/4M6Q-20T/4M6Q-20T_ligand.pdbqt | data/4M/4M6Q-20T/4M6Q-20T_target.pdbqt | data/4M/4M6Q-20T/4M6Q-20T_decoys.pdbqt | data/4M/4M6Q-20T/4M6Q-20T_decoy_scores.csv |
4M19-LYS | data/4M/4M19-LYS/4M19-LYS_ligand.pdbqt | data/4M/4M19-LYS/4M19-LYS_target.pdbqt | data/4M/4M19-LYS/4M19-LYS_decoys.pdbqt | data/4M/4M19-LYS/4M19-LYS_decoy_scores.csv |
4M89-NAD | data/4M/4M89-NAD/4M89-NAD_ligand.pdbqt | data/4M/4M89-NAD/4M89-NAD_target.pdbqt | data/4M/4M89-NAD/4M89-NAD_decoys.pdbqt | data/4M/4M89-NAD/4M89-NAD_decoy_scores.csv |
4M56-GLO | data/4M/4M56-GLO/4M56-GLO_ligand.pdbqt | data/4M/4M56-GLO/4M56-GLO_target.pdbqt | data/4M/4M56-GLO/4M56-GLO_decoys.pdbqt | data/4M/4M56-GLO/4M56-GLO_decoy_scores.csv |
4MOL-2FG | data/4M/4MOL-2FG/4MOL-2FG_ligand.pdbqt | data/4M/4MOL-2FG/4MOL-2FG_target.pdbqt | data/4M/4MOL-2FG/4MOL-2FG_decoys.pdbqt | data/4M/4MOL-2FG/4MOL-2FG_decoy_scores.csv |
4MSK-2C8 | data/4M/4MSK-2C8/4MSK-2C8_ligand.pdbqt | data/4M/4MSK-2C8/4MSK-2C8_target.pdbqt | data/4M/4MSK-2C8/4MSK-2C8_decoys.pdbqt | data/4M/4MSK-2C8/4MSK-2C8_decoy_scores.csv |
4MUN-2DZ | data/4M/4MUN-2DZ/4MUN-2DZ_ligand.pdbqt | data/4M/4MUN-2DZ/4MUN-2DZ_target.pdbqt | data/4M/4MUN-2DZ/4MUN-2DZ_decoys.pdbqt | data/4M/4MUN-2DZ/4MUN-2DZ_decoy_scores.csv |
4M73-HF2 | data/4M/4M73-HF2/4M73-HF2_ligand.pdbqt | data/4M/4M73-HF2/4M73-HF2_target.pdbqt | data/4M/4M73-HF2/4M73-HF2_decoys.pdbqt | data/4M/4M73-HF2/4M73-HF2_decoy_scores.csv |
4MIB-28M | data/4M/4MIB-28M/4MIB-28M_ligand.pdbqt | data/4M/4MIB-28M/4MIB-28M_target.pdbqt | data/4M/4MIB-28M/4MIB-28M_decoys.pdbqt | data/4M/4MIB-28M/4MIB-28M_decoy_scores.csv |
4MG6-27G | data/4M/4MG6-27G/4MG6-27G_ligand.pdbqt | data/4M/4MG6-27G/4MG6-27G_target.pdbqt | data/4M/4MG6-27G/4MG6-27G_decoys.pdbqt | data/4M/4MG6-27G/4MG6-27G_decoy_scores.csv |
4MI6-26V | data/4M/4MI6-26V/4MI6-26V_ligand.pdbqt | data/4M/4MI6-26V/4MI6-26V_target.pdbqt | data/4M/4MI6-26V/4MI6-26V_decoys.pdbqt | data/4M/4MI6-26V/4MI6-26V_decoy_scores.csv |
4MKC-4MK | data/4M/4MKC-4MK/4MKC-4MK_ligand.pdbqt | data/4M/4MKC-4MK/4MKC-4MK_target.pdbqt | data/4M/4MKC-4MK/4MKC-4MK_decoys.pdbqt | data/4M/4MKC-4MK/4MKC-4MK_decoy_scores.csv |
4M1O-GDP | data/4M/4M1O-GDP/4M1O-GDP_ligand.pdbqt | data/4M/4M1O-GDP/4M1O-GDP_target.pdbqt | data/4M/4M1O-GDP/4M1O-GDP_decoys.pdbqt | data/4M/4M1O-GDP/4M1O-GDP_decoy_scores.csv |
4M21-21Y | data/4M/4M21-21Y/4M21-21Y_ligand.pdbqt | data/4M/4M21-21Y/4M21-21Y_target.pdbqt | data/4M/4M21-21Y/4M21-21Y_decoys.pdbqt | data/4M/4M21-21Y/4M21-21Y_decoy_scores.csv |
4MFQ-GCS | data/4M/4MFQ-GCS/4MFQ-GCS_ligand.pdbqt | data/4M/4MFQ-GCS/4MFQ-GCS_target.pdbqt | data/4M/4MFQ-GCS/4MFQ-GCS_decoys.pdbqt | data/4M/4MFQ-GCS/4MFQ-GCS_decoy_scores.csv |
4M0Y-M0Y | data/4M/4M0Y-M0Y/4M0Y-M0Y_ligand.pdbqt | data/4M/4M0Y-M0Y/4M0Y-M0Y_target.pdbqt | data/4M/4M0Y-M0Y/4M0Y-M0Y_decoys.pdbqt | data/4M/4M0Y-M0Y/4M0Y-M0Y_decoy_scores.csv |
4MYE-XMM | data/4M/4MYE-XMM/4MYE-XMM_ligand.pdbqt | data/4M/4MYE-XMM/4MYE-XMM_target.pdbqt | data/4M/4MYE-XMM/4MYE-XMM_decoys.pdbqt | data/4M/4MYE-XMM/4MYE-XMM_decoy_scores.csv |
4MLO-PAM | data/4M/4MLO-PAM/4MLO-PAM_ligand.pdbqt | data/4M/4MLO-PAM/4MLO-PAM_target.pdbqt | data/4M/4MLO-PAM/4MLO-PAM_decoys.pdbqt | data/4M/4MLO-PAM/4MLO-PAM_decoy_scores.csv |
4M49-NAI | data/4M/4M49-NAI/4M49-NAI_ligand.pdbqt | data/4M/4M49-NAI/4M49-NAI_target.pdbqt | data/4M/4M49-NAI/4M49-NAI_decoys.pdbqt | data/4M/4M49-NAI/4M49-NAI_decoy_scores.csv |
4MT4-3PK | data/4M/4MT4-3PK/4MT4-3PK_ligand.pdbqt | data/4M/4MT4-3PK/4MT4-3PK_target.pdbqt | data/4M/4MT4-3PK/4MT4-3PK_decoys.pdbqt | data/4M/4MT4-3PK/4MT4-3PK_decoy_scores.csv |
4M83-UDP | data/4M/4M83-UDP/4M83-UDP_ligand.pdbqt | data/4M/4M83-UDP/4M83-UDP_target.pdbqt | data/4M/4M83-UDP/4M83-UDP_decoys.pdbqt | data/4M/4M83-UDP/4M83-UDP_decoy_scores.csv |
4MME-29Q | data/4M/4MME-29Q/4MME-29Q_ligand.pdbqt | data/4M/4MME-29Q/4MME-29Q_target.pdbqt | data/4M/4MME-29Q/4MME-29Q_decoys.pdbqt | data/4M/4MME-29Q/4MME-29Q_decoy_scores.csv |
4MZB-MPO | data/4M/4MZB-MPO/4MZB-MPO_ligand.pdbqt | data/4M/4MZB-MPO/4MZB-MPO_target.pdbqt | data/4M/4MZB-MPO/4MZB-MPO_decoys.pdbqt | data/4M/4MZB-MPO/4MZB-MPO_decoy_scores.csv |
4M0R-644 | data/4M/4M0R-644/4M0R-644_ligand.pdbqt | data/4M/4M0R-644/4M0R-644_target.pdbqt | data/4M/4M0R-644/4M0R-644_decoys.pdbqt | data/4M/4M0R-644/4M0R-644_decoy_scores.csv |
4M54-NAI | data/4M/4M54-NAI/4M54-NAI_ligand.pdbqt | data/4M/4M54-NAI/4M54-NAI_target.pdbqt | data/4M/4M54-NAI/4M54-NAI_decoys.pdbqt | data/4M/4M54-NAI/4M54-NAI_decoy_scores.csv |
4MMB-SRE | data/4M/4MMB-SRE/4MMB-SRE_ligand.pdbqt | data/4M/4MMB-SRE/4MMB-SRE_target.pdbqt | data/4M/4MMB-SRE/4MMB-SRE_decoys.pdbqt | data/4M/4MMB-SRE/4MMB-SRE_decoy_scores.csv |
4MOF-G2F | data/4M/4MOF-G2F/4MOF-G2F_ligand.pdbqt | data/4M/4MOF-G2F/4MOF-G2F_target.pdbqt | data/4M/4MOF-G2F/4MOF-G2F_decoys.pdbqt | data/4M/4MOF-G2F/4MOF-G2F_decoy_scores.csv |
4MCH-61N | data/4M/4MCH-61N/4MCH-61N_ligand.pdbqt | data/4M/4MCH-61N/4MCH-61N_target.pdbqt | data/4M/4MCH-61N/4MCH-61N_decoys.pdbqt | data/4M/4MCH-61N/4MCH-61N_decoy_scores.csv |
4MK2-28B | data/4M/4MK2-28B/4MK2-28B_ligand.pdbqt | data/4M/4MK2-28B/4MK2-28B_target.pdbqt | data/4M/4MK2-28B/4MK2-28B_decoys.pdbqt | data/4M/4MK2-28B/4MK2-28B_decoy_scores.csv |
4MUH-2DN | data/4M/4MUH-2DN/4MUH-2DN_ligand.pdbqt | data/4M/4MUH-2DN/4MUH-2DN_target.pdbqt | data/4M/4MUH-2DN/4MUH-2DN_decoys.pdbqt | data/4M/4MUH-2DN/4MUH-2DN_decoy_scores.csv |
4MD1-SQL | data/4M/4MD1-SQL/4MD1-SQL_ligand.pdbqt | data/4M/4MD1-SQL/4MD1-SQL_target.pdbqt | data/4M/4MD1-SQL/4MD1-SQL_decoys.pdbqt | data/4M/4MD1-SQL/4MD1-SQL_decoy_scores.csv |
4MDA-RLT | data/4M/4MDA-RLT/4MDA-RLT_ligand.pdbqt | data/4M/4MDA-RLT/4MDA-RLT_target.pdbqt | data/4M/4MDA-RLT/4MDA-RLT_decoys.pdbqt | data/4M/4MDA-RLT/4MDA-RLT_decoy_scores.csv |
4MK4-CHD | data/4M/4MK4-CHD/4MK4-CHD_ligand.pdbqt | data/4M/4MK4-CHD/4MK4-CHD_target.pdbqt | data/4M/4MK4-CHD/4MK4-CHD_decoys.pdbqt | data/4M/4MK4-CHD/4MK4-CHD_decoy_scores.csv |
4MHW-P6G | data/4M/4MHW-P6G/4MHW-P6G_ligand.pdbqt | data/4M/4MHW-P6G/4MHW-P6G_target.pdbqt | data/4M/4MHW-P6G/4MHW-P6G_decoys.pdbqt | data/4M/4MHW-P6G/4MHW-P6G_decoy_scores.csv |
4M6X-SAH | data/4M/4M6X-SAH/4M6X-SAH_ligand.pdbqt | data/4M/4M6X-SAH/4M6X-SAH_target.pdbqt | data/4M/4M6X-SAH/4M6X-SAH_decoys.pdbqt | data/4M/4M6X-SAH/4M6X-SAH_decoy_scores.csv |
4MXJ-2G8 | data/4M/4MXJ-2G8/4MXJ-2G8_ligand.pdbqt | data/4M/4MXJ-2G8/4MXJ-2G8_target.pdbqt | data/4M/4MXJ-2G8/4MXJ-2G8_decoys.pdbqt | data/4M/4MXJ-2G8/4MXJ-2G8_decoy_scores.csv |
4M74-HF2 | data/4M/4M74-HF2/4M74-HF2_ligand.pdbqt | data/4M/4M74-HF2/4M74-HF2_target.pdbqt | data/4M/4M74-HF2/4M74-HF2_decoys.pdbqt | data/4M/4M74-HF2/4M74-HF2_decoy_scores.csv |
4MUE-2DH | data/4M/4MUE-2DH/4MUE-2DH_ligand.pdbqt | data/4M/4MUE-2DH/4MUE-2DH_target.pdbqt | data/4M/4MUE-2DH/4MUE-2DH_decoys.pdbqt | data/4M/4MUE-2DH/4MUE-2DH_decoy_scores.csv |
4MOK-12P | data/4M/4MOK-12P/4MOK-12P_ligand.pdbqt | data/4M/4MOK-12P/4MOK-12P_target.pdbqt | data/4M/4MOK-12P/4MOK-12P_decoys.pdbqt | data/4M/4MOK-12P/4MOK-12P_decoy_scores.csv |
4M3F-2D1 | data/4M/4M3F-2D1/4M3F-2D1_ligand.pdbqt | data/4M/4M3F-2D1/4M3F-2D1_target.pdbqt | data/4M/4M3F-2D1/4M3F-2D1_decoys.pdbqt | data/4M/4M3F-2D1/4M3F-2D1_decoy_scores.csv |
4M0C-FMN | data/4M/4M0C-FMN/4M0C-FMN_ligand.pdbqt | data/4M/4M0C-FMN/4M0C-FMN_target.pdbqt | data/4M/4M0C-FMN/4M0C-FMN_decoys.pdbqt | data/4M/4M0C-FMN/4M0C-FMN_decoy_scores.csv |
4MY8-IMP | data/4M/4MY8-IMP/4MY8-IMP_ligand.pdbqt | data/4M/4MY8-IMP/4MY8-IMP_target.pdbqt | data/4M/4MY8-IMP/4MY8-IMP_decoys.pdbqt | data/4M/4MY8-IMP/4MY8-IMP_decoy_scores.csv |
4M2F-GGB | data/4M/4M2F-GGB/4M2F-GGB_ligand.pdbqt | data/4M/4M2F-GGB/4M2F-GGB_target.pdbqt | data/4M/4M2F-GGB/4M2F-GGB_decoys.pdbqt | data/4M/4M2F-GGB/4M2F-GGB_decoy_scores.csv |
4MSN-2ZQ | data/4M/4MSN-2ZQ/4MSN-2ZQ_ligand.pdbqt | data/4M/4MSN-2ZQ/4MSN-2ZQ_target.pdbqt | data/4M/4MSN-2ZQ/4MSN-2ZQ_decoys.pdbqt | data/4M/4MSN-2ZQ/4MSN-2ZQ_decoy_scores.csv |
4MLR-LYS | data/4M/4MLR-LYS/4MLR-LYS_ligand.pdbqt | data/4M/4MLR-LYS/4MLR-LYS_target.pdbqt | data/4M/4MLR-LYS/4MLR-LYS_decoys.pdbqt | data/4M/4MLR-LYS/4MLR-LYS_decoy_scores.csv |
4MJF-CXS | data/4M/4MJF-CXS/4MJF-CXS_ligand.pdbqt | data/4M/4MJF-CXS/4MJF-CXS_target.pdbqt | data/4M/4MJF-CXS/4MJF-CXS_decoys.pdbqt | data/4M/4MJF-CXS/4MJF-CXS_decoy_scores.csv |
4MHS-26Q | data/4M/4MHS-26Q/4MHS-26Q_ligand.pdbqt | data/4M/4MHS-26Q/4MHS-26Q_target.pdbqt | data/4M/4MHS-26Q/4MHS-26Q_decoys.pdbqt | data/4M/4MHS-26Q/4MHS-26Q_decoy_scores.csv |
4MOS-2FG | data/4M/4MOS-2FG/4MOS-2FG_ligand.pdbqt | data/4M/4MOS-2FG/4MOS-2FG_target.pdbqt | data/4M/4MOS-2FG/4MOS-2FG_decoys.pdbqt | data/4M/4MOS-2FG/4MOS-2FG_decoy_scores.csv |
4MIY-NAD | data/4M/4MIY-NAD/4MIY-NAD_ligand.pdbqt | data/4M/4MIY-NAD/4MIY-NAD_target.pdbqt | data/4M/4MIY-NAD/4MIY-NAD_decoys.pdbqt | data/4M/4MIY-NAD/4MIY-NAD_decoy_scores.csv |
4MIN-NAD | data/4M/4MIN-NAD/4MIN-NAD_ligand.pdbqt | data/4M/4MIN-NAD/4MIN-NAD_target.pdbqt | data/4M/4MIN-NAD/4MIN-NAD_decoys.pdbqt | data/4M/4MIN-NAD/4MIN-NAD_decoy_scores.csv |
4MV4-ACP | data/4M/4MV4-ACP/4MV4-ACP_ligand.pdbqt | data/4M/4MV4-ACP/4MV4-ACP_target.pdbqt | data/4M/4MV4-ACP/4MV4-ACP_decoys.pdbqt | data/4M/4MV4-ACP/4MV4-ACP_decoy_scores.csv |
4MUY-2E5 | data/4M/4MUY-2E5/4MUY-2E5_ligand.pdbqt | data/4M/4MUY-2E5/4MUY-2E5_target.pdbqt | data/4M/4MUY-2E5/4MUY-2E5_decoys.pdbqt | data/4M/4MUY-2E5/4MUY-2E5_decoy_scores.csv |
4M6X-56D | data/4M/4M6X-56D/4M6X-56D_ligand.pdbqt | data/4M/4M6X-56D/4M6X-56D_target.pdbqt | data/4M/4M6X-56D/4M6X-56D_decoys.pdbqt | data/4M/4M6X-56D/4M6X-56D_decoy_scores.csv |
4MLQ-DPM | data/4M/4MLQ-DPM/4MLQ-DPM_ligand.pdbqt | data/4M/4MLQ-DPM/4MLQ-DPM_target.pdbqt | data/4M/4MLQ-DPM/4MLQ-DPM_decoys.pdbqt | data/4M/4MLQ-DPM/4MLQ-DPM_decoy_scores.csv |
4MMW-XYH | data/4M/4MMW-XYH/4MMW-XYH_ligand.pdbqt | data/4M/4MMW-XYH/4MMW-XYH_target.pdbqt | data/4M/4MMW-XYH/4MMW-XYH_decoys.pdbqt | data/4M/4MMW-XYH/4MMW-XYH_decoy_scores.csv |
4M84-21E | data/4M/4M84-21E/4M84-21E_ligand.pdbqt | data/4M/4M84-21E/4M84-21E_target.pdbqt | data/4M/4M84-21E/4M84-21E_decoys.pdbqt | data/4M/4M84-21E/4M84-21E_decoy_scores.csv |
4M71-HF2 | data/4M/4M71-HF2/4M71-HF2_ligand.pdbqt | data/4M/4M71-HF2/4M71-HF2_target.pdbqt | data/4M/4M71-HF2/4M71-HF2_decoys.pdbqt | data/4M/4M71-HF2/4M71-HF2_decoy_scores.csv |
4M21-GDP | data/4M/4M21-GDP/4M21-GDP_ligand.pdbqt | data/4M/4M21-GDP/4M21-GDP_target.pdbqt | data/4M/4M21-GDP/4M21-GDP_decoys.pdbqt | data/4M/4M21-GDP/4M21-GDP_decoy_scores.csv |
4M5G-APC | data/4M/4M5G-APC/4M5G-APC_ligand.pdbqt | data/4M/4M5G-APC/4M5G-APC_target.pdbqt | data/4M/4M5G-APC/4M5G-APC_decoys.pdbqt | data/4M/4M5G-APC/4M5G-APC_decoy_scores.csv |
4MLL-1S6 | data/4M/4MLL-1S6/4MLL-1S6_ligand.pdbqt | data/4M/4MLL-1S6/4MLL-1S6_target.pdbqt | data/4M/4MLL-1S6/4MLL-1S6_decoys.pdbqt | data/4M/4MLL-1S6/4MLL-1S6_decoy_scores.csv |
4MOO-GAF | data/4M/4MOO-GAF/4MOO-GAF_ligand.pdbqt | data/4M/4MOO-GAF/4MOO-GAF_target.pdbqt | data/4M/4MOO-GAF/4MOO-GAF_decoys.pdbqt | data/4M/4MOO-GAF/4MOO-GAF_decoy_scores.csv |
4MIU-THP | data/4M/4MIU-THP/4MIU-THP_ligand.pdbqt | data/4M/4MIU-THP/4MIU-THP_target.pdbqt | data/4M/4MIU-THP/4MIU-THP_decoys.pdbqt | data/4M/4MIU-THP/4MIU-THP_decoy_scores.csv |
4MN3-P33 | data/4M/4MN3-P33/4MN3-P33_ligand.pdbqt | data/4M/4MN3-P33/4MN3-P33_target.pdbqt | data/4M/4MN3-P33/4MN3-P33_decoys.pdbqt | data/4M/4MN3-P33/4MN3-P33_decoy_scores.csv |
4M1Y-GDP | data/4M/4M1Y-GDP/4M1Y-GDP_ligand.pdbqt | data/4M/4M1Y-GDP/4M1Y-GDP_target.pdbqt | data/4M/4M1Y-GDP/4M1Y-GDP_decoys.pdbqt | data/4M/4M1Y-GDP/4M1Y-GDP_decoy_scores.csv |
4MY8-Q21 | data/4M/4MY8-Q21/4MY8-Q21_ligand.pdbqt | data/4M/4MY8-Q21/4MY8-Q21_target.pdbqt | data/4M/4MY8-Q21/4MY8-Q21_decoys.pdbqt | data/4M/4MY8-Q21/4MY8-Q21_decoy_scores.csv |
4MUG-2DK | data/4M/4MUG-2DK/4MUG-2DK_ligand.pdbqt | data/4M/4MUG-2DK/4MUG-2DK_target.pdbqt | data/4M/4MUG-2DK/4MUG-2DK_decoys.pdbqt | data/4M/4MUG-2DK/4MUG-2DK_decoy_scores.csv |
4MQ0-MMA | data/4M/4MQ0-MMA/4MQ0-MMA_ligand.pdbqt | data/4M/4MQ0-MMA/4MQ0-MMA_target.pdbqt | data/4M/4MQ0-MMA/4MQ0-MMA_decoys.pdbqt | data/4M/4MQ0-MMA/4MQ0-MMA_decoy_scores.csv |
4M5N-YH7 | data/4M/4M5N-YH7/4M5N-YH7_ligand.pdbqt | data/4M/4M5N-YH7/4M5N-YH7_target.pdbqt | data/4M/4M5N-YH7/4M5N-YH7_decoys.pdbqt | data/4M/4M5N-YH7/4M5N-YH7_decoy_scores.csv |
4MPO-AMP | data/4M/4MPO-AMP/4MPO-AMP_ligand.pdbqt | data/4M/4MPO-AMP/4MPO-AMP_target.pdbqt | data/4M/4MPO-AMP/4MPO-AMP_decoys.pdbqt | data/4M/4MPO-AMP/4MPO-AMP_decoy_scores.csv |
4M27-ARG | data/4M/4M27-ARG/4M27-ARG_ligand.pdbqt | data/4M/4M27-ARG/4M27-ARG_target.pdbqt | data/4M/4M27-ARG/4M27-ARG_decoys.pdbqt | data/4M/4M27-ARG/4M27-ARG_decoy_scores.csv |
4MA4-F6P | data/4M/4MA4-F6P/4MA4-F6P_ligand.pdbqt | data/4M/4MA4-F6P/4MA4-F6P_target.pdbqt | data/4M/4MA4-F6P/4MA4-F6P_decoys.pdbqt | data/4M/4MA4-F6P/4MA4-F6P_decoy_scores.csv |
4MIG-G3F | data/4M/4MIG-G3F/4MIG-G3F_ligand.pdbqt | data/4M/4MIG-G3F/4MIG-G3F_target.pdbqt | data/4M/4MIG-G3F/4MIG-G3F_decoys.pdbqt | data/4M/4MIG-G3F/4MIG-G3F_decoy_scores.csv |
4M7F-BM3 | data/4M/4M7F-BM3/4M7F-BM3_ligand.pdbqt | data/4M/4M7F-BM3/4M7F-BM3_target.pdbqt | data/4M/4M7F-BM3/4M7F-BM3_decoys.pdbqt | data/4M/4M7F-BM3/4M7F-BM3_decoy_scores.csv |
4M74-M74 | data/4M/4M74-M74/4M74-M74_ligand.pdbqt | data/4M/4M74-M74/4M74-M74_target.pdbqt | data/4M/4M74-M74/4M74-M74_decoys.pdbqt | data/4M/4M74-M74/4M74-M74_decoy_scores.csv |
4M82-NGB | data/4M/4M82-NGB/4M82-NGB_ligand.pdbqt | data/4M/4M82-NGB/4M82-NGB_target.pdbqt | data/4M/4M82-NGB/4M82-NGB_decoys.pdbqt | data/4M/4M82-NGB/4M82-NGB_decoy_scores.csv |
4M22-22C | data/4M/4M22-22C/4M22-22C_ligand.pdbqt | data/4M/4M22-22C/4M22-22C_target.pdbqt | data/4M/4M22-22C/4M22-22C_decoys.pdbqt | data/4M/4M22-22C/4M22-22C_decoy_scores.csv |
4M5G-YH1 | data/4M/4M5G-YH1/4M5G-YH1_ligand.pdbqt | data/4M/4M5G-YH1/4M5G-YH1_target.pdbqt | data/4M/4M5G-YH1/4M5G-YH1_decoys.pdbqt | data/4M/4M5G-YH1/4M5G-YH1_decoy_scores.csv |
4MU7-2DY | data/4M/4MU7-2DY/4MU7-2DY_ligand.pdbqt | data/4M/4MU7-2DY/4MU7-2DY_target.pdbqt | data/4M/4MU7-2DY/4MU7-2DY_decoys.pdbqt | data/4M/4MU7-2DY/4MU7-2DY_decoy_scores.csv |
4MDS-23H | data/4M/4MDS-23H/4MDS-23H_ligand.pdbqt | data/4M/4MDS-23H/4MDS-23H_target.pdbqt | data/4M/4MDS-23H/4MDS-23H_decoys.pdbqt | data/4M/4MDS-23H/4MDS-23H_decoy_scores.csv |
4MRN-LDA | data/4M/4MRN-LDA/4MRN-LDA_ligand.pdbqt | data/4M/4MRN-LDA/4MRN-LDA_target.pdbqt | data/4M/4MRN-LDA/4MRN-LDA_decoys.pdbqt | data/4M/4MRN-LDA/4MRN-LDA_decoy_scores.csv |
4MOL-12P | data/4M/4MOL-12P/4MOL-12P_ligand.pdbqt | data/4M/4MOL-12P/4MOL-12P_target.pdbqt | data/4M/4MOL-12P/4MOL-12P_decoys.pdbqt | data/4M/4MOL-12P/4MOL-12P_decoy_scores.csv |
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