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 ⌀ |
|---|---|---|---|---|
4MVN-I1S | data/4M/4MVN-I1S/4MVN-I1S_ligand.pdbqt | data/4M/4MVN-I1S/4MVN-I1S_target.pdbqt | data/4M/4MVN-I1S/4MVN-I1S_decoys.pdbqt | data/4M/4MVN-I1S/4MVN-I1S_decoy_scores.csv |
4MD1-RET | data/4M/4MD1-RET/4MD1-RET_ligand.pdbqt | data/4M/4MD1-RET/4MD1-RET_target.pdbqt | data/4M/4MD1-RET/4MD1-RET_decoys.pdbqt | data/4M/4MD1-RET/4MD1-RET_decoy_scores.csv |
4MJQ-27R | data/4M/4MJQ-27R/4MJQ-27R_ligand.pdbqt | data/4M/4MJQ-27R/4MJQ-27R_target.pdbqt | data/4M/4MJQ-27R/4MJQ-27R_decoys.pdbqt | data/4M/4MJQ-27R/4MJQ-27R_decoy_scores.csv |
4MBK-MA4 | data/4M/4MBK-MA4/4MBK-MA4_ligand.pdbqt | data/4M/4MBK-MA4/4MBK-MA4_target.pdbqt | data/4M/4MBK-MA4/4MBK-MA4_decoys.pdbqt | data/4M/4MBK-MA4/4MBK-MA4_decoy_scores.csv |
4MNP-SLB | data/4M/4MNP-SLB/4MNP-SLB_ligand.pdbqt | data/4M/4MNP-SLB/4MNP-SLB_target.pdbqt | data/4M/4MNP-SLB/4MNP-SLB_decoys.pdbqt | data/4M/4MNP-SLB/4MNP-SLB_decoy_scores.csv |
4MPC-PV2 | data/4M/4MPC-PV2/4MPC-PV2_ligand.pdbqt | data/4M/4MPC-PV2/4MPC-PV2_target.pdbqt | data/4M/4MPC-PV2/4MPC-PV2_decoys.pdbqt | data/4M/4MPC-PV2/4MPC-PV2_decoy_scores.csv |
4MXP-DB4 | data/4M/4MXP-DB4/4MXP-DB4_ligand.pdbqt | data/4M/4MXP-DB4/4MXP-DB4_target.pdbqt | data/4M/4MXP-DB4/4MXP-DB4_decoys.pdbqt | data/4M/4MXP-DB4/4MXP-DB4_decoy_scores.csv |
4MDB-RLT | data/4M/4MDB-RLT/4MDB-RLT_ligand.pdbqt | data/4M/4MDB-RLT/4MDB-RLT_target.pdbqt | data/4M/4MDB-RLT/4MDB-RLT_decoys.pdbqt | data/4M/4MDB-RLT/4MDB-RLT_decoy_scores.csv |
4MRS-LDA | data/4M/4MRS-LDA/4MRS-LDA_ligand.pdbqt | data/4M/4MRS-LDA/4MRS-LDA_target.pdbqt | data/4M/4MRS-LDA/4MRS-LDA_decoys.pdbqt | data/4M/4MRS-LDA/4MRS-LDA_decoy_scores.csv |
4M4V-DAN | data/4M/4M4V-DAN/4M4V-DAN_ligand.pdbqt | data/4M/4M4V-DAN/4M4V-DAN_target.pdbqt | data/4M/4M4V-DAN/4M4V-DAN_decoys.pdbqt | data/4M/4M4V-DAN/4M4V-DAN_decoy_scores.csv |
4MJO-2C1 | data/4M/4MJO-2C1/4MJO-2C1_ligand.pdbqt | data/4M/4MJO-2C1/4MJO-2C1_target.pdbqt | data/4M/4MJO-2C1/4MJO-2C1_decoys.pdbqt | data/4M/4MJO-2C1/4MJO-2C1_decoy_scores.csv |
4M7T-SAM | data/4M/4M7T-SAM/4M7T-SAM_ligand.pdbqt | data/4M/4M7T-SAM/4M7T-SAM_target.pdbqt | data/4M/4M7T-SAM/4M7T-SAM_decoys.pdbqt | data/4M/4M7T-SAM/4M7T-SAM_decoy_scores.csv |
4M7T-25W | data/4M/4M7T-25W/4M7T-25W_ligand.pdbqt | data/4M/4M7T-25W/4M7T-25W_target.pdbqt | data/4M/4M7T-25W/4M7T-25W_decoys.pdbqt | data/4M/4M7T-25W/4M7T-25W_decoy_scores.csv |
4MOT-2B7 | data/4M/4MOT-2B7/4MOT-2B7_ligand.pdbqt | data/4M/4MOT-2B7/4MOT-2B7_target.pdbqt | data/4M/4MOT-2B7/4MOT-2B7_decoys.pdbqt | data/4M/4MOT-2B7/4MOT-2B7_decoy_scores.csv |
4MES-26G | data/4M/4MES-26G/4MES-26G_ligand.pdbqt | data/4M/4MES-26G/4MES-26G_target.pdbqt | data/4M/4MES-26G/4MES-26G_decoys.pdbqt | data/4M/4MES-26G/4MES-26G_decoy_scores.csv |
4MIO-INS | data/4M/4MIO-INS/4MIO-INS_ligand.pdbqt | data/4M/4MIO-INS/4MIO-INS_target.pdbqt | data/4M/4MIO-INS/4MIO-INS_decoys.pdbqt | data/4M/4MIO-INS/4MIO-INS_decoy_scores.csv |
4MLP-2CX | data/4M/4MLP-2CX/4MLP-2CX_ligand.pdbqt | data/4M/4MLP-2CX/4MLP-2CX_target.pdbqt | data/4M/4MLP-2CX/4MLP-2CX_decoys.pdbqt | data/4M/4MLP-2CX/4MLP-2CX_decoy_scores.csv |
4MUK-2DV | data/4M/4MUK-2DV/4MUK-2DV_ligand.pdbqt | data/4M/4MUK-2DV/4MUK-2DV_target.pdbqt | data/4M/4MUK-2DV/4MUK-2DV_decoys.pdbqt | data/4M/4MUK-2DV/4MUK-2DV_decoy_scores.csv |
4MHW-PE4 | data/4M/4MHW-PE4/4MHW-PE4_ligand.pdbqt | data/4M/4MHW-PE4/4MHW-PE4_target.pdbqt | data/4M/4MHW-PE4/4MHW-PE4_decoys.pdbqt | data/4M/4MHW-PE4/4MHW-PE4_decoy_scores.csv |
4MYQ-19T | data/4M/4MYQ-19T/4MYQ-19T_ligand.pdbqt | data/4M/4MYQ-19T/4MYQ-19T_target.pdbqt | data/4M/4MYQ-19T/4MYQ-19T_decoys.pdbqt | data/4M/4MYQ-19T/4MYQ-19T_decoy_scores.csv |
4MGJ-CPZ | data/4M/4MGJ-CPZ/4MGJ-CPZ_ligand.pdbqt | data/4M/4MGJ-CPZ/4MGJ-CPZ_target.pdbqt | data/4M/4MGJ-CPZ/4MGJ-CPZ_decoys.pdbqt | data/4M/4MGJ-CPZ/4MGJ-CPZ_decoy_scores.csv |
4MYS-164 | data/4M/4MYS-164/4MYS-164_ligand.pdbqt | data/4M/4MYS-164/4MYS-164_target.pdbqt | data/4M/4MYS-164/4MYS-164_decoys.pdbqt | data/4M/4MYS-164/4MYS-164_decoy_scores.csv |
4M2W-ETS | data/4M/4M2W-ETS/4M2W-ETS_ligand.pdbqt | data/4M/4M2W-ETS/4M2W-ETS_target.pdbqt | data/4M/4M2W-ETS/4M2W-ETS_decoys.pdbqt | data/4M/4M2W-ETS/4M2W-ETS_decoy_scores.csv |
4MR5-1K0 | data/4M/4MR5-1K0/4MR5-1K0_ligand.pdbqt | data/4M/4MR5-1K0/4MR5-1K0_target.pdbqt | data/4M/4MR5-1K0/4MR5-1K0_decoys.pdbqt | data/4M/4MR5-1K0/4MR5-1K0_decoy_scores.csv |
4MFP-GCS | data/4M/4MFP-GCS/4MFP-GCS_ligand.pdbqt | data/4M/4MFP-GCS/4MFP-GCS_target.pdbqt | data/4M/4MFP-GCS/4MFP-GCS_decoys.pdbqt | data/4M/4MFP-GCS/4MFP-GCS_decoy_scores.csv |
4MHF-BDP | data/4M/4MHF-BDP/4MHF-BDP_ligand.pdbqt | data/4M/4MHF-BDP/4MHF-BDP_target.pdbqt | data/4M/4MHF-BDP/4MHF-BDP_decoys.pdbqt | data/4M/4MHF-BDP/4MHF-BDP_decoy_scores.csv |
4MBI-26K | data/4M/4MBI-26K/4MBI-26K_ligand.pdbqt | data/4M/4MBI-26K/4MBI-26K_target.pdbqt | data/4M/4MBI-26K/4MBI-26K_decoys.pdbqt | data/4M/4MBI-26K/4MBI-26K_decoy_scores.csv |
4MNW-ZBR | data/4M/4MNW-ZBR/4MNW-ZBR_ligand.pdbqt | data/4M/4MNW-ZBR/4MNW-ZBR_target.pdbqt | data/4M/4MNW-ZBR/4MNW-ZBR_decoys.pdbqt | data/4M/4MNW-ZBR/4MNW-ZBR_decoy_scores.csv |
4MVH-2F5 | data/4M/4MVH-2F5/4MVH-2F5_ligand.pdbqt | data/4M/4MVH-2F5/4MVH-2F5_target.pdbqt | data/4M/4MVH-2F5/4MVH-2F5_decoys.pdbqt | data/4M/4MVH-2F5/4MVH-2F5_decoy_scores.csv |
4MMM-BP7 | data/4M/4MMM-BP7/4MMM-BP7_ligand.pdbqt | data/4M/4MMM-BP7/4MMM-BP7_target.pdbqt | data/4M/4MMM-BP7/4MMM-BP7_decoys.pdbqt | data/4M/4MMM-BP7/4MMM-BP7_decoy_scores.csv |
4MX1-1MX | data/4M/4MX1-1MX/4MX1-1MX_ligand.pdbqt | data/4M/4MX1-1MX/4MX1-1MX_target.pdbqt | data/4M/4MX1-1MX/4MX1-1MX_decoys.pdbqt | data/4M/4MX1-1MX/4MX1-1MX_decoy_scores.csv |
4M1E-ADE | data/4M/4M1E-ADE/4M1E-ADE_ligand.pdbqt | data/4M/4M1E-ADE/4M1E-ADE_target.pdbqt | data/4M/4M1E-ADE/4M1E-ADE_decoys.pdbqt | data/4M/4M1E-ADE/4M1E-ADE_decoy_scores.csv |
4M6X-HF2 | data/4M/4M6X-HF2/4M6X-HF2_ligand.pdbqt | data/4M/4M6X-HF2/4M6X-HF2_target.pdbqt | data/4M/4M6X-HF2/4M6X-HF2_decoys.pdbqt | data/4M/4M6X-HF2/4M6X-HF2_decoy_scores.csv |
4M6P-20R | data/4M/4M6P-20R/4M6P-20R_ligand.pdbqt | data/4M/4M6P-20R/4M6P-20R_target.pdbqt | data/4M/4M6P-20R/4M6P-20R_decoys.pdbqt | data/4M/4M6P-20R/4M6P-20R_decoy_scores.csv |
4MQU-S6P | data/4M/4MQU-S6P/4MQU-S6P_ligand.pdbqt | data/4M/4MQU-S6P/4MQU-S6P_target.pdbqt | data/4M/4MQU-S6P/4MQU-S6P_decoys.pdbqt | data/4M/4MQU-S6P/4MQU-S6P_decoy_scores.csv |
4M2R-BZ1 | data/4M/4M2R-BZ1/4M2R-BZ1_ligand.pdbqt | data/4M/4M2R-BZ1/4M2R-BZ1_target.pdbqt | data/4M/4M2R-BZ1/4M2R-BZ1_decoys.pdbqt | data/4M/4M2R-BZ1/4M2R-BZ1_decoy_scores.csv |
4MSU-S6P | data/4M/4MSU-S6P/4MSU-S6P_ligand.pdbqt | data/4M/4MSU-S6P/4MSU-S6P_target.pdbqt | data/4M/4MSU-S6P/4MSU-S6P_decoys.pdbqt | data/4M/4MSU-S6P/4MSU-S6P_decoy_scores.csv |
4MSC-2ZT | data/4M/4MSC-2ZT/4MSC-2ZT_ligand.pdbqt | data/4M/4MSC-2ZT/4MSC-2ZT_target.pdbqt | data/4M/4MSC-2ZT/4MSC-2ZT_decoys.pdbqt | data/4M/4MSC-2ZT/4MSC-2ZT_decoy_scores.csv |
4MFL-GCS | data/4M/4MFL-GCS/4MFL-GCS_ligand.pdbqt | data/4M/4MFL-GCS/4MFL-GCS_target.pdbqt | data/4M/4MFL-GCS/4MFL-GCS_decoys.pdbqt | data/4M/4MFL-GCS/4MFL-GCS_decoy_scores.csv |
4MSG-2C6 | data/4M/4MSG-2C6/4MSG-2C6_ligand.pdbqt | data/4M/4MSG-2C6/4MSG-2C6_target.pdbqt | data/4M/4MSG-2C6/4MSG-2C6_decoys.pdbqt | data/4M/4MSG-2C6/4MSG-2C6_decoy_scores.csv |
4M6K-FOL | data/4M/4M6K-FOL/4M6K-FOL_ligand.pdbqt | data/4M/4M6K-FOL/4M6K-FOL_target.pdbqt | data/4M/4M6K-FOL/4M6K-FOL_decoys.pdbqt | data/4M/4M6K-FOL/4M6K-FOL_decoy_scores.csv |
4MR6-1K0 | data/4M/4MR6-1K0/4MR6-1K0_ligand.pdbqt | data/4M/4MR6-1K0/4MR6-1K0_target.pdbqt | data/4M/4MR6-1K0/4MR6-1K0_decoys.pdbqt | data/4M/4MR6-1K0/4MR6-1K0_decoy_scores.csv |
4MUA-A3P | data/4M/4MUA-A3P/4MUA-A3P_ligand.pdbqt | data/4M/4MUA-A3P/4MUA-A3P_target.pdbqt | data/4M/4MUA-A3P/4MUA-A3P_decoys.pdbqt | data/4M/4MUA-A3P/4MUA-A3P_decoy_scores.csv |
4MQY-2CW | data/4M/4MQY-2CW/4MQY-2CW_ligand.pdbqt | data/4M/4MQY-2CW/4MQY-2CW_target.pdbqt | data/4M/4MQY-2CW/4MQY-2CW_decoys.pdbqt | data/4M/4MQY-2CW/4MQY-2CW_decoy_scores.csv |
4MZ1-2F1 | data/4M/4MZ1-2F1/4MZ1-2F1_ligand.pdbqt | data/4M/4MZ1-2F1/4MZ1-2F1_target.pdbqt | data/4M/4MZ1-2F1/4MZ1-2F1_decoys.pdbqt | data/4M/4MZ1-2F1/4MZ1-2F1_decoy_scores.csv |
4MCC-21X | data/4M/4MCC-21X/4MCC-21X_ligand.pdbqt | data/4M/4MCC-21X/4MCC-21X_target.pdbqt | data/4M/4MCC-21X/4MCC-21X_decoys.pdbqt | data/4M/4MCC-21X/4MCC-21X_decoy_scores.csv |
4MEQ-25O | data/4M/4MEQ-25O/4MEQ-25O_ligand.pdbqt | data/4M/4MEQ-25O/4MEQ-25O_target.pdbqt | data/4M/4MEQ-25O/4MEQ-25O_decoys.pdbqt | data/4M/4MEQ-25O/4MEQ-25O_decoy_scores.csv |
4MA6-28E | data/4M/4MA6-28E/4MA6-28E_ligand.pdbqt | data/4M/4MA6-28E/4MA6-28E_target.pdbqt | data/4M/4MA6-28E/4MA6-28E_decoys.pdbqt | data/4M/4MA6-28E/4MA6-28E_decoy_scores.csv |
4MW0-392 | data/4M/4MW0-392/4MW0-392_ligand.pdbqt | data/4M/4MW0-392/4MW0-392_target.pdbqt | null | null |
4M15-ADP | data/4M/4M15-ADP/4M15-ADP_ligand.pdbqt | data/4M/4M15-ADP/4M15-ADP_target.pdbqt | data/4M/4M15-ADP/4M15-ADP_decoys.pdbqt | data/4M/4M15-ADP/4M15-ADP_decoy_scores.csv |
4M14-QWS | data/4M/4M14-QWS/4M14-QWS_ligand.pdbqt | data/4M/4M14-QWS/4M14-QWS_target.pdbqt | data/4M/4M14-QWS/4M14-QWS_decoys.pdbqt | data/4M/4M14-QWS/4M14-QWS_decoy_scores.csv |
4MGD-27N | data/4M/4MGD-27N/4MGD-27N_ligand.pdbqt | data/4M/4MGD-27N/4MGD-27N_target.pdbqt | data/4M/4MGD-27N/4MGD-27N_decoys.pdbqt | data/4M/4MGD-27N/4MGD-27N_decoy_scores.csv |
4MYM-BTB | data/4M/4MYM-BTB/4MYM-BTB_ligand.pdbqt | data/4M/4MYM-BTB/4MYM-BTB_target.pdbqt | data/4M/4MYM-BTB/4MYM-BTB_decoys.pdbqt | data/4M/4MYM-BTB/4MYM-BTB_decoy_scores.csv |
4MOM-2H5 | data/4M/4MOM-2H5/4MOM-2H5_ligand.pdbqt | data/4M/4MOM-2H5/4MOM-2H5_target.pdbqt | data/4M/4MOM-2H5/4MOM-2H5_decoys.pdbqt | data/4M/4MOM-2H5/4MOM-2H5_decoy_scores.csv |
4MZO-2EW | data/4M/4MZO-2EW/4MZO-2EW_ligand.pdbqt | data/4M/4MZO-2EW/4MZO-2EW_target.pdbqt | data/4M/4MZO-2EW/4MZO-2EW_decoys.pdbqt | data/4M/4MZO-2EW/4MZO-2EW_decoy_scores.csv |
4MOR-2H5 | data/4M/4MOR-2H5/4MOR-2H5_ligand.pdbqt | data/4M/4MOR-2H5/4MOR-2H5_target.pdbqt | data/4M/4MOR-2H5/4MOR-2H5_decoys.pdbqt | data/4M/4MOR-2H5/4MOR-2H5_decoy_scores.csv |
4M5P-FMN | data/4M/4M5P-FMN/4M5P-FMN_ligand.pdbqt | data/4M/4M5P-FMN/4M5P-FMN_target.pdbqt | data/4M/4M5P-FMN/4M5P-FMN_decoys.pdbqt | data/4M/4M5P-FMN/4M5P-FMN_decoy_scores.csv |
4MBG-FPP | data/4M/4MBG-FPP/4MBG-FPP_ligand.pdbqt | data/4M/4MBG-FPP/4MBG-FPP_target.pdbqt | data/4M/4MBG-FPP/4MBG-FPP_decoys.pdbqt | data/4M/4MBG-FPP/4MBG-FPP_decoy_scores.csv |
4M5J-APC | data/4M/4M5J-APC/4M5J-APC_ligand.pdbqt | data/4M/4M5J-APC/4M5J-APC_target.pdbqt | data/4M/4M5J-APC/4M5J-APC_decoys.pdbqt | data/4M/4M5J-APC/4M5J-APC_decoy_scores.csv |
4MY6-3VH | data/4M/4MY6-3VH/4MY6-3VH_ligand.pdbqt | data/4M/4MY6-3VH/4MY6-3VH_target.pdbqt | data/4M/4MY6-3VH/4MY6-3VH_decoys.pdbqt | data/4M/4MY6-3VH/4MY6-3VH_decoy_scores.csv |
4MTY-SBW | data/4M/4MTY-SBW/4MTY-SBW_ligand.pdbqt | data/4M/4MTY-SBW/4MTY-SBW_target.pdbqt | data/4M/4MTY-SBW/4MTY-SBW_decoys.pdbqt | data/4M/4MTY-SBW/4MTY-SBW_decoy_scores.csv |
4MKB-28V | data/4M/4MKB-28V/4MKB-28V_ligand.pdbqt | data/4M/4MKB-28V/4MKB-28V_target.pdbqt | data/4M/4MKB-28V/4MKB-28V_decoys.pdbqt | data/4M/4MKB-28V/4MKB-28V_decoy_scores.csv |
4MD2-L2P | data/4M/4MD2-L2P/4MD2-L2P_ligand.pdbqt | data/4M/4MD2-L2P/4MD2-L2P_target.pdbqt | data/4M/4MD2-L2P/4MD2-L2P_decoys.pdbqt | data/4M/4MD2-L2P/4MD2-L2P_decoy_scores.csv |
4MG9-27K | data/4M/4MG9-27K/4MG9-27K_ligand.pdbqt | data/4M/4MG9-27K/4MG9-27K_target.pdbqt | data/4M/4MG9-27K/4MG9-27K_decoys.pdbqt | data/4M/4MG9-27K/4MG9-27K_decoy_scores.csv |
4MWZ-SAM | data/4M/4MWZ-SAM/4MWZ-SAM_ligand.pdbqt | data/4M/4MWZ-SAM/4MWZ-SAM_target.pdbqt | data/4M/4MWZ-SAM/4MWZ-SAM_decoys.pdbqt | data/4M/4MWZ-SAM/4MWZ-SAM_decoy_scores.csv |
4MP6-NAD | data/4M/4MP6-NAD/4MP6-NAD_ligand.pdbqt | data/4M/4MP6-NAD/4MP6-NAD_target.pdbqt | data/4M/4MP6-NAD/4MP6-NAD_decoys.pdbqt | data/4M/4MP6-NAD/4MP6-NAD_decoy_scores.csv |
4MOB-ADP | data/4M/4MOB-ADP/4MOB-ADP_ligand.pdbqt | data/4M/4MOB-ADP/4MOB-ADP_target.pdbqt | data/4M/4MOB-ADP/4MOB-ADP_decoys.pdbqt | data/4M/4MOB-ADP/4MOB-ADP_decoy_scores.csv |
4MBC-28G | data/4M/4MBC-28G/4MBC-28G_ligand.pdbqt | data/4M/4MBC-28G/4MBC-28G_target.pdbqt | data/4M/4MBC-28G/4MBC-28G_decoys.pdbqt | data/4M/4MBC-28G/4MBC-28G_decoy_scores.csv |
4MT4-C8E | data/4M/4MT4-C8E/4MT4-C8E_ligand.pdbqt | data/4M/4MT4-C8E/4MT4-C8E_target.pdbqt | data/4M/4MT4-C8E/4MT4-C8E_decoys.pdbqt | data/4M/4MT4-C8E/4MT4-C8E_decoy_scores.csv |
4M9D-AMP | data/4M/4M9D-AMP/4M9D-AMP_ligand.pdbqt | data/4M/4M9D-AMP/4M9D-AMP_target.pdbqt | data/4M/4M9D-AMP/4M9D-AMP_decoys.pdbqt | data/4M/4M9D-AMP/4M9D-AMP_decoy_scores.csv |
4MEP-24Y | data/4M/4MEP-24Y/4MEP-24Y_ligand.pdbqt | data/4M/4MEP-24Y/4MEP-24Y_target.pdbqt | data/4M/4MEP-24Y/4MEP-24Y_decoys.pdbqt | data/4M/4MEP-24Y/4MEP-24Y_decoy_scores.csv |
4MR4-1K0 | data/4M/4MR4-1K0/4MR4-1K0_ligand.pdbqt | data/4M/4MR4-1K0/4MR4-1K0_target.pdbqt | data/4M/4MR4-1K0/4MR4-1K0_decoys.pdbqt | data/4M/4MR4-1K0/4MR4-1K0_decoy_scores.csv |
4MYA-2EY | data/4M/4MYA-2EY/4MYA-2EY_ligand.pdbqt | data/4M/4MYA-2EY/4MYA-2EY_target.pdbqt | data/4M/4MYA-2EY/4MYA-2EY_decoys.pdbqt | data/4M/4MYA-2EY/4MYA-2EY_decoy_scores.csv |
4M6T-SAM | data/4M/4M6T-SAM/4M6T-SAM_ligand.pdbqt | data/4M/4M6T-SAM/4M6T-SAM_target.pdbqt | data/4M/4M6T-SAM/4M6T-SAM_decoys.pdbqt | data/4M/4M6T-SAM/4M6T-SAM_decoy_scores.csv |
4MQU-MG9 | data/4M/4MQU-MG9/4MQU-MG9_ligand.pdbqt | data/4M/4MQU-MG9/4MQU-MG9_target.pdbqt | data/4M/4MQU-MG9/4MQU-MG9_decoys.pdbqt | data/4M/4MQU-MG9/4MQU-MG9_decoy_scores.csv |
4M1Y-21S | data/4M/4M1Y-21S/4M1Y-21S_ligand.pdbqt | data/4M/4M1Y-21S/4M1Y-21S_target.pdbqt | data/4M/4M1Y-21S/4M1Y-21S_decoys.pdbqt | data/4M/4M1Y-21S/4M1Y-21S_decoy_scores.csv |
4MH5-GLU | data/4M/4MH5-GLU/4MH5-GLU_ligand.pdbqt | data/4M/4MH5-GLU/4MH5-GLU_target.pdbqt | data/4M/4MH5-GLU/4MH5-GLU_decoys.pdbqt | data/4M/4MH5-GLU/4MH5-GLU_decoy_scores.csv |
4MUQ-LY0 | data/4M/4MUQ-LY0/4MUQ-LY0_ligand.pdbqt | data/4M/4MUQ-LY0/4MUQ-LY0_target.pdbqt | data/4M/4MUQ-LY0/4MUQ-LY0_decoys.pdbqt | data/4M/4MUQ-LY0/4MUQ-LY0_decoy_scores.csv |
4MNV-ZBR | data/4M/4MNV-ZBR/4MNV-ZBR_ligand.pdbqt | data/4M/4MNV-ZBR/4MNV-ZBR_target.pdbqt | data/4M/4MNV-ZBR/4MNV-ZBR_decoys.pdbqt | data/4M/4MNV-ZBR/4MNV-ZBR_decoy_scores.csv |
4MJL-NAD | data/4M/4MJL-NAD/4MJL-NAD_ligand.pdbqt | data/4M/4MJL-NAD/4MJL-NAD_target.pdbqt | data/4M/4MJL-NAD/4MJL-NAD_decoys.pdbqt | data/4M/4MJL-NAD/4MJL-NAD_decoy_scores.csv |
4MUQ-PE3 | data/4M/4MUQ-PE3/4MUQ-PE3_ligand.pdbqt | data/4M/4MUQ-PE3/4MUQ-PE3_target.pdbqt | data/4M/4MUQ-PE3/4MUQ-PE3_decoys.pdbqt | data/4M/4MUQ-PE3/4MUQ-PE3_decoy_scores.csv |
4MB2-ATP | data/4M/4MB2-ATP/4MB2-ATP_ligand.pdbqt | data/4M/4MB2-ATP/4MB2-ATP_target.pdbqt | data/4M/4MB2-ATP/4MB2-ATP_decoys.pdbqt | data/4M/4MB2-ATP/4MB2-ATP_decoy_scores.csv |
4MI3-26R | data/4M/4MI3-26R/4MI3-26R_ligand.pdbqt | data/4M/4MI3-26R/4MI3-26R_target.pdbqt | data/4M/4MI3-26R/4MI3-26R_decoys.pdbqt | data/4M/4MI3-26R/4MI3-26R_decoy_scores.csv |
4MQ6-29W | data/4M/4MQ6-29W/4MQ6-29W_ligand.pdbqt | data/4M/4MQ6-29W/4MQ6-29W_target.pdbqt | data/4M/4MQ6-29W/4MQ6-29W_decoys.pdbqt | data/4M/4MQ6-29W/4MQ6-29W_decoy_scores.csv |
4MX5-5MX | data/4M/4MX5-5MX/4MX5-5MX_ligand.pdbqt | data/4M/4MX5-5MX/4MX5-5MX_target.pdbqt | data/4M/4MX5-5MX/4MX5-5MX_decoys.pdbqt | data/4M/4MX5-5MX/4MX5-5MX_decoy_scores.csv |
4M6Y-SAH | data/4M/4M6Y-SAH/4M6Y-SAH_ligand.pdbqt | data/4M/4M6Y-SAH/4M6Y-SAH_target.pdbqt | data/4M/4M6Y-SAH/4M6Y-SAH_decoys.pdbqt | data/4M/4M6Y-SAH/4M6Y-SAH_decoy_scores.csv |
4M5N-APC | data/4M/4M5N-APC/4M5N-APC_ligand.pdbqt | data/4M/4M5N-APC/4M5N-APC_target.pdbqt | data/4M/4M5N-APC/4M5N-APC_decoys.pdbqt | data/4M/4M5N-APC/4M5N-APC_decoy_scores.csv |
4M13-1E0 | data/4M/4M13-1E0/4M13-1E0_ligand.pdbqt | data/4M/4M13-1E0/4M13-1E0_target.pdbqt | data/4M/4M13-1E0/4M13-1E0_decoys.pdbqt | data/4M/4M13-1E0/4M13-1E0_decoy_scores.csv |
4M54-AE5 | data/4M/4M54-AE5/4M54-AE5_ligand.pdbqt | data/4M/4M54-AE5/4M54-AE5_target.pdbqt | data/4M/4M54-AE5/4M54-AE5_decoys.pdbqt | data/4M/4M54-AE5/4M54-AE5_decoy_scores.csv |
4MOJ-G2F | data/4M/4MOJ-G2F/4MOJ-G2F_ligand.pdbqt | data/4M/4MOJ-G2F/4MOJ-G2F_target.pdbqt | data/4M/4MOJ-G2F/4MOJ-G2F_decoys.pdbqt | data/4M/4MOJ-G2F/4MOJ-G2F_decoy_scores.csv |
4M15-QWS | data/4M/4M15-QWS/4M15-QWS_ligand.pdbqt | data/4M/4M15-QWS/4M15-QWS_target.pdbqt | data/4M/4M15-QWS/4M15-QWS_decoys.pdbqt | data/4M/4M15-QWS/4M15-QWS_decoy_scores.csv |
4MRW-MRW | data/4M/4MRW-MRW/4MRW-MRW_ligand.pdbqt | data/4M/4MRW-MRW/4MRW-MRW_target.pdbqt | data/4M/4MRW-MRW/4MRW-MRW_decoys.pdbqt | data/4M/4MRW-MRW/4MRW-MRW_decoy_scores.csv |
4M2B-UPG | data/4M/4M2B-UPG/4M2B-UPG_ligand.pdbqt | data/4M/4M2B-UPG/4M2B-UPG_target.pdbqt | data/4M/4M2B-UPG/4M2B-UPG_decoys.pdbqt | data/4M/4M2B-UPG/4M2B-UPG_decoy_scores.csv |
4MEN-25K | data/4M/4MEN-25K/4MEN-25K_ligand.pdbqt | data/4M/4MEN-25K/4MEN-25K_target.pdbqt | data/4M/4MEN-25K/4MEN-25K_decoys.pdbqt | data/4M/4MEN-25K/4MEN-25K_decoy_scores.csv |
4MAF-ADX | data/4M/4MAF-ADX/4MAF-ADX_ligand.pdbqt | data/4M/4MAF-ADX/4MAF-ADX_target.pdbqt | data/4M/4MAF-ADX/4MAF-ADX_decoys.pdbqt | data/4M/4MAF-ADX/4MAF-ADX_decoy_scores.csv |
4M3B-2B2 | data/4M/4M3B-2B2/4M3B-2B2_ligand.pdbqt | data/4M/4M3B-2B2/4M3B-2B2_target.pdbqt | data/4M/4M3B-2B2/4M3B-2B2_decoys.pdbqt | data/4M/4M3B-2B2/4M3B-2B2_decoy_scores.csv |
4MXC-DWF | data/4M/4MXC-DWF/4MXC-DWF_ligand.pdbqt | data/4M/4MXC-DWF/4MXC-DWF_target.pdbqt | data/4M/4MXC-DWF/4MXC-DWF_decoys.pdbqt | data/4M/4MXC-DWF/4MXC-DWF_decoy_scores.csv |
4M4S-GDP | data/4M/4M4S-GDP/4M4S-GDP_ligand.pdbqt | data/4M/4M4S-GDP/4M4S-GDP_target.pdbqt | data/4M/4M4S-GDP/4M4S-GDP_decoys.pdbqt | data/4M/4M4S-GDP/4M4S-GDP_decoy_scores.csv |
4MOG-G3F | data/4M/4MOG-G3F/4MOG-G3F_ligand.pdbqt | data/4M/4MOG-G3F/4MOG-G3F_target.pdbqt | data/4M/4MOG-G3F/4MOG-G3F_decoys.pdbqt | data/4M/4MOG-G3F/4MOG-G3F_decoy_scores.csv |
4MUJ-2DU | data/4M/4MUJ-2DU/4MUJ-2DU_ligand.pdbqt | data/4M/4MUJ-2DU/4MUJ-2DU_target.pdbqt | data/4M/4MUJ-2DU/4MUJ-2DU_decoys.pdbqt | data/4M/4MUJ-2DU/4MUJ-2DU_decoy_scores.csv |
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