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 ⌀ |
|---|---|---|---|---|
2RA0-JNJ | data/2R/2RA0-JNJ/2RA0-JNJ_ligand.pdbqt | data/2R/2RA0-JNJ/2RA0-JNJ_target.pdbqt | data/2R/2RA0-JNJ/2RA0-JNJ_decoys.pdbqt | data/2R/2RA0-JNJ/2RA0-JNJ_decoy_scores.csv |
2RHL-GDP | data/2R/2RHL-GDP/2RHL-GDP_ligand.pdbqt | data/2R/2RHL-GDP/2RHL-GDP_target.pdbqt | data/2R/2RHL-GDP/2RHL-GDP_decoys.pdbqt | data/2R/2RHL-GDP/2RHL-GDP_decoy_scores.csv |
2RJR-295 | data/2R/2RJR-295/2RJR-295_ligand.pdbqt | data/2R/2RJR-295/2RJR-295_target.pdbqt | data/2R/2RJR-295/2RJR-295_decoys.pdbqt | data/2R/2RJR-295/2RJR-295_decoy_scores.csv |
2RL8-M6D | data/2R/2RL8-M6D/2RL8-M6D_ligand.pdbqt | data/2R/2RL8-M6D/2RL8-M6D_target.pdbqt | data/2R/2RL8-M6D/2RL8-M6D_decoys.pdbqt | data/2R/2RL8-M6D/2RL8-M6D_decoy_scores.csv |
2R2L-FPP | data/2R/2R2L-FPP/2R2L-FPP_ligand.pdbqt | data/2R/2R2L-FPP/2R2L-FPP_target.pdbqt | data/2R/2R2L-FPP/2R2L-FPP_decoys.pdbqt | data/2R/2R2L-FPP/2R2L-FPP_decoy_scores.csv |
2R46-T3A | data/2R/2R46-T3A/2R46-T3A_ligand.pdbqt | data/2R/2R46-T3A/2R46-T3A_target.pdbqt | data/2R/2R46-T3A/2R46-T3A_decoys.pdbqt | data/2R/2R46-T3A/2R46-T3A_decoy_scores.csv |
2RJ4-UDP | data/2R/2RJ4-UDP/2RJ4-UDP_ligand.pdbqt | data/2R/2RJ4-UDP/2RJ4-UDP_target.pdbqt | data/2R/2RJ4-UDP/2RJ4-UDP_decoys.pdbqt | data/2R/2RJ4-UDP/2RJ4-UDP_decoy_scores.csv |
2R38-G4G | data/2R/2R38-G4G/2R38-G4G_ligand.pdbqt | data/2R/2R38-G4G/2R38-G4G_target.pdbqt | data/2R/2R38-G4G/2R38-G4G_decoys.pdbqt | data/2R/2R38-G4G/2R38-G4G_decoy_scores.csv |
2RJH-DCS | data/2R/2RJH-DCS/2RJH-DCS_ligand.pdbqt | data/2R/2RJH-DCS/2RJH-DCS_target.pdbqt | data/2R/2RJH-DCS/2RJH-DCS_decoys.pdbqt | data/2R/2RJH-DCS/2RJH-DCS_decoy_scores.csv |
2R8T-FBP | data/2R/2R8T-FBP/2R8T-FBP_ligand.pdbqt | data/2R/2R8T-FBP/2R8T-FBP_target.pdbqt | data/2R/2R8T-FBP/2R8T-FBP_decoys.pdbqt | data/2R/2R8T-FBP/2R8T-FBP_decoy_scores.csv |
2RLC-CHD | data/2R/2RLC-CHD/2RLC-CHD_ligand.pdbqt | data/2R/2RLC-CHD/2RLC-CHD_target.pdbqt | data/2R/2RLC-CHD/2RLC-CHD_decoys.pdbqt | data/2R/2RLC-CHD/2RLC-CHD_decoy_scores.csv |
2R3F-SC8 | data/2R/2R3F-SC8/2R3F-SC8_ligand.pdbqt | data/2R/2R3F-SC8/2R3F-SC8_target.pdbqt | data/2R/2R3F-SC8/2R3F-SC8_decoys.pdbqt | data/2R/2R3F-SC8/2R3F-SC8_decoy_scores.csv |
2RDW-FMN | data/2R/2RDW-FMN/2RDW-FMN_ligand.pdbqt | data/2R/2RDW-FMN/2RDW-FMN_target.pdbqt | data/2R/2RDW-FMN/2RDW-FMN_decoys.pdbqt | data/2R/2RDW-FMN/2RDW-FMN_decoy_scores.csv |
2R46-PEP | data/2R/2R46-PEP/2R46-PEP_ligand.pdbqt | data/2R/2R46-PEP/2R46-PEP_target.pdbqt | data/2R/2R46-PEP/2R46-PEP_decoys.pdbqt | data/2R/2R46-PEP/2R46-PEP_decoy_scores.csv |
2R84-AMZ | data/2R/2R84-AMZ/2R84-AMZ_ligand.pdbqt | data/2R/2R84-AMZ/2R84-AMZ_target.pdbqt | data/2R/2R84-AMZ/2R84-AMZ_decoys.pdbqt | data/2R/2R84-AMZ/2R84-AMZ_decoy_scores.csv |
2RHS-GAX | data/2R/2RHS-GAX/2RHS-GAX_ligand.pdbqt | data/2R/2RHS-GAX/2RHS-GAX_target.pdbqt | data/2R/2RHS-GAX/2RHS-GAX_decoys.pdbqt | data/2R/2RHS-GAX/2RHS-GAX_decoy_scores.csv |
2RFH-23N | data/2R/2RFH-23N/2RFH-23N_ligand.pdbqt | data/2R/2RFH-23N/2RFH-23N_target.pdbqt | data/2R/2RFH-23N/2RFH-23N_decoys.pdbqt | data/2R/2RFH-23N/2RFH-23N_decoy_scores.csv |
2R5A-MLZ | data/2R/2R5A-MLZ/2R5A-MLZ_ligand.pdbqt | data/2R/2R5A-MLZ/2R5A-MLZ_target.pdbqt | data/2R/2R5A-MLZ/2R5A-MLZ_decoys.pdbqt | data/2R/2R5A-MLZ/2R5A-MLZ_decoy_scores.csv |
2RNT-GPG | data/2R/2RNT-GPG/2RNT-GPG_ligand.pdbqt | data/2R/2RNT-GPG/2RNT-GPG_target.pdbqt | data/2R/2RNT-GPG/2RNT-GPG_decoys.pdbqt | data/2R/2RNT-GPG/2RNT-GPG_decoy_scores.csv |
2RIE-293 | data/2R/2RIE-293/2RIE-293_ligand.pdbqt | data/2R/2RIE-293/2RIE-293_target.pdbqt | data/2R/2RIE-293/2RIE-293_decoys.pdbqt | data/2R/2RIE-293/2RIE-293_decoy_scores.csv |
2RI1-GLP | data/2R/2RI1-GLP/2RI1-GLP_ligand.pdbqt | data/2R/2RI1-GLP/2RI1-GLP_target.pdbqt | data/2R/2RI1-GLP/2RI1-GLP_decoys.pdbqt | data/2R/2RI1-GLP/2RI1-GLP_decoy_scores.csv |
2R14-FMN | data/2R/2R14-FMN/2R14-FMN_ligand.pdbqt | data/2R/2R14-FMN/2R14-FMN_target.pdbqt | data/2R/2R14-FMN/2R14-FMN_decoys.pdbqt | data/2R/2R14-FMN/2R14-FMN_decoy_scores.csv |
2RKV-MPO | data/2R/2RKV-MPO/2RKV-MPO_ligand.pdbqt | data/2R/2RKV-MPO/2RKV-MPO_target.pdbqt | data/2R/2RKV-MPO/2RKV-MPO_decoys.pdbqt | data/2R/2RKV-MPO/2RKV-MPO_decoy_scores.csv |
2RJ6-BHE | data/2R/2RJ6-BHE/2RJ6-BHE_ligand.pdbqt | data/2R/2RJ6-BHE/2RJ6-BHE_target.pdbqt | data/2R/2RJ6-BHE/2RJ6-BHE_decoys.pdbqt | data/2R/2RJ6-BHE/2RJ6-BHE_decoy_scores.csv |
2RH9-IGP | data/2R/2RH9-IGP/2RH9-IGP_ligand.pdbqt | data/2R/2RH9-IGP/2RH9-IGP_target.pdbqt | data/2R/2RH9-IGP/2RH9-IGP_decoys.pdbqt | data/2R/2RH9-IGP/2RH9-IGP_decoy_scores.csv |
2RAH-11P | data/2R/2RAH-11P/2RAH-11P_ligand.pdbqt | data/2R/2RAH-11P/2RAH-11P_target.pdbqt | data/2R/2RAH-11P/2RAH-11P_decoys.pdbqt | data/2R/2RAH-11P/2RAH-11P_decoy_scores.csv |
2RDE-C2E | data/2R/2RDE-C2E/2RDE-C2E_ligand.pdbqt | data/2R/2RDE-C2E/2RDE-C2E_target.pdbqt | data/2R/2RDE-C2E/2RDE-C2E_decoys.pdbqt | data/2R/2RDE-C2E/2RDE-C2E_decoy_scores.csv |
2RTR-IMI | data/2R/2RTR-IMI/2RTR-IMI_ligand.pdbqt | data/2R/2RTR-IMI/2RTR-IMI_target.pdbqt | data/2R/2RTR-IMI/2RTR-IMI_decoys.pdbqt | data/2R/2RTR-IMI/2RTR-IMI_decoy_scores.csv |
2R4F-RIE | data/2R/2R4F-RIE/2R4F-RIE_ligand.pdbqt | data/2R/2R4F-RIE/2R4F-RIE_target.pdbqt | data/2R/2R4F-RIE/2R4F-RIE_decoys.pdbqt | data/2R/2R4F-RIE/2R4F-RIE_decoy_scores.csv |
2R97-FMN | data/2R/2R97-FMN/2R97-FMN_ligand.pdbqt | data/2R/2R97-FMN/2R97-FMN_target.pdbqt | data/2R/2R97-FMN/2R97-FMN_decoys.pdbqt | data/2R/2R97-FMN/2R97-FMN_decoy_scores.csv |
2RTJ-GLL | data/2R/2RTJ-GLL/2RTJ-GLL_ligand.pdbqt | data/2R/2RTJ-GLL/2RTJ-GLL_target.pdbqt | data/2R/2RTJ-GLL/2RTJ-GLL_decoys.pdbqt | data/2R/2RTJ-GLL/2RTJ-GLL_decoy_scores.csv |
2RTQ-IMI | data/2R/2RTQ-IMI/2RTQ-IMI_ligand.pdbqt | data/2R/2RTQ-IMI/2RTQ-IMI_target.pdbqt | data/2R/2RTQ-IMI/2RTQ-IMI_decoys.pdbqt | data/2R/2RTQ-IMI/2RTQ-IMI_decoy_scores.csv |
2R5V-HHH | data/2R/2R5V-HHH/2R5V-HHH_ligand.pdbqt | data/2R/2R5V-HHH/2R5V-HHH_target.pdbqt | data/2R/2R5V-HHH/2R5V-HHH_decoys.pdbqt | data/2R/2R5V-HHH/2R5V-HHH_decoy_scores.csv |
2RIN-ACH | data/2R/2RIN-ACH/2RIN-ACH_ligand.pdbqt | data/2R/2RIN-ACH/2RIN-ACH_target.pdbqt | data/2R/2RIN-ACH/2RIN-ACH_decoys.pdbqt | data/2R/2RIN-ACH/2RIN-ACH_decoy_scores.csv |
2R7L-AMZ | data/2R/2R7L-AMZ/2R7L-AMZ_ligand.pdbqt | data/2R/2R7L-AMZ/2R7L-AMZ_target.pdbqt | data/2R/2R7L-AMZ/2R7L-AMZ_decoys.pdbqt | data/2R/2R7L-AMZ/2R7L-AMZ_decoy_scores.csv |
2RJ7-DA8 | data/2R/2RJ7-DA8/2RJ7-DA8_ligand.pdbqt | data/2R/2RJ7-DA8/2RJ7-DA8_target.pdbqt | data/2R/2RJ7-DA8/2RJ7-DA8_decoys.pdbqt | data/2R/2RJ7-DA8/2RJ7-DA8_decoy_scores.csv |
2R9O-Y15 | data/2R/2R9O-Y15/2R9O-Y15_ligand.pdbqt | data/2R/2R9O-Y15/2R9O-Y15_target.pdbqt | data/2R/2R9O-Y15/2R9O-Y15_decoys.pdbqt | data/2R/2R9O-Y15/2R9O-Y15_decoy_scores.csv |
2RBE-ZMG | data/2R/2RBE-ZMG/2RBE-ZMG_ligand.pdbqt | data/2R/2RBE-ZMG/2RBE-ZMG_target.pdbqt | data/2R/2RBE-ZMG/2RBE-ZMG_decoys.pdbqt | data/2R/2RBE-ZMG/2RBE-ZMG_decoy_scores.csv |
2RKI-TT1 | data/2R/2RKI-TT1/2RKI-TT1_ligand.pdbqt | data/2R/2RKI-TT1/2RKI-TT1_target.pdbqt | data/2R/2RKI-TT1/2RKI-TT1_decoys.pdbqt | data/2R/2RKI-TT1/2RKI-TT1_decoy_scores.csv |
2RJ8-BHE | data/2R/2RJ8-BHE/2RJ8-BHE_ligand.pdbqt | data/2R/2RJ8-BHE/2RJ8-BHE_target.pdbqt | data/2R/2RJ8-BHE/2RJ8-BHE_decoys.pdbqt | data/2R/2RJ8-BHE/2RJ8-BHE_decoy_scores.csv |
2R43-G3G | data/2R/2R43-G3G/2R43-G3G_ligand.pdbqt | data/2R/2R43-G3G/2R43-G3G_target.pdbqt | data/2R/2R43-G3G/2R43-G3G_decoys.pdbqt | data/2R/2R43-G3G/2R43-G3G_decoy_scores.csv |
2R9W-23C | data/2R/2R9W-23C/2R9W-23C_ligand.pdbqt | data/2R/2R9W-23C/2R9W-23C_target.pdbqt | data/2R/2R9W-23C/2R9W-23C_decoys.pdbqt | data/2R/2R9W-23C/2R9W-23C_decoy_scores.csv |
2R2N-PMP | data/2R/2R2N-PMP/2R2N-PMP_ligand.pdbqt | data/2R/2R2N-PMP/2R2N-PMP_target.pdbqt | data/2R/2R2N-PMP/2R2N-PMP_decoys.pdbqt | data/2R/2R2N-PMP/2R2N-PMP_decoy_scores.csv |
2RGG-GNP | data/2R/2RGG-GNP/2RGG-GNP_ligand.pdbqt | data/2R/2RGG-GNP/2RGG-GNP_target.pdbqt | data/2R/2RGG-GNP/2RGG-GNP_decoys.pdbqt | data/2R/2RGG-GNP/2RGG-GNP_decoy_scores.csv |
2R4E-T3A | data/2R/2R4E-T3A/2R4E-T3A_ligand.pdbqt | data/2R/2R4E-T3A/2R4E-T3A_target.pdbqt | data/2R/2R4E-T3A/2R4E-T3A_decoys.pdbqt | data/2R/2R4E-T3A/2R4E-T3A_decoy_scores.csv |
2R5P-MK1 | data/2R/2R5P-MK1/2R5P-MK1_ligand.pdbqt | data/2R/2R5P-MK1/2R5P-MK1_target.pdbqt | data/2R/2R5P-MK1/2R5P-MK1_decoys.pdbqt | data/2R/2R5P-MK1/2R5P-MK1_decoy_scores.csv |
2R4T-GLC | data/2R/2R4T-GLC/2R4T-GLC_ligand.pdbqt | data/2R/2R4T-GLC/2R4T-GLC_target.pdbqt | data/2R/2R4T-GLC/2R4T-GLC_decoys.pdbqt | data/2R/2R4T-GLC/2R4T-GLC_decoy_scores.csv |
2R64-740 | data/2R/2R64-740/2R64-740_ligand.pdbqt | data/2R/2R64-740/2R64-740_target.pdbqt | data/2R/2R64-740/2R64-740_decoys.pdbqt | data/2R/2R64-740/2R64-740_decoy_scores.csv |
2RBN-264 | data/2R/2RBN-264/2RBN-264_ligand.pdbqt | data/2R/2RBN-264/2RBN-264_target.pdbqt | data/2R/2RBN-264/2RBN-264_decoys.pdbqt | data/2R/2RBN-264/2RBN-264_decoy_scores.csv |
2RBS-269 | data/2R/2RBS-269/2RBS-269_ligand.pdbqt | data/2R/2RBS-269/2RBS-269_target.pdbqt | data/2R/2RBS-269/2RBS-269_decoys.pdbqt | data/2R/2RBS-269/2RBS-269_decoy_scores.csv |
2R0G-7CK | data/2R/2R0G-7CK/2R0G-7CK_ligand.pdbqt | data/2R/2R0G-7CK/2R0G-7CK_target.pdbqt | data/2R/2R0G-7CK/2R0G-7CK_decoys.pdbqt | data/2R/2R0G-7CK/2R0G-7CK_decoy_scores.csv |
2RHQ-GAX | data/2R/2RHQ-GAX/2RHQ-GAX_ligand.pdbqt | data/2R/2RHQ-GAX/2RHQ-GAX_target.pdbqt | data/2R/2RHQ-GAX/2RHQ-GAX_decoys.pdbqt | data/2R/2RHQ-GAX/2RHQ-GAX_decoy_scores.csv |
2R4E-13P | data/2R/2R4E-13P/2R4E-13P_ligand.pdbqt | data/2R/2R4E-13P/2R4E-13P_target.pdbqt | data/2R/2R4E-13P/2R4E-13P_decoys.pdbqt | data/2R/2R4E-13P/2R4E-13P_decoy_scores.csv |
2RJ7-GDU | data/2R/2RJ7-GDU/2RJ7-GDU_ligand.pdbqt | data/2R/2RJ7-GDU/2RJ7-GDU_target.pdbqt | data/2R/2RJ7-GDU/2RJ7-GDU_decoys.pdbqt | data/2R/2RJ7-GDU/2RJ7-GDU_decoy_scores.csv |
2RH6-AMP | data/2R/2RH6-AMP/2RH6-AMP_ligand.pdbqt | data/2R/2RH6-AMP/2RH6-AMP_target.pdbqt | data/2R/2RH6-AMP/2RH6-AMP_decoys.pdbqt | data/2R/2RH6-AMP/2RH6-AMP_decoy_scores.csv |
2RTH-GLL | data/2R/2RTH-GLL/2RTH-GLL_ligand.pdbqt | data/2R/2RTH-GLL/2RTH-GLL_target.pdbqt | data/2R/2RTH-GLL/2RTH-GLL_decoys.pdbqt | data/2R/2RTH-GLL/2RTH-GLL_decoy_scores.csv |
2R7K-AMZ | data/2R/2R7K-AMZ/2R7K-AMZ_ligand.pdbqt | data/2R/2R7K-AMZ/2R7K-AMZ_target.pdbqt | data/2R/2R7K-AMZ/2R7K-AMZ_decoys.pdbqt | data/2R/2R7K-AMZ/2R7K-AMZ_decoy_scores.csv |
2RTN-IMI | data/2R/2RTN-IMI/2RTN-IMI_ligand.pdbqt | data/2R/2RTN-IMI/2RTN-IMI_target.pdbqt | data/2R/2RTN-IMI/2RTN-IMI_decoys.pdbqt | data/2R/2RTN-IMI/2RTN-IMI_decoy_scores.csv |
2RHD-GDP | data/2R/2RHD-GDP/2RHD-GDP_ligand.pdbqt | data/2R/2RHD-GDP/2RHD-GDP_target.pdbqt | data/2R/2RHD-GDP/2RHD-GDP_decoys.pdbqt | data/2R/2RHD-GDP/2RHD-GDP_decoy_scores.csv |
2R9X-WH6 | data/2R/2R9X-WH6/2R9X-WH6_ligand.pdbqt | data/2R/2R9X-WH6/2R9X-WH6_target.pdbqt | data/2R/2R9X-WH6/2R9X-WH6_decoys.pdbqt | data/2R/2R9X-WH6/2R9X-WH6_decoy_scores.csv |
2R0T-PGU | data/2R/2R0T-PGU/2R0T-PGU_ligand.pdbqt | data/2R/2R0T-PGU/2R0T-PGU_target.pdbqt | data/2R/2R0T-PGU/2R0T-PGU_decoys.pdbqt | data/2R/2R0T-PGU/2R0T-PGU_decoy_scores.csv |
2R4T-ADP | data/2R/2R4T-ADP/2R4T-ADP_ligand.pdbqt | data/2R/2R4T-ADP/2R4T-ADP_target.pdbqt | data/2R/2R4T-ADP/2R4T-ADP_decoys.pdbqt | data/2R/2R4T-ADP/2R4T-ADP_decoy_scores.csv |
2R3N-SCZ | data/2R/2R3N-SCZ/2R3N-SCZ_ligand.pdbqt | data/2R/2R3N-SCZ/2R3N-SCZ_target.pdbqt | data/2R/2R3N-SCZ/2R3N-SCZ_decoys.pdbqt | data/2R/2R3N-SCZ/2R3N-SCZ_decoy_scores.csv |
2R4U-GLC | data/2R/2R4U-GLC/2R4U-GLC_ligand.pdbqt | data/2R/2R4U-GLC/2R4U-GLC_target.pdbqt | data/2R/2R4U-GLC/2R4U-GLC_decoys.pdbqt | data/2R/2R4U-GLC/2R4U-GLC_decoy_scores.csv |
2R8P-T6F | data/2R/2R8P-T6F/2R8P-T6F_ligand.pdbqt | data/2R/2R8P-T6F/2R8P-T6F_target.pdbqt | data/2R/2R8P-T6F/2R8P-T6F_decoys.pdbqt | data/2R/2R8P-T6F/2R8P-T6F_decoy_scores.csv |
2R0P-K2C | data/2R/2R0P-K2C/2R0P-K2C_ligand.pdbqt | data/2R/2R0P-K2C/2R0P-K2C_target.pdbqt | data/2R/2R0P-K2C/2R0P-K2C_decoys.pdbqt | data/2R/2R0P-K2C/2R0P-K2C_decoy_scores.csv |
2R59-PH0 | data/2R/2R59-PH0/2R59-PH0_ligand.pdbqt | data/2R/2R59-PH0/2R59-PH0_target.pdbqt | null | null |
2RKU-R78 | data/2R/2RKU-R78/2RKU-R78_ligand.pdbqt | data/2R/2RKU-R78/2RKU-R78_target.pdbqt | data/2R/2RKU-R78/2RKU-R78_decoys.pdbqt | data/2R/2RKU-R78/2RKU-R78_decoy_scores.csv |
2R8O-T5X | data/2R/2R8O-T5X/2R8O-T5X_ligand.pdbqt | data/2R/2R8O-T5X/2R8O-T5X_target.pdbqt | data/2R/2R8O-T5X/2R8O-T5X_decoys.pdbqt | data/2R/2R8O-T5X/2R8O-T5X_decoy_scores.csv |
2RBR-268 | data/2R/2RBR-268/2RBR-268_ligand.pdbqt | data/2R/2RBR-268/2RBR-268_target.pdbqt | data/2R/2RBR-268/2RBR-268_decoys.pdbqt | data/2R/2RBR-268/2RBR-268_decoy_scores.csv |
2RHX-MLY | data/2R/2RHX-MLY/2RHX-MLY_ligand.pdbqt | data/2R/2RHX-MLY/2RHX-MLY_target.pdbqt | data/2R/2RHX-MLY/2RHX-MLY_decoys.pdbqt | data/2R/2RHX-MLY/2RHX-MLY_decoy_scores.csv |
2R4U-ADP | data/2R/2R4U-ADP/2R4U-ADP_ligand.pdbqt | data/2R/2R4U-ADP/2R4U-ADP_target.pdbqt | data/2R/2R4U-ADP/2R4U-ADP_decoys.pdbqt | data/2R/2R4U-ADP/2R4U-ADP_decoy_scores.csv |
2R3R-6SC | data/2R/2R3R-6SC/2R3R-6SC_ligand.pdbqt | data/2R/2R3R-6SC/2R3R-6SC_target.pdbqt | data/2R/2R3R-6SC/2R3R-6SC_decoys.pdbqt | data/2R/2R3R-6SC/2R3R-6SC_decoy_scores.csv |
2RHY-MLZ | data/2R/2RHY-MLZ/2RHY-MLZ_ligand.pdbqt | data/2R/2RHY-MLZ/2RHY-MLZ_target.pdbqt | data/2R/2RHY-MLZ/2RHY-MLZ_decoys.pdbqt | data/2R/2RHY-MLZ/2RHY-MLZ_decoy_scores.csv |
2R45-2PG | data/2R/2R45-2PG/2R45-2PG_ligand.pdbqt | data/2R/2R45-2PG/2R45-2PG_target.pdbqt | data/2R/2R45-2PG/2R45-2PG_decoys.pdbqt | data/2R/2R45-2PG/2R45-2PG_decoy_scores.csv |
2R4J-BCN | data/2R/2R4J-BCN/2R4J-BCN_ligand.pdbqt | data/2R/2R4J-BCN/2R4J-BCN_target.pdbqt | data/2R/2R4J-BCN/2R4J-BCN_decoys.pdbqt | data/2R/2R4J-BCN/2R4J-BCN_decoy_scores.csv |
2RKM-LYS | data/2R/2RKM-LYS/2RKM-LYS_ligand.pdbqt | data/2R/2RKM-LYS/2RKM-LYS_target.pdbqt | data/2R/2RKM-LYS/2RKM-LYS_decoys.pdbqt | data/2R/2RKM-LYS/2RKM-LYS_decoy_scores.csv |
2R3A-SAM | data/2R/2R3A-SAM/2R3A-SAM_ligand.pdbqt | data/2R/2R3A-SAM/2R3A-SAM_target.pdbqt | data/2R/2R3A-SAM/2R3A-SAM_decoys.pdbqt | data/2R/2R3A-SAM/2R3A-SAM_decoy_scores.csv |
2RL2-UD1 | data/2R/2RL2-UD1/2RL2-UD1_ligand.pdbqt | data/2R/2RL2-UD1/2RL2-UD1_target.pdbqt | data/2R/2RL2-UD1/2RL2-UD1_decoys.pdbqt | data/2R/2RL2-UD1/2RL2-UD1_decoy_scores.csv |
2R58-MLY | data/2R/2R58-MLY/2R58-MLY_ligand.pdbqt | data/2R/2R58-MLY/2R58-MLY_target.pdbqt | data/2R/2R58-MLY/2R58-MLY_decoys.pdbqt | data/2R/2R58-MLY/2R58-MLY_decoy_scores.csv |
2R9S-255 | data/2R/2R9S-255/2R9S-255_ligand.pdbqt | data/2R/2R9S-255/2R9S-255_target.pdbqt | data/2R/2R9S-255/2R9S-255_decoys.pdbqt | data/2R/2R9S-255/2R9S-255_decoy_scores.csv |
2R3G-SC9 | data/2R/2R3G-SC9/2R3G-SC9_ligand.pdbqt | data/2R/2R3G-SC9/2R3G-SC9_target.pdbqt | data/2R/2R3G-SC9/2R3G-SC9_decoys.pdbqt | data/2R/2R3G-SC9/2R3G-SC9_decoy_scores.csv |
2RDN-1PL | data/2R/2RDN-1PL/2RDN-1PL_ligand.pdbqt | data/2R/2RDN-1PL/2RDN-1PL_target.pdbqt | data/2R/2RDN-1PL/2RDN-1PL_decoys.pdbqt | data/2R/2RDN-1PL/2RDN-1PL_decoy_scores.csv |
2R3K-SCQ | data/2R/2R3K-SCQ/2R3K-SCQ_ligand.pdbqt | data/2R/2R3K-SCQ/2R3K-SCQ_target.pdbqt | data/2R/2R3K-SCQ/2R3K-SCQ_decoys.pdbqt | data/2R/2R3K-SCQ/2R3K-SCQ_decoy_scores.csv |
2R6R-GDP | data/2R/2R6R-GDP/2R6R-GDP_ligand.pdbqt | data/2R/2R6R-GDP/2R6R-GDP_target.pdbqt | data/2R/2R6R-GDP/2R6R-GDP_decoys.pdbqt | data/2R/2R6R-GDP/2R6R-GDP_decoy_scores.csv |
2R5Q-1UN | data/2R/2R5Q-1UN/2R5Q-1UN_ligand.pdbqt | data/2R/2R5Q-1UN/2R5Q-1UN_target.pdbqt | data/2R/2R5Q-1UN/2R5Q-1UN_decoys.pdbqt | data/2R/2R5Q-1UN/2R5Q-1UN_decoy_scores.csv |
2R2W-4PG | data/2R/2R2W-4PG/2R2W-4PG_ligand.pdbqt | data/2R/2R2W-4PG/2R2W-4PG_target.pdbqt | data/2R/2R2W-4PG/2R2W-4PG_decoys.pdbqt | data/2R/2R2W-4PG/2R2W-4PG_decoy_scores.csv |
2RIA-289 | data/2R/2RIA-289/2RIA-289_ligand.pdbqt | data/2R/2RIA-289/2RIA-289_target.pdbqt | data/2R/2RIA-289/2RIA-289_decoys.pdbqt | data/2R/2RIA-289/2RIA-289_decoy_scores.csv |
2RHT-C1E | data/2R/2RHT-C1E/2RHT-C1E_ligand.pdbqt | data/2R/2RHT-C1E/2RHT-C1E_target.pdbqt | data/2R/2RHT-C1E/2RHT-C1E_decoys.pdbqt | data/2R/2RHT-C1E/2RHT-C1E_decoy_scores.csv |
2R7N-FAI | data/2R/2R7N-FAI/2R7N-FAI_ligand.pdbqt | data/2R/2R7N-FAI/2R7N-FAI_target.pdbqt | data/2R/2R7N-FAI/2R7N-FAI_decoys.pdbqt | data/2R/2R7N-FAI/2R7N-FAI_decoy_scores.csv |
2R09-4IP | data/2R/2R09-4IP/2R09-4IP_ligand.pdbqt | data/2R/2R09-4IP/2R09-4IP_target.pdbqt | data/2R/2R09-4IP/2R09-4IP_decoys.pdbqt | data/2R/2R09-4IP/2R09-4IP_decoy_scores.csv |
2RIO-ADP | data/2R/2RIO-ADP/2RIO-ADP_ligand.pdbqt | data/2R/2RIO-ADP/2RIO-ADP_target.pdbqt | null | null |
2RAZ-259 | data/2R/2RAZ-259/2RAZ-259_ligand.pdbqt | data/2R/2RAZ-259/2RAZ-259_target.pdbqt | data/2R/2RAZ-259/2RAZ-259_decoys.pdbqt | data/2R/2RAZ-259/2RAZ-259_decoy_scores.csv |
2R9V-ATP | data/2R/2R9V-ATP/2R9V-ATP_ligand.pdbqt | data/2R/2R9V-ATP/2R9V-ATP_target.pdbqt | data/2R/2R9V-ATP/2R9V-ATP_decoys.pdbqt | data/2R/2R9V-ATP/2R9V-ATP_decoy_scores.csv |
2RJ1-UDP | data/2R/2RJ1-UDP/2RJ1-UDP_ligand.pdbqt | data/2R/2RJ1-UDP/2RJ1-UDP_target.pdbqt | data/2R/2RJ1-UDP/2RJ1-UDP_decoys.pdbqt | data/2R/2RJ1-UDP/2RJ1-UDP_decoy_scores.csv |
2R3T-G4G | data/2R/2R3T-G4G/2R3T-G4G_ligand.pdbqt | data/2R/2R3T-G4G/2R3T-G4G_target.pdbqt | data/2R/2R3T-G4G/2R3T-G4G_decoys.pdbqt | data/2R/2R3T-G4G/2R3T-G4G_decoy_scores.csv |
2R3P-3SC | data/2R/2R3P-3SC/2R3P-3SC_ligand.pdbqt | data/2R/2R3P-3SC/2R3P-3SC_target.pdbqt | data/2R/2R3P-3SC/2R3P-3SC_decoys.pdbqt | data/2R/2R3P-3SC/2R3P-3SC_decoy_scores.csv |
2R5N-R5P | data/2R/2R5N-R5P/2R5N-R5P_ligand.pdbqt | data/2R/2R5N-R5P/2R5N-R5P_target.pdbqt | data/2R/2R5N-R5P/2R5N-R5P_decoys.pdbqt | data/2R/2R5N-R5P/2R5N-R5P_decoy_scores.csv |
2R7M-AMP | data/2R/2R7M-AMP/2R7M-AMP_ligand.pdbqt | data/2R/2R7M-AMP/2R7M-AMP_target.pdbqt | data/2R/2R7M-AMP/2R7M-AMP_decoys.pdbqt | data/2R/2R7M-AMP/2R7M-AMP_decoy_scores.csv |
2RCN-GDP | data/2R/2RCN-GDP/2RCN-GDP_ligand.pdbqt | data/2R/2RCN-GDP/2RCN-GDP_target.pdbqt | data/2R/2RCN-GDP/2RCN-GDP_decoys.pdbqt | data/2R/2RCN-GDP/2RCN-GDP_decoy_scores.csv |
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