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 ⌀ |
|---|---|---|---|---|
4HYJ-LFA | data/4H/4HYJ-LFA/4HYJ-LFA_ligand.pdbqt | data/4H/4HYJ-LFA/4HYJ-LFA_target.pdbqt | data/4H/4HYJ-LFA/4HYJ-LFA_decoys.pdbqt | data/4H/4HYJ-LFA/4HYJ-LFA_decoy_scores.csv |
4HIH-RAM | data/4H/4HIH-RAM/4HIH-RAM_ligand.pdbqt | data/4H/4HIH-RAM/4HIH-RAM_target.pdbqt | data/4H/4HIH-RAM/4HIH-RAM_decoys.pdbqt | data/4H/4HIH-RAM/4HIH-RAM_decoy_scores.csv |
4HMI-THP | data/4H/4HMI-THP/4HMI-THP_ligand.pdbqt | data/4H/4HMI-THP/4HMI-THP_target.pdbqt | data/4H/4HMI-THP/4HMI-THP_decoys.pdbqt | data/4H/4HMI-THP/4HMI-THP_decoy_scores.csv |
4HHU-AE4 | data/4H/4HHU-AE4/4HHU-AE4_ligand.pdbqt | data/4H/4HHU-AE4/4HHU-AE4_target.pdbqt | data/4H/4HHU-AE4/4HHU-AE4_decoys.pdbqt | data/4H/4HHU-AE4/4HHU-AE4_decoy_scores.csv |
4HWL-RET | data/4H/4HWL-RET/4HWL-RET_ligand.pdbqt | data/4H/4HWL-RET/4HWL-RET_target.pdbqt | data/4H/4HWL-RET/4HWL-RET_decoys.pdbqt | data/4H/4HWL-RET/4HWL-RET_decoy_scores.csv |
4HEE-14R | data/4H/4HEE-14R/4HEE-14R_ligand.pdbqt | data/4H/4HEE-14R/4HEE-14R_target.pdbqt | data/4H/4HEE-14R/4HEE-14R_decoys.pdbqt | data/4H/4HEE-14R/4HEE-14R_decoy_scores.csv |
4H59-B3P | data/4H/4H59-B3P/4H59-B3P_ligand.pdbqt | data/4H/4H59-B3P/4H59-B3P_target.pdbqt | data/4H/4H59-B3P/4H59-B3P_decoys.pdbqt | data/4H/4H59-B3P/4H59-B3P_decoy_scores.csv |
4HEF-NXL | data/4H/4HEF-NXL/4HEF-NXL_ligand.pdbqt | data/4H/4HEF-NXL/4HEF-NXL_target.pdbqt | data/4H/4HEF-NXL/4HEF-NXL_decoys.pdbqt | data/4H/4HEF-NXL/4HEF-NXL_decoy_scores.csv |
4HA6-PXM | data/4H/4HA6-PXM/4HA6-PXM_ligand.pdbqt | data/4H/4HA6-PXM/4HA6-PXM_target.pdbqt | data/4H/4HA6-PXM/4HA6-PXM_decoys.pdbqt | data/4H/4HA6-PXM/4HA6-PXM_decoy_scores.csv |
4H6K-FMN | data/4H/4H6K-FMN/4H6K-FMN_ligand.pdbqt | data/4H/4H6K-FMN/4H6K-FMN_target.pdbqt | data/4H/4H6K-FMN/4H6K-FMN_decoys.pdbqt | data/4H/4H6K-FMN/4H6K-FMN_decoy_scores.csv |
4H2Y-PNS | data/4H/4H2Y-PNS/4H2Y-PNS_ligand.pdbqt | data/4H/4H2Y-PNS/4H2Y-PNS_target.pdbqt | data/4H/4H2Y-PNS/4H2Y-PNS_decoys.pdbqt | data/4H/4H2Y-PNS/4H2Y-PNS_decoy_scores.csv |
4HVK-PMP | data/4H/4HVK-PMP/4HVK-PMP_ligand.pdbqt | data/4H/4HVK-PMP/4HVK-PMP_target.pdbqt | data/4H/4HVK-PMP/4HVK-PMP_decoys.pdbqt | data/4H/4HVK-PMP/4HVK-PMP_decoy_scores.csv |
4H4L-HIS | data/4H/4H4L-HIS/4H4L-HIS_ligand.pdbqt | data/4H/4H4L-HIS/4H4L-HIS_target.pdbqt | data/4H/4H4L-HIS/4H4L-HIS_decoys.pdbqt | data/4H/4H4L-HIS/4H4L-HIS_decoy_scores.csv |
4H0W-NTA | data/4H/4H0W-NTA/4H0W-NTA_ligand.pdbqt | data/4H/4H0W-NTA/4H0W-NTA_target.pdbqt | null | null |
4H2V-H2V | data/4H/4H2V-H2V/4H2V-H2V_ligand.pdbqt | data/4H/4H2V-H2V/4H2V-H2V_target.pdbqt | data/4H/4H2V-H2V/4H2V-H2V_decoys.pdbqt | data/4H/4H2V-H2V/4H2V-H2V_decoy_scores.csv |
4H76-10B | data/4H/4H76-10B/4H76-10B_ligand.pdbqt | data/4H/4H76-10B/4H76-10B_target.pdbqt | data/4H/4H76-10B/4H76-10B_decoys.pdbqt | data/4H/4H76-10B/4H76-10B_decoy_scores.csv |
4H5D-YS4 | data/4H/4H5D-YS4/4H5D-YS4_ligand.pdbqt | data/4H/4H5D-YS4/4H5D-YS4_target.pdbqt | data/4H/4H5D-YS4/4H5D-YS4_decoys.pdbqt | data/4H/4H5D-YS4/4H5D-YS4_decoy_scores.csv |
4HVB-19P | data/4H/4HVB-19P/4HVB-19P_ligand.pdbqt | data/4H/4HVB-19P/4HVB-19P_target.pdbqt | data/4H/4HVB-19P/4HVB-19P_decoys.pdbqt | data/4H/4HVB-19P/4HVB-19P_decoy_scores.csv |
4HR5-PLM | data/4H/4HR5-PLM/4HR5-PLM_ligand.pdbqt | data/4H/4HR5-PLM/4HR5-PLM_target.pdbqt | data/4H/4HR5-PLM/4HR5-PLM_decoys.pdbqt | data/4H/4HR5-PLM/4HR5-PLM_decoy_scores.csv |
4H81-ADP | data/4H/4H81-ADP/4H81-ADP_ligand.pdbqt | data/4H/4H81-ADP/4H81-ADP_target.pdbqt | data/4H/4H81-ADP/4H81-ADP_decoys.pdbqt | data/4H/4H81-ADP/4H81-ADP_decoy_scores.csv |
4HT3-BCN | data/4H/4HT3-BCN/4HT3-BCN_ligand.pdbqt | data/4H/4HT3-BCN/4HT3-BCN_target.pdbqt | null | null |
4HV3-19L | data/4H/4HV3-19L/4HV3-19L_ligand.pdbqt | data/4H/4HV3-19L/4HV3-19L_target.pdbqt | data/4H/4HV3-19L/4HV3-19L_decoys.pdbqt | data/4H/4HV3-19L/4HV3-19L_decoy_scores.csv |
4HAU-RJA | data/4H/4HAU-RJA/4HAU-RJA_ligand.pdbqt | data/4H/4HAU-RJA/4HAU-RJA_target.pdbqt | data/4H/4HAU-RJA/4HAU-RJA_decoys.pdbqt | data/4H/4HAU-RJA/4HAU-RJA_decoy_scores.csv |
4HJ6-FMN | data/4H/4HJ6-FMN/4HJ6-FMN_ligand.pdbqt | data/4H/4HJ6-FMN/4HJ6-FMN_target.pdbqt | data/4H/4HJ6-FMN/4HJ6-FMN_decoys.pdbqt | data/4H/4HJ6-FMN/4HJ6-FMN_decoy_scores.csv |
4H1E-10J | data/4H/4H1E-10J/4H1E-10J_ligand.pdbqt | data/4H/4H1E-10J/4H1E-10J_target.pdbqt | data/4H/4H1E-10J/4H1E-10J_decoys.pdbqt | data/4H/4H1E-10J/4H1E-10J_decoy_scores.csv |
4HTG-18W | data/4H/4HTG-18W/4HTG-18W_ligand.pdbqt | data/4H/4HTG-18W/4HTG-18W_target.pdbqt | data/4H/4HTG-18W/4HTG-18W_decoys.pdbqt | data/4H/4HTG-18W/4HTG-18W_decoy_scores.csv |
4HSN-PEP | data/4H/4HSN-PEP/4HSN-PEP_ligand.pdbqt | data/4H/4HSN-PEP/4HSN-PEP_target.pdbqt | data/4H/4HSN-PEP/4HSN-PEP_decoys.pdbqt | data/4H/4HSN-PEP/4HSN-PEP_decoy_scores.csv |
4H7C-10H | data/4H/4H7C-10H/4H7C-10H_ligand.pdbqt | data/4H/4H7C-10H/4H7C-10H_target.pdbqt | data/4H/4H7C-10H/4H7C-10H_decoys.pdbqt | data/4H/4H7C-10H/4H7C-10H_decoy_scores.csv |
4H69-10Y | data/4H/4H69-10Y/4H69-10Y_ligand.pdbqt | data/4H/4H69-10Y/4H69-10Y_target.pdbqt | data/4H/4H69-10Y/4H69-10Y_decoys.pdbqt | data/4H/4H69-10Y/4H69-10Y_decoy_scores.csv |
4H5C-YS4 | data/4H/4H5C-YS4/4H5C-YS4_ligand.pdbqt | data/4H/4H5C-YS4/4H5C-YS4_target.pdbqt | data/4H/4H5C-YS4/4H5C-YS4_decoys.pdbqt | data/4H/4H5C-YS4/4H5C-YS4_decoy_scores.csv |
4HO3-TTP | data/4H/4HO3-TTP/4HO3-TTP_ligand.pdbqt | data/4H/4HO3-TTP/4HO3-TTP_target.pdbqt | data/4H/4HO3-TTP/4HO3-TTP_decoys.pdbqt | data/4H/4HO3-TTP/4HO3-TTP_decoy_scores.csv |
4HPX-BCN | data/4H/4HPX-BCN/4HPX-BCN_ligand.pdbqt | data/4H/4HPX-BCN/4HPX-BCN_target.pdbqt | null | null |
4H3Z-SAH | data/4H/4H3Z-SAH/4H3Z-SAH_ligand.pdbqt | data/4H/4H3Z-SAH/4H3Z-SAH_target.pdbqt | data/4H/4H3Z-SAH/4H3Z-SAH_decoys.pdbqt | data/4H/4H3Z-SAH/4H3Z-SAH_decoy_scores.csv |
4HO6-UPG | data/4H/4HO6-UPG/4HO6-UPG_ligand.pdbqt | data/4H/4HO6-UPG/4HO6-UPG_target.pdbqt | data/4H/4HO6-UPG/4HO6-UPG_decoys.pdbqt | data/4H/4HO6-UPG/4HO6-UPG_decoy_scores.csv |
4HAU-GNP | data/4H/4HAU-GNP/4HAU-GNP_ligand.pdbqt | data/4H/4HAU-GNP/4HAU-GNP_target.pdbqt | data/4H/4HAU-GNP/4HAU-GNP_decoys.pdbqt | data/4H/4HAU-GNP/4HAU-GNP_decoy_scores.csv |
4H71-PXE | data/4H/4H71-PXE/4H71-PXE_ligand.pdbqt | data/4H/4H71-PXE/4H71-PXE_target.pdbqt | data/4H/4H71-PXE/4H71-PXE_decoys.pdbqt | data/4H/4H71-PXE/4H71-PXE_decoy_scores.csv |
4H41-PE4 | data/4H/4H41-PE4/4H41-PE4_ligand.pdbqt | data/4H/4H41-PE4/4H41-PE4_target.pdbqt | data/4H/4H41-PE4/4H41-PE4_decoys.pdbqt | data/4H/4H41-PE4/4H41-PE4_decoy_scores.csv |
4HHR-BNG | data/4H/4HHR-BNG/4HHR-BNG_ligand.pdbqt | data/4H/4HHR-BNG/4HHR-BNG_target.pdbqt | data/4H/4HHR-BNG/4HHR-BNG_decoys.pdbqt | data/4H/4HHR-BNG/4HHR-BNG_decoy_scores.csv |
4HMB-PZZ | data/4H/4HMB-PZZ/4HMB-PZZ_ligand.pdbqt | data/4H/4HMB-PZZ/4HMB-PZZ_target.pdbqt | data/4H/4HMB-PZZ/4HMB-PZZ_decoys.pdbqt | data/4H/4HMB-PZZ/4HMB-PZZ_decoy_scores.csv |
4HB0-LBF | data/4H/4HB0-LBF/4HB0-LBF_ligand.pdbqt | data/4H/4HB0-LBF/4HB0-LBF_target.pdbqt | data/4H/4HB0-LBF/4HB0-LBF_decoys.pdbqt | data/4H/4HB0-LBF/4HB0-LBF_decoy_scores.csv |
4HT3-PG5 | data/4H/4HT3-PG5/4HT3-PG5_ligand.pdbqt | data/4H/4HT3-PG5/4HT3-PG5_target.pdbqt | null | null |
4HD8-PIT | data/4H/4HD8-PIT/4HD8-PIT_ligand.pdbqt | data/4H/4HD8-PIT/4HD8-PIT_target.pdbqt | data/4H/4HD8-PIT/4HD8-PIT_decoys.pdbqt | data/4H/4HD8-PIT/4HD8-PIT_decoy_scores.csv |
4HJT-18A | data/4H/4HJT-18A/4HJT-18A_ligand.pdbqt | data/4H/4HJT-18A/4HJT-18A_target.pdbqt | data/4H/4HJT-18A/4HJT-18A_decoys.pdbqt | data/4H/4HJT-18A/4HJT-18A_decoy_scores.csv |
4HPJ-BCN | data/4H/4HPJ-BCN/4HPJ-BCN_ligand.pdbqt | data/4H/4HPJ-BCN/4HPJ-BCN_target.pdbqt | null | null |
4H8E-FPP | data/4H/4H8E-FPP/4H8E-FPP_ligand.pdbqt | data/4H/4H8E-FPP/4H8E-FPP_target.pdbqt | data/4H/4H8E-FPP/4H8E-FPP_decoys.pdbqt | data/4H/4H8E-FPP/4H8E-FPP_decoy_scores.csv |
4H0T-AR6 | data/4H/4H0T-AR6/4H0T-AR6_ligand.pdbqt | data/4H/4H0T-AR6/4H0T-AR6_target.pdbqt | data/4H/4H0T-AR6/4H0T-AR6_decoys.pdbqt | data/4H/4H0T-AR6/4H0T-AR6_decoy_scores.csv |
4HP5-GLC | data/4H/4HP5-GLC/4HP5-GLC_ligand.pdbqt | data/4H/4HP5-GLC/4HP5-GLC_target.pdbqt | data/4H/4HP5-GLC/4HP5-GLC_decoys.pdbqt | data/4H/4HP5-GLC/4HP5-GLC_decoy_scores.csv |
4H7O-ARG | data/4H/4H7O-ARG/4H7O-ARG_ligand.pdbqt | data/4H/4H7O-ARG/4H7O-ARG_target.pdbqt | data/4H/4H7O-ARG/4H7O-ARG_decoys.pdbqt | data/4H/4H7O-ARG/4H7O-ARG_decoy_scores.csv |
4HGS-15G | data/4H/4HGS-15G/4HGS-15G_ligand.pdbqt | data/4H/4HGS-15G/4HGS-15G_target.pdbqt | data/4H/4HGS-15G/4HGS-15G_decoys.pdbqt | data/4H/4HGS-15G/4HGS-15G_decoy_scores.csv |
4H9T-HL4 | data/4H/4H9T-HL4/4H9T-HL4_ligand.pdbqt | data/4H/4H9T-HL4/4H9T-HL4_target.pdbqt | data/4H/4H9T-HL4/4H9T-HL4_decoys.pdbqt | data/4H/4H9T-HL4/4H9T-HL4_decoy_scores.csv |
4HNN-LYS | data/4H/4HNN-LYS/4HNN-LYS_ligand.pdbqt | data/4H/4HNN-LYS/4HNN-LYS_target.pdbqt | data/4H/4HNN-LYS/4HNN-LYS_decoys.pdbqt | data/4H/4HNN-LYS/4HNN-LYS_decoy_scores.csv |
4HBX-14X | data/4H/4HBX-14X/4HBX-14X_ligand.pdbqt | data/4H/4HBX-14X/4HBX-14X_target.pdbqt | data/4H/4HBX-14X/4HBX-14X_decoys.pdbqt | data/4H/4HBX-14X/4HBX-14X_decoy_scores.csv |
4HLF-15Z | data/4H/4HLF-15Z/4HLF-15Z_ligand.pdbqt | data/4H/4HLF-15Z/4HLF-15Z_target.pdbqt | data/4H/4HLF-15Z/4HLF-15Z_decoys.pdbqt | data/4H/4HLF-15Z/4HLF-15Z_decoy_scores.csv |
4HOE-18G | data/4H/4HOE-18G/4HOE-18G_ligand.pdbqt | data/4H/4HOE-18G/4HOE-18G_target.pdbqt | data/4H/4HOE-18G/4HOE-18G_decoys.pdbqt | data/4H/4HOE-18G/4HOE-18G_decoy_scores.csv |
4H3X-10B | data/4H/4H3X-10B/4H3X-10B_ligand.pdbqt | data/4H/4H3X-10B/4H3X-10B_target.pdbqt | data/4H/4H3X-10B/4H3X-10B_decoys.pdbqt | data/4H/4H3X-10B/4H3X-10B_decoy_scores.csv |
4HAZ-GNP | data/4H/4HAZ-GNP/4HAZ-GNP_ligand.pdbqt | data/4H/4HAZ-GNP/4HAZ-GNP_target.pdbqt | data/4H/4HAZ-GNP/4HAZ-GNP_decoys.pdbqt | data/4H/4HAZ-GNP/4HAZ-GNP_decoy_scores.csv |
4H2S-PNS | data/4H/4H2S-PNS/4H2S-PNS_ligand.pdbqt | data/4H/4H2S-PNS/4H2S-PNS_target.pdbqt | data/4H/4H2S-PNS/4H2S-PNS_decoys.pdbqt | data/4H/4H2S-PNS/4H2S-PNS_decoy_scores.csv |
4HVA-4HV | data/4H/4HVA-4HV/4HVA-4HV_ligand.pdbqt | data/4H/4HVA-4HV/4HVA-4HV_target.pdbqt | data/4H/4HVA-4HV/4HVA-4HV_decoys.pdbqt | data/4H/4HVA-4HV/4HVA-4HV_decoy_scores.csv |
4HB0-GNP | data/4H/4HB0-GNP/4HB0-GNP_ligand.pdbqt | data/4H/4HB0-GNP/4HB0-GNP_target.pdbqt | data/4H/4HB0-GNP/4HB0-GNP_decoys.pdbqt | data/4H/4HB0-GNP/4HB0-GNP_decoy_scores.csv |
4H2H-0XW | data/4H/4H2H-0XW/4H2H-0XW_ligand.pdbqt | data/4H/4H2H-0XW/4H2H-0XW_target.pdbqt | data/4H/4H2H-0XW/4H2H-0XW_decoys.pdbqt | data/4H/4H2H-0XW/4H2H-0XW_decoy_scores.csv |
4H38-0YX | data/4H/4H38-0YX/4H38-0YX_ligand.pdbqt | data/4H/4H38-0YX/4H38-0YX_target.pdbqt | data/4H/4H38-0YX/4H38-0YX_decoys.pdbqt | data/4H/4H38-0YX/4H38-0YX_decoy_scores.csv |
4HUP-19M | data/4H/4HUP-19M/4HUP-19M_ligand.pdbqt | data/4H/4HUP-19M/4HUP-19M_target.pdbqt | data/4H/4HUP-19M/4HUP-19M_decoys.pdbqt | data/4H/4HUP-19M/4HUP-19M_decoy_scores.csv |
4HAV-AA8 | data/4H/4HAV-AA8/4HAV-AA8_ligand.pdbqt | data/4H/4HAV-AA8/4HAV-AA8_target.pdbqt | data/4H/4HAV-AA8/4HAV-AA8_decoys.pdbqt | data/4H/4HAV-AA8/4HAV-AA8_decoy_scores.csv |
4HDH-ATP | data/4H/4HDH-ATP/4HDH-ATP_ligand.pdbqt | data/4H/4HDH-ATP/4HDH-ATP_target.pdbqt | data/4H/4HDH-ATP/4HDH-ATP_decoys.pdbqt | data/4H/4HDH-ATP/4HDH-ATP_decoy_scores.csv |
4HN2-ANP | data/4H/4HN2-ANP/4HN2-ANP_ligand.pdbqt | data/4H/4HN2-ANP/4HN2-ANP_target.pdbqt | data/4H/4HN2-ANP/4HN2-ANP_decoys.pdbqt | data/4H/4HN2-ANP/4HN2-ANP_decoy_scores.csv |
4HG7-NUT | data/4H/4HG7-NUT/4HG7-NUT_ligand.pdbqt | data/4H/4HG7-NUT/4HG7-NUT_target.pdbqt | data/4H/4HG7-NUT/4HG7-NUT_decoys.pdbqt | data/4H/4HG7-NUT/4HG7-NUT_decoy_scores.csv |
4HTX-19F | data/4H/4HTX-19F/4HTX-19F_ligand.pdbqt | data/4H/4HTX-19F/4HTX-19F_target.pdbqt | data/4H/4HTX-19F/4HTX-19F_decoys.pdbqt | data/4H/4HTX-19F/4HTX-19F_decoy_scores.csv |
4H3G-10Q | data/4H/4H3G-10Q/4H3G-10Q_ligand.pdbqt | data/4H/4H3G-10Q/4H3G-10Q_target.pdbqt | data/4H/4H3G-10Q/4H3G-10Q_decoys.pdbqt | data/4H/4H3G-10Q/4H3G-10Q_decoy_scores.csv |
4HAV-GNP | data/4H/4HAV-GNP/4HAV-GNP_ligand.pdbqt | data/4H/4HAV-GNP/4HAV-GNP_target.pdbqt | data/4H/4HAV-GNP/4HAV-GNP_decoys.pdbqt | data/4H/4HAV-GNP/4HAV-GNP_decoy_scores.csv |
4HLK-431 | data/4H/4HLK-431/4HLK-431_ligand.pdbqt | data/4H/4HLK-431/4HLK-431_target.pdbqt | data/4H/4HLK-431/4HLK-431_decoys.pdbqt | data/4H/4HLK-431/4HLK-431_decoy_scores.csv |
4HVC-ANP | data/4H/4HVC-ANP/4HVC-ANP_ligand.pdbqt | data/4H/4HVC-ANP/4HVC-ANP_target.pdbqt | data/4H/4HVC-ANP/4HVC-ANP_decoys.pdbqt | data/4H/4HVC-ANP/4HVC-ANP_decoy_scores.csv |
4H85-ADP | data/4H/4H85-ADP/4H85-ADP_ligand.pdbqt | data/4H/4H85-ADP/4H85-ADP_target.pdbqt | data/4H/4H85-ADP/4H85-ADP_decoys.pdbqt | data/4H/4H85-ADP/4H85-ADP_decoy_scores.csv |
4HR4-PLM | data/4H/4HR4-PLM/4HR4-PLM_ligand.pdbqt | data/4H/4HR4-PLM/4HR4-PLM_target.pdbqt | data/4H/4HR4-PLM/4HR4-PLM_decoys.pdbqt | data/4H/4HR4-PLM/4HR4-PLM_decoy_scores.csv |
4HN1-THM | data/4H/4HN1-THM/4HN1-THM_ligand.pdbqt | data/4H/4HN1-THM/4HN1-THM_target.pdbqt | data/4H/4HN1-THM/4HN1-THM_decoys.pdbqt | data/4H/4HN1-THM/4HN1-THM_decoy_scores.csv |
4HSG-KTD | data/4H/4HSG-KTD/4HSG-KTD_ligand.pdbqt | data/4H/4HSG-KTD/4HSG-KTD_target.pdbqt | data/4H/4HSG-KTD/4HSG-KTD_decoys.pdbqt | data/4H/4HSG-KTD/4HSG-KTD_decoy_scores.csv |
4H16-P6G | data/4H/4H16-P6G/4H16-P6G_ligand.pdbqt | data/4H/4H16-P6G/4H16-P6G_target.pdbqt | data/4H/4H16-P6G/4H16-P6G_decoys.pdbqt | data/4H/4H16-P6G/4H16-P6G_decoy_scores.csv |
4HOZ-GLC | data/4H/4HOZ-GLC/4HOZ-GLC_ligand.pdbqt | data/4H/4HOZ-GLC/4HOZ-GLC_target.pdbqt | data/4H/4HOZ-GLC/4HOZ-GLC_decoys.pdbqt | data/4H/4HOZ-GLC/4HOZ-GLC_decoy_scores.csv |
4H0Y-LAR | data/4H/4H0Y-LAR/4H0Y-LAR_ligand.pdbqt | data/4H/4H0Y-LAR/4H0Y-LAR_target.pdbqt | data/4H/4H0Y-LAR/4H0Y-LAR_decoys.pdbqt | data/4H/4H0Y-LAR/4H0Y-LAR_decoy_scores.csv |
4HYU-1BK | data/4H/4HYU-1BK/4HYU-1BK_ligand.pdbqt | data/4H/4HYU-1BK/4HYU-1BK_target.pdbqt | data/4H/4HYU-1BK/4HYU-1BK_decoys.pdbqt | data/4H/4HYU-1BK/4HYU-1BK_decoy_scores.csv |
4HMH-F94 | data/4H/4HMH-F94/4HMH-F94_ligand.pdbqt | data/4H/4HMH-F94/4HMH-F94_target.pdbqt | data/4H/4HMH-F94/4HMH-F94_decoys.pdbqt | data/4H/4HMH-F94/4HMH-F94_decoy_scores.csv |
4HB2-GNP | data/4H/4HB2-GNP/4HB2-GNP_ligand.pdbqt | data/4H/4HB2-GNP/4HB2-GNP_target.pdbqt | data/4H/4HB2-GNP/4HB2-GNP_decoys.pdbqt | data/4H/4HB2-GNP/4HB2-GNP_decoy_scores.csv |
4HJH-G6Q | data/4H/4HJH-G6Q/4HJH-G6Q_ligand.pdbqt | data/4H/4HJH-G6Q/4HJH-G6Q_target.pdbqt | data/4H/4HJH-G6Q/4HJH-G6Q_decoys.pdbqt | data/4H/4HJH-G6Q/4HJH-G6Q_decoy_scores.csv |
4HIB-16B | data/4H/4HIB-16B/4HIB-16B_ligand.pdbqt | data/4H/4HIB-16B/4HIB-16B_target.pdbqt | data/4H/4HIB-16B/4HIB-16B_decoys.pdbqt | data/4H/4HIB-16B/4HIB-16B_decoy_scores.csv |
4HBU-NXL | data/4H/4HBU-NXL/4HBU-NXL_ligand.pdbqt | data/4H/4HBU-NXL/4HBU-NXL_target.pdbqt | data/4H/4HBU-NXL/4HBU-NXL_decoys.pdbqt | data/4H/4HBU-NXL/4HBU-NXL_decoy_scores.csv |
4H2U-ATP | data/4H/4H2U-ATP/4H2U-ATP_ligand.pdbqt | data/4H/4H2U-ATP/4H2U-ATP_target.pdbqt | data/4H/4H2U-ATP/4H2U-ATP_decoys.pdbqt | data/4H/4H2U-ATP/4H2U-ATP_decoy_scores.csv |
4HX5-19V | data/4H/4HX5-19V/4HX5-19V_ligand.pdbqt | data/4H/4HX5-19V/4HX5-19V_target.pdbqt | data/4H/4HX5-19V/4HX5-19V_decoys.pdbqt | data/4H/4HX5-19V/4HX5-19V_decoy_scores.csv |
4HO9-GDU | data/4H/4HO9-GDU/4HO9-GDU_ligand.pdbqt | data/4H/4HO9-GDU/4HO9-GDU_target.pdbqt | data/4H/4HO9-GDU/4HO9-GDU_decoys.pdbqt | data/4H/4HO9-GDU/4HO9-GDU_decoy_scores.csv |
4HIQ-16V | data/4H/4HIQ-16V/4HIQ-16V_ligand.pdbqt | data/4H/4HIQ-16V/4HIQ-16V_target.pdbqt | data/4H/4HIQ-16V/4HIQ-16V_decoys.pdbqt | data/4H/4HIQ-16V/4HIQ-16V_decoy_scores.csv |
4HGO-KDN | data/4H/4HGO-KDN/4HGO-KDN_ligand.pdbqt | data/4H/4HGO-KDN/4HGO-KDN_target.pdbqt | null | null |
4HPW-3YM | data/4H/4HPW-3YM/4HPW-3YM_ligand.pdbqt | data/4H/4HPW-3YM/4HPW-3YM_target.pdbqt | data/4H/4HPW-3YM/4HPW-3YM_decoys.pdbqt | data/4H/4HPW-3YM/4HPW-3YM_decoy_scores.csv |
4HR0-PLM | data/4H/4HR0-PLM/4HR0-PLM_ligand.pdbqt | data/4H/4HR0-PLM/4HR0-PLM_target.pdbqt | data/4H/4HR0-PLM/4HR0-PLM_decoys.pdbqt | data/4H/4HR0-PLM/4HR0-PLM_decoy_scores.csv |
4HKY-FPM | data/4H/4HKY-FPM/4HKY-FPM_ligand.pdbqt | data/4H/4HKY-FPM/4HKY-FPM_target.pdbqt | data/4H/4HKY-FPM/4HKY-FPM_decoys.pdbqt | data/4H/4HKY-FPM/4HKY-FPM_decoy_scores.csv |
4HPX-F9F | data/4H/4HPX-F9F/4HPX-F9F_ligand.pdbqt | data/4H/4HPX-F9F/4HPX-F9F_target.pdbqt | null | null |
4HXN-1A7 | data/4H/4HXN-1A7/4HXN-1A7_ligand.pdbqt | data/4H/4HXN-1A7/4HXN-1A7_target.pdbqt | data/4H/4HXN-1A7/4HXN-1A7_decoys.pdbqt | data/4H/4HXN-1A7/4HXN-1A7_decoy_scores.csv |
4HB4-GNP | data/4H/4HB4-GNP/4HB4-GNP_ligand.pdbqt | data/4H/4HB4-GNP/4HB4-GNP_target.pdbqt | data/4H/4HB4-GNP/4HB4-GNP_decoys.pdbqt | data/4H/4HB4-GNP/4HB4-GNP_decoy_scores.csv |
4HAJ-DXC | data/4H/4HAJ-DXC/4HAJ-DXC_ligand.pdbqt | data/4H/4HAJ-DXC/4HAJ-DXC_target.pdbqt | data/4H/4HAJ-DXC/4HAJ-DXC_decoys.pdbqt | data/4H/4HAJ-DXC/4HAJ-DXC_decoy_scores.csv |
4HOC-UD1 | data/4H/4HOC-UD1/4HOC-UD1_ligand.pdbqt | data/4H/4HOC-UD1/4HOC-UD1_target.pdbqt | data/4H/4HOC-UD1/4HOC-UD1_decoys.pdbqt | data/4H/4HOC-UD1/4HOC-UD1_decoy_scores.csv |
4HSO-PEP | data/4H/4HSO-PEP/4HSO-PEP_ligand.pdbqt | data/4H/4HSO-PEP/4HSO-PEP_target.pdbqt | data/4H/4HSO-PEP/4HSO-PEP_decoys.pdbqt | data/4H/4HSO-PEP/4HSO-PEP_decoy_scores.csv |
4HAT-GNP | data/4H/4HAT-GNP/4HAT-GNP_ligand.pdbqt | data/4H/4HAT-GNP/4HAT-GNP_target.pdbqt | data/4H/4HAT-GNP/4HAT-GNP_decoys.pdbqt | data/4H/4HAT-GNP/4HAT-GNP_decoy_scores.csv |
4HXL-1A9 | data/4H/4HXL-1A9/4HXL-1A9_ligand.pdbqt | data/4H/4HXL-1A9/4HXL-1A9_target.pdbqt | data/4H/4HXL-1A9/4HXL-1A9_decoys.pdbqt | data/4H/4HXL-1A9/4HXL-1A9_decoy_scores.csv |
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