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 ⌀ |
|---|---|---|---|---|
8H8S-CHD | data/8H/8H8S-CHD/8H8S-CHD_ligand.pdbqt | data/8H/8H8S-CHD/8H8S-CHD_target.pdbqt | data/8H/8H8S-CHD/8H8S-CHD_decoys.pdbqt | data/8H/8H8S-CHD/8H8S-CHD_decoy_scores.csv |
8H5E-OLC | data/8H/8H5E-OLC/8H5E-OLC_ligand.pdbqt | data/8H/8H5E-OLC/8H5E-OLC_target.pdbqt | data/8H/8H5E-OLC/8H5E-OLC_decoys.pdbqt | data/8H/8H5E-OLC/8H5E-OLC_decoy_scores.csv |
8HDG-NUT | data/8H/8HDG-NUT/8HDG-NUT_ligand.pdbqt | data/8H/8HDG-NUT/8HDG-NUT_target.pdbqt | data/8H/8HDG-NUT/8HDG-NUT_decoys.pdbqt | data/8H/8HDG-NUT/8HDG-NUT_decoy_scores.csv |
8HMQ-FBP | data/8H/8HMQ-FBP/8HMQ-FBP_ligand.pdbqt | data/8H/8HMQ-FBP/8HMQ-FBP_target.pdbqt | data/8H/8HMQ-FBP/8HMQ-FBP_decoys.pdbqt | data/8H/8HMQ-FBP/8HMQ-FBP_decoy_scores.csv |
8H8S-LFA | data/8H/8H8S-LFA/8H8S-LFA_ligand.pdbqt | data/8H/8H8S-LFA/8H8S-LFA_target.pdbqt | data/8H/8H8S-LFA/8H8S-LFA_decoys.pdbqt | data/8H/8H8S-LFA/8H8S-LFA_decoy_scores.csv |
8H97-P6G | data/8H/8H97-P6G/8H97-P6G_ligand.pdbqt | data/8H/8H97-P6G/8H97-P6G_target.pdbqt | data/8H/8H97-P6G/8H97-P6G_decoys.pdbqt | data/8H/8H97-P6G/8H97-P6G_decoy_scores.csv |
8H6P-WZU | data/8H/8H6P-WZU/8H6P-WZU_ligand.pdbqt | data/8H/8H6P-WZU/8H6P-WZU_target.pdbqt | data/8H/8H6P-WZU/8H6P-WZU_decoys.pdbqt | data/8H/8H6P-WZU/8H6P-WZU_decoy_scores.csv |
8H8R-LFA | data/8H/8H8R-LFA/8H8R-LFA_ligand.pdbqt | data/8H/8H8R-LFA/8H8R-LFA_target.pdbqt | data/8H/8H8R-LFA/8H8R-LFA_decoys.pdbqt | data/8H/8H8R-LFA/8H8R-LFA_decoy_scores.csv |
8H39-2BA | data/8H/8H39-2BA/8H39-2BA_ligand.pdbqt | data/8H/8H39-2BA/8H39-2BA_target.pdbqt | data/8H/8H39-2BA/8H39-2BA_decoys.pdbqt | data/8H/8H39-2BA/8H39-2BA_decoy_scores.csv |
8H7H-QH9 | data/8H/8H7H-QH9/8H7H-QH9_ligand.pdbqt | data/8H/8H7H-QH9/8H7H-QH9_target.pdbqt | data/8H/8H7H-QH9/8H7H-QH9_decoys.pdbqt | data/8H/8H7H-QH9/8H7H-QH9_decoy_scores.csv |
8HMU-FBP | data/8H/8HMU-FBP/8HMU-FBP_ligand.pdbqt | data/8H/8HMU-FBP/8HMU-FBP_target.pdbqt | data/8H/8HMU-FBP/8HMU-FBP_decoys.pdbqt | data/8H/8HMU-FBP/8HMU-FBP_decoy_scores.csv |
8HDF-PLM | data/8H/8HDF-PLM/8HDF-PLM_ligand.pdbqt | data/8H/8HDF-PLM/8HDF-PLM_target.pdbqt | data/8H/8HDF-PLM/8HDF-PLM_decoys.pdbqt | data/8H/8HDF-PLM/8HDF-PLM_decoy_scores.csv |
8HFN-XGC | data/8H/8HFN-XGC/8HFN-XGC_ligand.pdbqt | data/8H/8HFN-XGC/8HFN-XGC_target.pdbqt | data/8H/8HFN-XGC/8HFN-XGC_decoys.pdbqt | data/8H/8HFN-XGC/8HFN-XGC_decoy_scores.csv |
8H98-X5V | data/8H/8H98-X5V/8H98-X5V_ligand.pdbqt | data/8H/8H98-X5V/8H98-X5V_target.pdbqt | data/8H/8H98-X5V/8H98-X5V_decoys.pdbqt | data/8H/8H98-X5V/8H98-X5V_decoy_scores.csv |
8HOW-9YI | data/8H/8HOW-9YI/8HOW-9YI_ligand.pdbqt | data/8H/8HOW-9YI/8HOW-9YI_target.pdbqt | data/8H/8HOW-9YI/8HOW-9YI_decoys.pdbqt | data/8H/8HOW-9YI/8HOW-9YI_decoy_scores.csv |
8H7B-QHR | data/8H/8H7B-QHR/8H7B-QHR_ligand.pdbqt | data/8H/8H7B-QHR/8H7B-QHR_target.pdbqt | data/8H/8H7B-QHR/8H7B-QHR_decoys.pdbqt | data/8H/8H7B-QHR/8H7B-QHR_decoy_scores.csv |
8H2J-4BW | data/8H/8H2J-4BW/8H2J-4BW_ligand.pdbqt | data/8H/8H2J-4BW/8H2J-4BW_target.pdbqt | data/8H/8H2J-4BW/8H2J-4BW_decoys.pdbqt | data/8H/8H2J-4BW/8H2J-4BW_decoy_scores.csv |
8H26-SAH | data/8H/8H26-SAH/8H26-SAH_ligand.pdbqt | data/8H/8H26-SAH/8H26-SAH_target.pdbqt | data/8H/8H26-SAH/8H26-SAH_decoys.pdbqt | data/8H/8H26-SAH/8H26-SAH_decoy_scores.csv |
8H9A-X5V | data/8H/8H9A-X5V/8H9A-X5V_ligand.pdbqt | data/8H/8H9A-X5V/8H9A-X5V_target.pdbqt | data/8H/8H9A-X5V/8H9A-X5V_decoys.pdbqt | data/8H/8H9A-X5V/8H9A-X5V_decoy_scores.csv |
8HDF-ANP | data/8H/8HDF-ANP/8HDF-ANP_ligand.pdbqt | data/8H/8HDF-ANP/8HDF-ANP_target.pdbqt | data/8H/8HDF-ANP/8HDF-ANP_decoys.pdbqt | data/8H/8HDF-ANP/8HDF-ANP_decoy_scores.csv |
8H9B-X5V | data/8H/8H9B-X5V/8H9B-X5V_ligand.pdbqt | data/8H/8H9B-X5V/8H9B-X5V_target.pdbqt | data/8H/8H9B-X5V/8H9B-X5V_decoys.pdbqt | data/8H/8H9B-X5V/8H9B-X5V_decoy_scores.csv |
8H9C-X5V | data/8H/8H9C-X5V/8H9C-X5V_ligand.pdbqt | data/8H/8H9C-X5V/8H9C-X5V_target.pdbqt | data/8H/8H9C-X5V/8H9C-X5V_decoys.pdbqt | data/8H/8H9C-X5V/8H9C-X5V_decoy_scores.csv |
8H27-SAM | data/8H/8H27-SAM/8H27-SAM_ligand.pdbqt | data/8H/8H27-SAM/8H27-SAM_target.pdbqt | data/8H/8H27-SAM/8H27-SAM_decoys.pdbqt | data/8H/8H27-SAM/8H27-SAM_decoy_scores.csv |
8HU6-AMP | data/8H/8HU6-AMP/8HU6-AMP_ligand.pdbqt | data/8H/8HU6-AMP/8HU6-AMP_target.pdbqt | data/8H/8HU6-AMP/8HU6-AMP_decoys.pdbqt | data/8H/8HU6-AMP/8HU6-AMP_decoy_scores.csv |
8HFH-ANP | data/8H/8HFH-ANP/8HFH-ANP_ligand.pdbqt | data/8H/8HFH-ANP/8HFH-ANP_target.pdbqt | data/8H/8HFH-ANP/8HFH-ANP_decoys.pdbqt | data/8H/8HFH-ANP/8HFH-ANP_decoy_scores.csv |
8H59-KR9 | data/8H/8H59-KR9/8H59-KR9_ligand.pdbqt | data/8H/8H59-KR9/8H59-KR9_target.pdbqt | data/8H/8H59-KR9/8H59-KR9_decoys.pdbqt | data/8H/8H59-KR9/8H59-KR9_decoy_scores.csv |
8H7F-QEW | data/8H/8H7F-QEW/8H7F-QEW_ligand.pdbqt | data/8H/8H7F-QEW/8H7F-QEW_target.pdbqt | data/8H/8H7F-QEW/8H7F-QEW_decoys.pdbqt | data/8H/8H7F-QEW/8H7F-QEW_decoy_scores.csv |
8HH0-FL3 | data/8H/8HH0-FL3/8HH0-FL3_ligand.pdbqt | data/8H/8HH0-FL3/8HH0-FL3_target.pdbqt | data/8H/8HH0-FL3/8HH0-FL3_decoys.pdbqt | data/8H/8HH0-FL3/8HH0-FL3_decoy_scores.csv |
8H8S-DMU | data/8H/8H8S-DMU/8H8S-DMU_ligand.pdbqt | data/8H/8H8S-DMU/8H8S-DMU_target.pdbqt | data/8H/8H8S-DMU/8H8S-DMU_decoys.pdbqt | data/8H/8H8S-DMU/8H8S-DMU_decoy_scores.csv |
8H0T-SAH | data/8H/8H0T-SAH/8H0T-SAH_ligand.pdbqt | data/8H/8H0T-SAH/8H0T-SAH_target.pdbqt | data/8H/8H0T-SAH/8H0T-SAH_decoys.pdbqt | data/8H/8H0T-SAH/8H0T-SAH_decoy_scores.csv |
8HDG-O4B | data/8H/8HDG-O4B/8HDG-O4B_ligand.pdbqt | data/8H/8HDG-O4B/8HDG-O4B_target.pdbqt | data/8H/8HDG-O4B/8HDG-O4B_decoys.pdbqt | data/8H/8HDG-O4B/8HDG-O4B_decoy_scores.csv |
3WY2-BGC | data/3W/3WY2-BGC/3WY2-BGC_ligand.pdbqt | data/3W/3WY2-BGC/3WY2-BGC_target.pdbqt | data/3W/3WY2-BGC/3WY2-BGC_decoys.pdbqt | data/3W/3WY2-BGC/3WY2-BGC_decoy_scores.csv |
3WST-SAH | data/3W/3WST-SAH/3WST-SAH_ligand.pdbqt | data/3W/3WST-SAH/3WST-SAH_target.pdbqt | data/3W/3WST-SAH/3WST-SAH_decoys.pdbqt | data/3W/3WST-SAH/3WST-SAH_decoy_scores.csv |
3WZX-IPM | data/3W/3WZX-IPM/3WZX-IPM_ligand.pdbqt | data/3W/3WZX-IPM/3WZX-IPM_target.pdbqt | data/3W/3WZX-IPM/3WZX-IPM_decoys.pdbqt | data/3W/3WZX-IPM/3WZX-IPM_decoy_scores.csv |
3W0S-HY0 | data/3W/3W0S-HY0/3W0S-HY0_ligand.pdbqt | data/3W/3W0S-HY0/3W0S-HY0_target.pdbqt | data/3W/3W0S-HY0/3W0S-HY0_decoys.pdbqt | data/3W/3W0S-HY0/3W0S-HY0_decoy_scores.csv |
3WMX-NAD | data/3W/3WMX-NAD/3WMX-NAD_ligand.pdbqt | data/3W/3WMX-NAD/3WMX-NAD_target.pdbqt | data/3W/3WMX-NAD/3WMX-NAD_decoys.pdbqt | data/3W/3WMX-NAD/3WMX-NAD_decoy_scores.csv |
3WKX-FUB | data/3W/3WKX-FUB/3WKX-FUB_ligand.pdbqt | data/3W/3WKX-FUB/3WKX-FUB_target.pdbqt | data/3W/3WKX-FUB/3WKX-FUB_decoys.pdbqt | data/3W/3WKX-FUB/3WKX-FUB_decoy_scores.csv |
3W0O-HY0 | data/3W/3W0O-HY0/3W0O-HY0_ligand.pdbqt | data/3W/3W0O-HY0/3W0O-HY0_target.pdbqt | data/3W/3W0O-HY0/3W0O-HY0_decoys.pdbqt | data/3W/3W0O-HY0/3W0O-HY0_decoy_scores.csv |
3WRY-AGS | data/3W/3WRY-AGS/3WRY-AGS_ligand.pdbqt | data/3W/3WRY-AGS/3WRY-AGS_target.pdbqt | data/3W/3WRY-AGS/3WRY-AGS_decoys.pdbqt | data/3W/3WRY-AGS/3WRY-AGS_decoy_scores.csv |
3WK9-S0F | data/3W/3WK9-S0F/3WK9-S0F_ligand.pdbqt | data/3W/3WK9-S0F/3WK9-S0F_target.pdbqt | data/3W/3WK9-S0F/3WK9-S0F_decoys.pdbqt | data/3W/3WK9-S0F/3WK9-S0F_decoy_scores.csv |
3WBL-PDY | data/3W/3WBL-PDY/3WBL-PDY_ligand.pdbqt | data/3W/3WBL-PDY/3WBL-PDY_target.pdbqt | data/3W/3WBL-PDY/3WBL-PDY_decoys.pdbqt | data/3W/3WBL-PDY/3WBL-PDY_decoy_scores.csv |
3W1P-ERO | data/3W/3W1P-ERO/3W1P-ERO_ligand.pdbqt | data/3W/3W1P-ERO/3W1P-ERO_target.pdbqt | data/3W/3W1P-ERO/3W1P-ERO_decoys.pdbqt | data/3W/3W1P-ERO/3W1P-ERO_decoy_scores.csv |
3WX9-GLU | data/3W/3WX9-GLU/3WX9-GLU_ligand.pdbqt | data/3W/3WX9-GLU/3WX9-GLU_target.pdbqt | data/3W/3WX9-GLU/3WX9-GLU_decoys.pdbqt | data/3W/3WX9-GLU/3WX9-GLU_decoy_scores.csv |
3W2U-ROU | data/3W/3W2U-ROU/3W2U-ROU_ligand.pdbqt | data/3W/3W2U-ROU/3W2U-ROU_target.pdbqt | data/3W/3W2U-ROU/3W2U-ROU_decoys.pdbqt | data/3W/3W2U-ROU/3W2U-ROU_decoy_scores.csv |
3WIB-NHE | data/3W/3WIB-NHE/3WIB-NHE_ligand.pdbqt | data/3W/3WIB-NHE/3WIB-NHE_target.pdbqt | data/3W/3WIB-NHE/3WIB-NHE_decoys.pdbqt | data/3W/3WIB-NHE/3WIB-NHE_decoy_scores.csv |
3WF3-GAL | data/3W/3WF3-GAL/3WF3-GAL_ligand.pdbqt | data/3W/3WF3-GAL/3WF3-GAL_target.pdbqt | data/3W/3WF3-GAL/3WF3-GAL_decoys.pdbqt | data/3W/3WF3-GAL/3WF3-GAL_decoy_scores.csv |
3WO0-ADP | data/3W/3WO0-ADP/3WO0-ADP_ligand.pdbqt | data/3W/3WO0-ADP/3WO0-ADP_target.pdbqt | data/3W/3WO0-ADP/3WO0-ADP_decoys.pdbqt | data/3W/3WO0-ADP/3WO0-ADP_decoy_scores.csv |
3W18-N13 | data/3W/3W18-N13/3W18-N13_ligand.pdbqt | data/3W/3W18-N13/3W18-N13_target.pdbqt | data/3W/3W18-N13/3W18-N13_decoys.pdbqt | data/3W/3W18-N13/3W18-N13_decoy_scores.csv |
3W9R-P6G | data/3W/3W9R-P6G/3W9R-P6G_ligand.pdbqt | data/3W/3W9R-P6G/3W9R-P6G_target.pdbqt | data/3W/3W9R-P6G/3W9R-P6G_decoys.pdbqt | data/3W/3W9R-P6G/3W9R-P6G_decoy_scores.csv |
3WJX-NUP | data/3W/3WJX-NUP/3WJX-NUP_ligand.pdbqt | data/3W/3WJX-NUP/3WJX-NUP_target.pdbqt | data/3W/3WJX-NUP/3WJX-NUP_decoys.pdbqt | data/3W/3WJX-NUP/3WJX-NUP_decoy_scores.csv |
3WTJ-TH4 | data/3W/3WTJ-TH4/3WTJ-TH4_ligand.pdbqt | data/3W/3WTJ-TH4/3WTJ-TH4_target.pdbqt | data/3W/3WTJ-TH4/3WTJ-TH4_decoys.pdbqt | data/3W/3WTJ-TH4/3WTJ-TH4_decoy_scores.csv |
3WZ7-IXY | data/3W/3WZ7-IXY/3WZ7-IXY_ligand.pdbqt | data/3W/3WZ7-IXY/3WZ7-IXY_target.pdbqt | data/3W/3WZ7-IXY/3WZ7-IXY_decoys.pdbqt | data/3W/3WZ7-IXY/3WZ7-IXY_decoy_scores.csv |
3W2M-ZRO | data/3W/3W2M-ZRO/3W2M-ZRO_ligand.pdbqt | data/3W/3W2M-ZRO/3W2M-ZRO_target.pdbqt | data/3W/3W2M-ZRO/3W2M-ZRO_decoys.pdbqt | data/3W/3W2M-ZRO/3W2M-ZRO_decoy_scores.csv |
3WDK-FLC | data/3W/3WDK-FLC/3WDK-FLC_ligand.pdbqt | data/3W/3WDK-FLC/3WDK-FLC_target.pdbqt | data/3W/3WDK-FLC/3WDK-FLC_decoys.pdbqt | data/3W/3WDK-FLC/3WDK-FLC_decoy_scores.csv |
3WSB-RWZ | data/3W/3WSB-RWZ/3WSB-RWZ_ligand.pdbqt | data/3W/3WSB-RWZ/3WSB-RWZ_target.pdbqt | data/3W/3WSB-RWZ/3WSB-RWZ_decoys.pdbqt | data/3W/3WSB-RWZ/3WSB-RWZ_decoy_scores.csv |
3W7I-W7I | data/3W/3W7I-W7I/3W7I-W7I_ligand.pdbqt | data/3W/3W7I-W7I/3W7I-W7I_target.pdbqt | data/3W/3W7I-W7I/3W7I-W7I_decoys.pdbqt | data/3W/3W7I-W7I/3W7I-W7I_decoy_scores.csv |
3W77-FMN | data/3W/3W77-FMN/3W77-FMN_ligand.pdbqt | data/3W/3W77-FMN/3W77-FMN_target.pdbqt | data/3W/3W77-FMN/3W77-FMN_decoys.pdbqt | data/3W/3W77-FMN/3W77-FMN_decoy_scores.csv |
3W0I-O11 | data/3W/3W0I-O11/3W0I-O11_ligand.pdbqt | data/3W/3W0I-O11/3W0I-O11_target.pdbqt | data/3W/3W0I-O11/3W0I-O11_decoys.pdbqt | data/3W/3W0I-O11/3W0I-O11_decoy_scores.csv |
3WW4-WOO | data/3W/3WW4-WOO/3WW4-WOO_ligand.pdbqt | data/3W/3WW4-WOO/3WW4-WOO_target.pdbqt | data/3W/3WW4-WOO/3WW4-WOO_decoys.pdbqt | data/3W/3WW4-WOO/3WW4-WOO_decoy_scores.csv |
3WGQ-API | data/3W/3WGQ-API/3WGQ-API_ligand.pdbqt | data/3W/3WGQ-API/3WGQ-API_target.pdbqt | data/3W/3WGQ-API/3WGQ-API_decoys.pdbqt | data/3W/3WGQ-API/3WGQ-API_decoy_scores.csv |
3W1U-FMN | data/3W/3W1U-FMN/3W1U-FMN_ligand.pdbqt | data/3W/3W1U-FMN/3W1U-FMN_target.pdbqt | data/3W/3W1U-FMN/3W1U-FMN_decoys.pdbqt | data/3W/3W1U-FMN/3W1U-FMN_decoy_scores.csv |
3W7M-W7M | data/3W/3W7M-W7M/3W7M-W7M_ligand.pdbqt | data/3W/3W7M-W7M/3W7M-W7M_target.pdbqt | data/3W/3W7M-W7M/3W7M-W7M_decoys.pdbqt | data/3W/3W7M-W7M/3W7M-W7M_decoy_scores.csv |
3W1A-FOT | data/3W/3W1A-FOT/3W1A-FOT_ligand.pdbqt | data/3W/3W1A-FOT/3W1A-FOT_target.pdbqt | data/3W/3W1A-FOT/3W1A-FOT_decoys.pdbqt | data/3W/3W1A-FOT/3W1A-FOT_decoy_scores.csv |
3W33-W19 | data/3W/3W33-W19/3W33-W19_ligand.pdbqt | data/3W/3W33-W19/3W33-W19_target.pdbqt | data/3W/3W33-W19/3W33-W19_decoys.pdbqt | data/3W/3W33-W19/3W33-W19_decoy_scores.csv |
3W2I-NAD | data/3W/3W2I-NAD/3W2I-NAD_ligand.pdbqt | data/3W/3W2I-NAD/3W2I-NAD_target.pdbqt | data/3W/3W2I-NAD/3W2I-NAD_decoys.pdbqt | data/3W/3W2I-NAD/3W2I-NAD_decoy_scores.csv |
3W7L-W7L | data/3W/3W7L-W7L/3W7L-W7L_ligand.pdbqt | data/3W/3W7L-W7L/3W7L-W7L_target.pdbqt | data/3W/3W7L-W7L/3W7L-W7L_decoys.pdbqt | data/3W/3W7L-W7L/3W7L-W7L_decoy_scores.csv |
3W1L-HRO | data/3W/3W1L-HRO/3W1L-HRO_ligand.pdbqt | data/3W/3W1L-HRO/3W1L-HRO_target.pdbqt | data/3W/3W1L-HRO/3W1L-HRO_decoys.pdbqt | data/3W/3W1L-HRO/3W1L-HRO_decoy_scores.csv |
3WFA-EDT | data/3W/3WFA-EDT/3WFA-EDT_ligand.pdbqt | data/3W/3WFA-EDT/3WFA-EDT_target.pdbqt | data/3W/3WFA-EDT/3WFA-EDT_decoys.pdbqt | data/3W/3WFA-EDT/3WFA-EDT_decoy_scores.csv |
3WZE-BAX | data/3W/3WZE-BAX/3WZE-BAX_ligand.pdbqt | data/3W/3WZE-BAX/3WZE-BAX_target.pdbqt | data/3W/3WZE-BAX/3WZE-BAX_decoys.pdbqt | data/3W/3WZE-BAX/3WZE-BAX_decoy_scores.csv |
3W2K-KRO | data/3W/3W2K-KRO/3W2K-KRO_ligand.pdbqt | data/3W/3W2K-KRO/3W2K-KRO_target.pdbqt | data/3W/3W2K-KRO/3W2K-KRO_decoys.pdbqt | data/3W/3W2K-KRO/3W2K-KRO_decoy_scores.csv |
3WQT-ANP | data/3W/3WQT-ANP/3WQT-ANP_ligand.pdbqt | data/3W/3WQT-ANP/3WQT-ANP_target.pdbqt | data/3W/3WQT-ANP/3WQT-ANP_decoys.pdbqt | data/3W/3WQT-ANP/3WQT-ANP_decoy_scores.csv |
3WK1-O7E | data/3W/3WK1-O7E/3WK1-O7E_ligand.pdbqt | data/3W/3WK1-O7E/3WK1-O7E_target.pdbqt | data/3W/3WK1-O7E/3WK1-O7E_decoys.pdbqt | data/3W/3WK1-O7E/3WK1-O7E_decoy_scores.csv |
3W7D-FMN | data/3W/3W7D-FMN/3W7D-FMN_ligand.pdbqt | data/3W/3W7D-FMN/3W7D-FMN_target.pdbqt | data/3W/3W7D-FMN/3W7D-FMN_decoys.pdbqt | data/3W/3W7D-FMN/3W7D-FMN_decoy_scores.csv |
3WYQ-BTN | data/3W/3WYQ-BTN/3WYQ-BTN_ligand.pdbqt | data/3W/3WYQ-BTN/3WYQ-BTN_target.pdbqt | data/3W/3WYQ-BTN/3WYQ-BTN_decoys.pdbqt | data/3W/3WYQ-BTN/3WYQ-BTN_decoy_scores.csv |
3WEJ-PS7 | data/3W/3WEJ-PS7/3WEJ-PS7_ligand.pdbqt | data/3W/3WEJ-PS7/3WEJ-PS7_target.pdbqt | data/3W/3WEJ-PS7/3WEJ-PS7_decoys.pdbqt | data/3W/3WEJ-PS7/3WEJ-PS7_decoy_scores.csv |
3W86-W86 | data/3W/3W86-W86/3W86-W86_ligand.pdbqt | data/3W/3W86-W86/3W86-W86_target.pdbqt | data/3W/3W86-W86/3W86-W86_decoys.pdbqt | data/3W/3W86-W86/3W86-W86_decoy_scores.csv |
3WYP-BTN | data/3W/3WYP-BTN/3WYP-BTN_ligand.pdbqt | data/3W/3WYP-BTN/3WYP-BTN_target.pdbqt | data/3W/3WYP-BTN/3WYP-BTN_decoys.pdbqt | data/3W/3WYP-BTN/3WYP-BTN_decoy_scores.csv |
3WLF-FEH | data/3W/3WLF-FEH/3WLF-FEH_ligand.pdbqt | data/3W/3WLF-FEH/3WLF-FEH_target.pdbqt | data/3W/3WLF-FEH/3WLF-FEH_decoys.pdbqt | data/3W/3WLF-FEH/3WLF-FEH_decoy_scores.csv |
3WC3-FLC | data/3W/3WC3-FLC/3WC3-FLC_ligand.pdbqt | data/3W/3WC3-FLC/3WC3-FLC_target.pdbqt | data/3W/3WC3-FLC/3WC3-FLC_decoys.pdbqt | data/3W/3WC3-FLC/3WC3-FLC_decoy_scores.csv |
3WKC-S0J | data/3W/3WKC-S0J/3WKC-S0J_ligand.pdbqt | data/3W/3WKC-S0J/3WKC-S0J_target.pdbqt | data/3W/3WKC-S0J/3WKC-S0J_decoys.pdbqt | data/3W/3WKC-S0J/3WKC-S0J_decoy_scores.csv |
3WHX-XPG | data/3W/3WHX-XPG/3WHX-XPG_ligand.pdbqt | data/3W/3WHX-XPG/3WHX-XPG_target.pdbqt | data/3W/3WHX-XPG/3WHX-XPG_decoys.pdbqt | data/3W/3WHX-XPG/3WHX-XPG_decoy_scores.csv |
3WQ9-YUK | data/3W/3WQ9-YUK/3WQ9-YUK_ligand.pdbqt | data/3W/3WQ9-YUK/3WQ9-YUK_target.pdbqt | data/3W/3WQ9-YUK/3WQ9-YUK_decoys.pdbqt | data/3W/3WQ9-YUK/3WQ9-YUK_decoy_scores.csv |
3W51-AJ2 | data/3W/3W51-AJ2/3W51-AJ2_ligand.pdbqt | data/3W/3W51-AJ2/3W51-AJ2_target.pdbqt | data/3W/3W51-AJ2/3W51-AJ2_decoys.pdbqt | data/3W/3W51-AJ2/3W51-AJ2_decoy_scores.csv |
3W1B-AMP | data/3W/3W1B-AMP/3W1B-AMP_ligand.pdbqt | data/3W/3W1B-AMP/3W1B-AMP_target.pdbqt | data/3W/3W1B-AMP/3W1B-AMP_decoys.pdbqt | data/3W/3W1B-AMP/3W1B-AMP_decoy_scores.csv |
3W6N-GNH | data/3W/3W6N-GNH/3W6N-GNH_ligand.pdbqt | data/3W/3W6N-GNH/3W6N-GNH_target.pdbqt | data/3W/3W6N-GNH/3W6N-GNH_decoys.pdbqt | data/3W/3W6N-GNH/3W6N-GNH_decoy_scores.csv |
3W7Q-W7Q | data/3W/3W7Q-W7Q/3W7Q-W7Q_ligand.pdbqt | data/3W/3W7Q-W7Q/3W7Q-W7Q_target.pdbqt | data/3W/3W7Q-W7Q/3W7Q-W7Q_decoys.pdbqt | data/3W/3W7Q-W7Q/3W7Q-W7Q_decoy_scores.csv |
3W4O-NHE | data/3W/3W4O-NHE/3W4O-NHE_ligand.pdbqt | data/3W/3W4O-NHE/3W4O-NHE_target.pdbqt | data/3W/3W4O-NHE/3W4O-NHE_decoys.pdbqt | data/3W/3W4O-NHE/3W4O-NHE_decoy_scores.csv |
3WEC-AUI | data/3W/3WEC-AUI/3WEC-AUI_ligand.pdbqt | data/3W/3WEC-AUI/3WEC-AUI_target.pdbqt | data/3W/3WEC-AUI/3WEC-AUI_decoys.pdbqt | data/3W/3WEC-AUI/3WEC-AUI_decoy_scores.csv |
3W5P-4OA | data/3W/3W5P-4OA/3W5P-4OA_ligand.pdbqt | data/3W/3W5P-4OA/3W5P-4OA_target.pdbqt | data/3W/3W5P-4OA/3W5P-4OA_decoys.pdbqt | data/3W/3W5P-4OA/3W5P-4OA_decoy_scores.csv |
3W0N-ANP | data/3W/3W0N-ANP/3W0N-ANP_ligand.pdbqt | data/3W/3W0N-ANP/3W0N-ANP_target.pdbqt | data/3W/3W0N-ANP/3W0N-ANP_decoys.pdbqt | data/3W/3W0N-ANP/3W0N-ANP_decoy_scores.csv |
3W2E-NAD | data/3W/3W2E-NAD/3W2E-NAD_ligand.pdbqt | data/3W/3W2E-NAD/3W2E-NAD_target.pdbqt | data/3W/3W2E-NAD/3W2E-NAD_decoys.pdbqt | data/3W/3W2E-NAD/3W2E-NAD_decoy_scores.csv |
3WYP-BSO | data/3W/3WYP-BSO/3WYP-BSO_ligand.pdbqt | data/3W/3WYP-BSO/3WYP-BSO_target.pdbqt | data/3W/3WYP-BSO/3WYP-BSO_decoys.pdbqt | data/3W/3WYP-BSO/3WYP-BSO_decoy_scores.csv |
3WON-TYR | data/3W/3WON-TYR/3WON-TYR_ligand.pdbqt | data/3W/3WON-TYR/3WON-TYR_target.pdbqt | data/3W/3WON-TYR/3WON-TYR_decoys.pdbqt | data/3W/3WON-TYR/3WON-TYR_decoy_scores.csv |
3WFC-10M | data/3W/3WFC-10M/3WFC-10M_ligand.pdbqt | data/3W/3WFC-10M/3WFC-10M_target.pdbqt | data/3W/3WFC-10M/3WFC-10M_decoys.pdbqt | data/3W/3WFC-10M/3WFC-10M_decoy_scores.csv |
3WO2-CPS | data/3W/3WO2-CPS/3WO2-CPS_ligand.pdbqt | data/3W/3WO2-CPS/3WO2-CPS_target.pdbqt | data/3W/3WO2-CPS/3WO2-CPS_decoys.pdbqt | data/3W/3WO2-CPS/3WO2-CPS_decoy_scores.csv |
3W6O-GCP | data/3W/3W6O-GCP/3W6O-GCP_ligand.pdbqt | data/3W/3W6O-GCP/3W6O-GCP_target.pdbqt | data/3W/3W6O-GCP/3W6O-GCP_decoys.pdbqt | data/3W/3W6O-GCP/3W6O-GCP_decoy_scores.csv |
3WH6-GLC | data/3W/3WH6-GLC/3WH6-GLC_ligand.pdbqt | data/3W/3WH6-GLC/3WH6-GLC_target.pdbqt | data/3W/3WH6-GLC/3WH6-GLC_decoys.pdbqt | data/3W/3WH6-GLC/3WH6-GLC_decoy_scores.csv |
3W0Y-DS4 | data/3W/3W0Y-DS4/3W0Y-DS4_ligand.pdbqt | data/3W/3W0Y-DS4/3W0Y-DS4_target.pdbqt | data/3W/3W0Y-DS4/3W0Y-DS4_decoys.pdbqt | data/3W/3W0Y-DS4/3W0Y-DS4_decoy_scores.csv |
3WXO-NIZ | data/3W/3WXO-NIZ/3WXO-NIZ_ligand.pdbqt | data/3W/3WXO-NIZ/3WXO-NIZ_target.pdbqt | data/3W/3WXO-NIZ/3WXO-NIZ_decoys.pdbqt | data/3W/3WXO-NIZ/3WXO-NIZ_decoy_scores.csv |
3WU2-HTG | data/3W/3WU2-HTG/3WU2-HTG_ligand.pdbqt | data/3W/3WU2-HTG/3WU2-HTG_target.pdbqt | data/3W/3WU2-HTG/3WU2-HTG_decoys.pdbqt | data/3W/3WU2-HTG/3WU2-HTG_decoy_scores.csv |
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