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 ⌀ |
|---|---|---|---|---|
4OWG-PEP | data/4O/4OWG-PEP/4OWG-PEP_ligand.pdbqt | data/4O/4OWG-PEP/4OWG-PEP_target.pdbqt | data/4O/4OWG-PEP/4OWG-PEP_decoys.pdbqt | data/4O/4OWG-PEP/4OWG-PEP_decoy_scores.csv |
4OB6-S2T | data/4O/4OB6-S2T/4OB6-S2T_ligand.pdbqt | data/4O/4OB6-S2T/4OB6-S2T_target.pdbqt | data/4O/4OB6-S2T/4OB6-S2T_decoys.pdbqt | data/4O/4OB6-S2T/4OB6-S2T_decoy_scores.csv |
4O5M-PG5 | data/4O/4O5M-PG5/4O5M-PG5_ligand.pdbqt | data/4O/4O5M-PG5/4O5M-PG5_target.pdbqt | data/4O/4O5M-PG5/4O5M-PG5_decoys.pdbqt | data/4O/4O5M-PG5/4O5M-PG5_decoy_scores.csv |
4OAY-C2E | data/4O/4OAY-C2E/4OAY-C2E_ligand.pdbqt | data/4O/4OAY-C2E/4OAY-C2E_target.pdbqt | data/4O/4OAY-C2E/4OAY-C2E_decoys.pdbqt | data/4O/4OAY-C2E/4OAY-C2E_decoy_scores.csv |
4OVW-IN1 | data/4O/4OVW-IN1/4OVW-IN1_ligand.pdbqt | data/4O/4OVW-IN1/4OVW-IN1_target.pdbqt | data/4O/4OVW-IN1/4OVW-IN1_decoys.pdbqt | data/4O/4OVW-IN1/4OVW-IN1_decoy_scores.csv |
4OGJ-2TA | data/4O/4OGJ-2TA/4OGJ-2TA_ligand.pdbqt | data/4O/4OGJ-2TA/4OGJ-2TA_target.pdbqt | data/4O/4OGJ-2TA/4OGJ-2TA_decoys.pdbqt | data/4O/4OGJ-2TA/4OGJ-2TA_decoy_scores.csv |
4OWQ-3M0 | data/4O/4OWQ-3M0/4OWQ-3M0_ligand.pdbqt | data/4O/4OWQ-3M0/4OWQ-3M0_target.pdbqt | data/4O/4OWQ-3M0/4OWQ-3M0_decoys.pdbqt | data/4O/4OWQ-3M0/4OWQ-3M0_decoy_scores.csv |
4ORI-ORO | data/4O/4ORI-ORO/4ORI-ORO_ligand.pdbqt | data/4O/4ORI-ORO/4ORI-ORO_target.pdbqt | data/4O/4ORI-ORO/4ORI-ORO_decoys.pdbqt | data/4O/4ORI-ORO/4ORI-ORO_decoy_scores.csv |
4OPI-GRG | data/4O/4OPI-GRG/4OPI-GRG_ligand.pdbqt | data/4O/4OPI-GRG/4OPI-GRG_target.pdbqt | data/4O/4OPI-GRG/4OPI-GRG_decoys.pdbqt | data/4O/4OPI-GRG/4OPI-GRG_decoy_scores.csv |
4OAK-PE3 | data/4O/4OAK-PE3/4OAK-PE3_ligand.pdbqt | data/4O/4OAK-PE3/4OAK-PE3_target.pdbqt | data/4O/4OAK-PE3/4OAK-PE3_decoys.pdbqt | data/4O/4OAK-PE3/4OAK-PE3_decoy_scores.csv |
4O70-1QK | data/4O/4O70-1QK/4O70-1QK_ligand.pdbqt | data/4O/4O70-1QK/4O70-1QK_target.pdbqt | data/4O/4O70-1QK/4O70-1QK_decoys.pdbqt | data/4O/4O70-1QK/4O70-1QK_decoy_scores.csv |
4OP2-S6P | data/4O/4OP2-S6P/4OP2-S6P_ligand.pdbqt | data/4O/4OP2-S6P/4OP2-S6P_target.pdbqt | data/4O/4OP2-S6P/4OP2-S6P_decoys.pdbqt | data/4O/4OP2-S6P/4OP2-S6P_decoy_scores.csv |
4OWU-PRP | data/4O/4OWU-PRP/4OWU-PRP_ligand.pdbqt | data/4O/4OWU-PRP/4OWU-PRP_target.pdbqt | data/4O/4OWU-PRP/4OWU-PRP_decoys.pdbqt | data/4O/4OWU-PRP/4OWU-PRP_decoy_scores.csv |
4O0X-2OQ | data/4O/4O0X-2OQ/4O0X-2OQ_ligand.pdbqt | data/4O/4O0X-2OQ/4O0X-2OQ_target.pdbqt | data/4O/4O0X-2OQ/4O0X-2OQ_decoys.pdbqt | data/4O/4O0X-2OQ/4O0X-2OQ_decoy_scores.csv |
4OWM-PRP | data/4O/4OWM-PRP/4OWM-PRP_ligand.pdbqt | data/4O/4OWM-PRP/4OWM-PRP_target.pdbqt | data/4O/4OWM-PRP/4OWM-PRP_decoys.pdbqt | data/4O/4OWM-PRP/4OWM-PRP_decoy_scores.csv |
4OCV-ANP | data/4O/4OCV-ANP/4OCV-ANP_ligand.pdbqt | data/4O/4OCV-ANP/4OCV-ANP_target.pdbqt | data/4O/4OCV-ANP/4OCV-ANP_decoys.pdbqt | data/4O/4OCV-ANP/4OCV-ANP_decoy_scores.csv |
4O7C-2RK | data/4O/4O7C-2RK/4O7C-2RK_ligand.pdbqt | data/4O/4O7C-2RK/4O7C-2RK_target.pdbqt | data/4O/4O7C-2RK/4O7C-2RK_decoys.pdbqt | data/4O/4O7C-2RK/4O7C-2RK_decoy_scores.csv |
4OCP-GN1 | data/4O/4OCP-GN1/4OCP-GN1_ligand.pdbqt | data/4O/4OCP-GN1/4OCP-GN1_target.pdbqt | data/4O/4OCP-GN1/4OCP-GN1_decoys.pdbqt | data/4O/4OCP-GN1/4OCP-GN1_decoy_scores.csv |
4O5F-PAU | data/4O/4O5F-PAU/4O5F-PAU_ligand.pdbqt | data/4O/4O5F-PAU/4O5F-PAU_target.pdbqt | data/4O/4O5F-PAU/4O5F-PAU_decoys.pdbqt | data/4O/4O5F-PAU/4O5F-PAU_decoy_scores.csv |
4OXK-2NV | data/4O/4OXK-2NV/4OXK-2NV_ligand.pdbqt | data/4O/4OXK-2NV/4OXK-2NV_target.pdbqt | data/4O/4OXK-2NV/4OXK-2NV_decoys.pdbqt | data/4O/4OXK-2NV/4OXK-2NV_decoy_scores.csv |
4OYQ-1X2 | data/4O/4OYQ-1X2/4OYQ-1X2_ligand.pdbqt | data/4O/4OYQ-1X2/4OYQ-1X2_target.pdbqt | data/4O/4OYQ-1X2/4OYQ-1X2_decoys.pdbqt | data/4O/4OYQ-1X2/4OYQ-1X2_decoy_scores.csv |
4OMR-BEN | data/4O/4OMR-BEN/4OMR-BEN_ligand.pdbqt | data/4O/4OMR-BEN/4OMR-BEN_target.pdbqt | data/4O/4OMR-BEN/4OMR-BEN_decoys.pdbqt | data/4O/4OMR-BEN/4OMR-BEN_decoy_scores.csv |
4OEL-TYR | data/4O/4OEL-TYR/4OEL-TYR_ligand.pdbqt | data/4O/4OEL-TYR/4OEL-TYR_target.pdbqt | data/4O/4OEL-TYR/4OEL-TYR_decoys.pdbqt | data/4O/4OEL-TYR/4OEL-TYR_decoy_scores.csv |
4OAZ-C2E | data/4O/4OAZ-C2E/4OAZ-C2E_ligand.pdbqt | data/4O/4OAZ-C2E/4OAZ-C2E_target.pdbqt | data/4O/4OAZ-C2E/4OAZ-C2E_decoys.pdbqt | data/4O/4OAZ-C2E/4OAZ-C2E_decoy_scores.csv |
4OSP-2V4 | data/4O/4OSP-2V4/4OSP-2V4_ligand.pdbqt | data/4O/4OSP-2V4/4OSP-2V4_target.pdbqt | data/4O/4OSP-2V4/4OSP-2V4_decoys.pdbqt | data/4O/4OSP-2V4/4OSP-2V4_decoy_scores.csv |
4OEU-HIS | data/4O/4OEU-HIS/4OEU-HIS_ligand.pdbqt | data/4O/4OEU-HIS/4OEU-HIS_target.pdbqt | data/4O/4OEU-HIS/4OEU-HIS_decoys.pdbqt | data/4O/4OEU-HIS/4OEU-HIS_decoy_scores.csv |
4O1F-THG | data/4O/4O1F-THG/4O1F-THG_ligand.pdbqt | data/4O/4O1F-THG/4O1F-THG_target.pdbqt | data/4O/4O1F-THG/4O1F-THG_decoys.pdbqt | data/4O/4O1F-THG/4O1F-THG_decoy_scores.csv |
4OVF-2VG | data/4O/4OVF-2VG/4OVF-2VG_ligand.pdbqt | data/4O/4OVF-2VG/4OVF-2VG_target.pdbqt | data/4O/4OVF-2VG/4OVF-2VG_decoys.pdbqt | data/4O/4OVF-2VG/4OVF-2VG_decoy_scores.csv |
4OKE-AMP | data/4O/4OKE-AMP/4OKE-AMP_ligand.pdbqt | data/4O/4OKE-AMP/4OKE-AMP_target.pdbqt | data/4O/4OKE-AMP/4OKE-AMP_decoys.pdbqt | data/4O/4OKE-AMP/4OKE-AMP_decoy_scores.csv |
4O8Z-BBI | data/4O/4O8Z-BBI/4O8Z-BBI_ligand.pdbqt | data/4O/4O8Z-BBI/4O8Z-BBI_target.pdbqt | data/4O/4O8Z-BBI/4O8Z-BBI_decoys.pdbqt | data/4O/4O8Z-BBI/4O8Z-BBI_decoy_scores.csv |
4O12-2QG | data/4O/4O12-2QG/4O12-2QG_ligand.pdbqt | data/4O/4O12-2QG/4O12-2QG_target.pdbqt | data/4O/4O12-2QG/4O12-2QG_decoys.pdbqt | data/4O/4O12-2QG/4O12-2QG_decoy_scores.csv |
4OTF-2VL | data/4O/4OTF-2VL/4OTF-2VL_ligand.pdbqt | data/4O/4OTF-2VL/4OTF-2VL_target.pdbqt | data/4O/4OTF-2VL/4OTF-2VL_decoys.pdbqt | data/4O/4OTF-2VL/4OTF-2VL_decoy_scores.csv |
4OR6-GDP | data/4O/4OR6-GDP/4OR6-GDP_ligand.pdbqt | data/4O/4OR6-GDP/4OR6-GDP_target.pdbqt | data/4O/4OR6-GDP/4OR6-GDP_decoys.pdbqt | data/4O/4OR6-GDP/4OR6-GDP_decoy_scores.csv |
4O4I-GDP | data/4O/4O4I-GDP/4O4I-GDP_ligand.pdbqt | data/4O/4O4I-GDP/4O4I-GDP_target.pdbqt | data/4O/4O4I-GDP/4O4I-GDP_decoys.pdbqt | data/4O/4O4I-GDP/4O4I-GDP_decoy_scores.csv |
4O72-2R4 | data/4O/4O72-2R4/4O72-2R4_ligand.pdbqt | data/4O/4O72-2R4/4O72-2R4_target.pdbqt | data/4O/4O72-2R4/4O72-2R4_decoys.pdbqt | data/4O/4O72-2R4/4O72-2R4_decoy_scores.csv |
4O43-2PW | data/4O/4O43-2PW/4O43-2PW_ligand.pdbqt | data/4O/4O43-2PW/4O43-2PW_target.pdbqt | data/4O/4O43-2PW/4O43-2PW_decoys.pdbqt | data/4O/4O43-2PW/4O43-2PW_decoy_scores.csv |
4O4D-I3P | data/4O/4O4D-I3P/4O4D-I3P_ligand.pdbqt | data/4O/4O4D-I3P/4O4D-I3P_target.pdbqt | data/4O/4O4D-I3P/4O4D-I3P_decoys.pdbqt | data/4O/4O4D-I3P/4O4D-I3P_decoy_scores.csv |
4OHP-S6P | data/4O/4OHP-S6P/4OHP-S6P_ligand.pdbqt | data/4O/4OHP-S6P/4OHP-S6P_target.pdbqt | data/4O/4OHP-S6P/4OHP-S6P_decoys.pdbqt | data/4O/4OHP-S6P/4OHP-S6P_decoy_scores.csv |
4O11-BMP | data/4O/4O11-BMP/4O11-BMP_ligand.pdbqt | data/4O/4O11-BMP/4O11-BMP_target.pdbqt | data/4O/4O11-BMP/4O11-BMP_decoys.pdbqt | data/4O/4O11-BMP/4O11-BMP_decoy_scores.csv |
4O1E-C2F | data/4O/4O1E-C2F/4O1E-C2F_ligand.pdbqt | data/4O/4O1E-C2F/4O1E-C2F_target.pdbqt | data/4O/4O1E-C2F/4O1E-C2F_decoys.pdbqt | data/4O/4O1E-C2F/4O1E-C2F_decoy_scores.csv |
4OA5-SAH | data/4O/4OA5-SAH/4OA5-SAH_ligand.pdbqt | data/4O/4OA5-SAH/4OA5-SAH_target.pdbqt | data/4O/4OA5-SAH/4OA5-SAH_decoys.pdbqt | data/4O/4OA5-SAH/4OA5-SAH_decoy_scores.csv |
4OYN-BCN | data/4O/4OYN-BCN/4OYN-BCN_ligand.pdbqt | data/4O/4OYN-BCN/4OYN-BCN_target.pdbqt | data/4O/4OYN-BCN/4OYN-BCN_decoys.pdbqt | data/4O/4OYN-BCN/4OYN-BCN_decoy_scores.csv |
4OQP-PED | data/4O/4OQP-PED/4OQP-PED_ligand.pdbqt | data/4O/4OQP-PED/4OQP-PED_target.pdbqt | data/4O/4OQP-PED/4OQP-PED_decoys.pdbqt | data/4O/4OQP-PED/4OQP-PED_decoy_scores.csv |
4OPN-ZBF | data/4O/4OPN-ZBF/4OPN-ZBF_ligand.pdbqt | data/4O/4OPN-ZBF/4OPN-ZBF_target.pdbqt | data/4O/4OPN-ZBF/4OPN-ZBF_decoys.pdbqt | data/4O/4OPN-ZBF/4OPN-ZBF_decoy_scores.csv |
4O2L-GTP | data/4O/4O2L-GTP/4O2L-GTP_ligand.pdbqt | data/4O/4O2L-GTP/4O2L-GTP_target.pdbqt | data/4O/4O2L-GTP/4O2L-GTP_decoys.pdbqt | data/4O/4O2L-GTP/4O2L-GTP_decoy_scores.csv |
4O2B-LOC | data/4O/4O2B-LOC/4O2B-LOC_ligand.pdbqt | data/4O/4O2B-LOC/4O2B-LOC_target.pdbqt | data/4O/4O2B-LOC/4O2B-LOC_decoys.pdbqt | data/4O/4O2B-LOC/4O2B-LOC_decoy_scores.csv |
4OR4-M7G | data/4O/4OR4-M7G/4OR4-M7G_ligand.pdbqt | data/4O/4OR4-M7G/4OR4-M7G_target.pdbqt | data/4O/4OR4-M7G/4OR4-M7G_decoys.pdbqt | data/4O/4OR4-M7G/4OR4-M7G_decoy_scores.csv |
4OJQ-2SX | data/4O/4OJQ-2SX/4OJQ-2SX_ligand.pdbqt | data/4O/4OJQ-2SX/4OJQ-2SX_target.pdbqt | data/4O/4OJQ-2SX/4OJQ-2SX_decoys.pdbqt | data/4O/4OJQ-2SX/4OJQ-2SX_decoy_scores.csv |
4OTS-ATP | data/4O/4OTS-ATP/4OTS-ATP_ligand.pdbqt | data/4O/4OTS-ATP/4OTS-ATP_target.pdbqt | data/4O/4OTS-ATP/4OTS-ATP_decoys.pdbqt | data/4O/4OTS-ATP/4OTS-ATP_decoy_scores.csv |
4O81-ADP | data/4O/4O81-ADP/4O81-ADP_ligand.pdbqt | data/4O/4O81-ADP/4O81-ADP_target.pdbqt | data/4O/4O81-ADP/4O81-ADP_decoys.pdbqt | data/4O/4O81-ADP/4O81-ADP_decoy_scores.csv |
4ORE-OAS | data/4O/4ORE-OAS/4ORE-OAS_ligand.pdbqt | data/4O/4ORE-OAS/4ORE-OAS_target.pdbqt | data/4O/4ORE-OAS/4ORE-OAS_decoys.pdbqt | data/4O/4ORE-OAS/4ORE-OAS_decoy_scores.csv |
4O08-PO6 | data/4O/4O08-PO6/4O08-PO6_ligand.pdbqt | data/4O/4O08-PO6/4O08-PO6_target.pdbqt | data/4O/4O08-PO6/4O08-PO6_decoys.pdbqt | data/4O/4O08-PO6/4O08-PO6_decoy_scores.csv |
4OSF-4MT | data/4O/4OSF-4MT/4OSF-4MT_ligand.pdbqt | data/4O/4OSF-4MT/4OSF-4MT_target.pdbqt | data/4O/4OSF-4MT/4OSF-4MT_decoys.pdbqt | data/4O/4OSF-4MT/4OSF-4MT_decoy_scores.csv |
4OXX-FMN | data/4O/4OXX-FMN/4OXX-FMN_ligand.pdbqt | data/4O/4OXX-FMN/4OXX-FMN_target.pdbqt | data/4O/4OXX-FMN/4OXX-FMN_decoys.pdbqt | data/4O/4OXX-FMN/4OXX-FMN_decoy_scores.csv |
4O2A-GTP | data/4O/4O2A-GTP/4O2A-GTP_ligand.pdbqt | data/4O/4O2A-GTP/4O2A-GTP_target.pdbqt | data/4O/4O2A-GTP/4O2A-GTP_decoys.pdbqt | data/4O/4O2A-GTP/4O2A-GTP_decoy_scores.csv |
4ODJ-SAM | data/4O/4ODJ-SAM/4ODJ-SAM_ligand.pdbqt | data/4O/4ODJ-SAM/4ODJ-SAM_target.pdbqt | data/4O/4ODJ-SAM/4ODJ-SAM_decoys.pdbqt | data/4O/4ODJ-SAM/4ODJ-SAM_decoy_scores.csv |
4O82-ADP | data/4O/4O82-ADP/4O82-ADP_ligand.pdbqt | data/4O/4O82-ADP/4O82-ADP_target.pdbqt | data/4O/4O82-ADP/4O82-ADP_decoys.pdbqt | data/4O/4O82-ADP/4O82-ADP_decoy_scores.csv |
4OMK-SQL | data/4O/4OMK-SQL/4OMK-SQL_ligand.pdbqt | data/4O/4OMK-SQL/4OMK-SQL_target.pdbqt | data/4O/4OMK-SQL/4OMK-SQL_decoys.pdbqt | data/4O/4OMK-SQL/4OMK-SQL_decoy_scores.csv |
4OKG-2SZ | data/4O/4OKG-2SZ/4OKG-2SZ_ligand.pdbqt | data/4O/4OKG-2SZ/4OKG-2SZ_target.pdbqt | data/4O/4OKG-2SZ/4OKG-2SZ_decoys.pdbqt | data/4O/4OKG-2SZ/4OKG-2SZ_decoy_scores.csv |
4OMH-CXS | data/4O/4OMH-CXS/4OMH-CXS_ligand.pdbqt | data/4O/4OMH-CXS/4OMH-CXS_target.pdbqt | data/4O/4OMH-CXS/4OMH-CXS_decoys.pdbqt | data/4O/4OMH-CXS/4OMH-CXS_decoy_scores.csv |
4OQ6-2UV | data/4O/4OQ6-2UV/4OQ6-2UV_ligand.pdbqt | data/4O/4OQ6-2UV/4OQ6-2UV_target.pdbqt | data/4O/4OQ6-2UV/4OQ6-2UV_decoys.pdbqt | data/4O/4OQ6-2UV/4OQ6-2UV_decoy_scores.csv |
4O9G-T46 | data/4O/4O9G-T46/4O9G-T46_ligand.pdbqt | data/4O/4O9G-T46/4O9G-T46_target.pdbqt | data/4O/4O9G-T46/4O9G-T46_decoys.pdbqt | data/4O/4O9G-T46/4O9G-T46_decoy_scores.csv |
4OKQ-HIS | data/4O/4OKQ-HIS/4OKQ-HIS_ligand.pdbqt | data/4O/4OKQ-HIS/4OKQ-HIS_target.pdbqt | data/4O/4OKQ-HIS/4OKQ-HIS_decoys.pdbqt | data/4O/4OKQ-HIS/4OKQ-HIS_decoy_scores.csv |
4OG7-2SE | data/4O/4OG7-2SE/4OG7-2SE_ligand.pdbqt | data/4O/4OG7-2SE/4OG7-2SE_target.pdbqt | data/4O/4OG7-2SE/4OG7-2SE_decoys.pdbqt | data/4O/4OG7-2SE/4OG7-2SE_decoy_scores.csv |
4OUM-FLC | data/4O/4OUM-FLC/4OUM-FLC_ligand.pdbqt | data/4O/4OUM-FLC/4OUM-FLC_target.pdbqt | data/4O/4OUM-FLC/4OUM-FLC_decoys.pdbqt | data/4O/4OUM-FLC/4OUM-FLC_decoy_scores.csv |
4OVH-2VE | data/4O/4OVH-2VE/4OVH-2VE_ligand.pdbqt | data/4O/4OVH-2VE/4OVH-2VE_target.pdbqt | data/4O/4OVH-2VE/4OVH-2VE_decoys.pdbqt | data/4O/4OVH-2VE/4OVH-2VE_decoy_scores.csv |
4O2B-GDP | data/4O/4O2B-GDP/4O2B-GDP_ligand.pdbqt | data/4O/4O2B-GDP/4O2B-GDP_target.pdbqt | data/4O/4O2B-GDP/4O2B-GDP_decoys.pdbqt | data/4O/4O2B-GDP/4O2B-GDP_decoy_scores.csv |
4OU1-2V7 | data/4O/4OU1-2V7/4OU1-2V7_ligand.pdbqt | data/4O/4OU1-2V7/4OU1-2V7_target.pdbqt | data/4O/4OU1-2V7/4OU1-2V7_decoys.pdbqt | data/4O/4OU1-2V7/4OU1-2V7_decoy_scores.csv |
4O7Z-5GP | data/4O/4O7Z-5GP/4O7Z-5GP_ligand.pdbqt | data/4O/4O7Z-5GP/4O7Z-5GP_target.pdbqt | data/4O/4O7Z-5GP/4O7Z-5GP_decoys.pdbqt | data/4O/4O7Z-5GP/4O7Z-5GP_decoy_scores.csv |
4O78-SAV | data/4O/4O78-SAV/4O78-SAV_ligand.pdbqt | data/4O/4O78-SAV/4O78-SAV_target.pdbqt | data/4O/4O78-SAV/4O78-SAV_decoys.pdbqt | data/4O/4O78-SAV/4O78-SAV_decoy_scores.csv |
4OW0-S88 | data/4O/4OW0-S88/4OW0-S88_ligand.pdbqt | data/4O/4OW0-S88/4OW0-S88_target.pdbqt | data/4O/4OW0-S88/4OW0-S88_decoys.pdbqt | data/4O/4OW0-S88/4OW0-S88_decoy_scores.csv |
4OQR-2UO | data/4O/4OQR-2UO/4OQR-2UO_ligand.pdbqt | data/4O/4OQR-2UO/4OQR-2UO_target.pdbqt | data/4O/4OQR-2UO/4OQR-2UO_decoys.pdbqt | data/4O/4OQR-2UO/4OQR-2UO_decoy_scores.csv |
4OWN-PRP | data/4O/4OWN-PRP/4OWN-PRP_ligand.pdbqt | data/4O/4OWN-PRP/4OWN-PRP_target.pdbqt | data/4O/4OWN-PRP/4OWN-PRP_decoys.pdbqt | data/4O/4OWN-PRP/4OWN-PRP_decoy_scores.csv |
4O55-LF9 | data/4O/4O55-LF9/4O55-LF9_ligand.pdbqt | data/4O/4O55-LF9/4O55-LF9_target.pdbqt | null | null |
4O28-1QS | data/4O/4O28-1QS/4O28-1QS_ligand.pdbqt | data/4O/4O28-1QS/4O28-1QS_target.pdbqt | data/4O/4O28-1QS/4O28-1QS_decoys.pdbqt | data/4O/4O28-1QS/4O28-1QS_decoy_scores.csv |
4O7W-ATP | data/4O/4O7W-ATP/4O7W-ATP_ligand.pdbqt | data/4O/4O7W-ATP/4O7W-ATP_target.pdbqt | data/4O/4O7W-ATP/4O7W-ATP_decoys.pdbqt | data/4O/4O7W-ATP/4O7W-ATP_decoy_scores.csv |
4O6M-C5P | data/4O/4O6M-C5P/4O6M-C5P_ligand.pdbqt | data/4O/4O6M-C5P/4O6M-C5P_target.pdbqt | data/4O/4O6M-C5P/4O6M-C5P_decoys.pdbqt | data/4O/4O6M-C5P/4O6M-C5P_decoy_scores.csv |
4O7E-2RN | data/4O/4O7E-2RN/4O7E-2RN_ligand.pdbqt | data/4O/4O7E-2RN/4O7E-2RN_target.pdbqt | data/4O/4O7E-2RN/4O7E-2RN_decoys.pdbqt | data/4O/4O7E-2RN/4O7E-2RN_decoy_scores.csv |
4OUK-C63 | data/4O/4OUK-C63/4OUK-C63_ligand.pdbqt | data/4O/4OUK-C63/4OUK-C63_target.pdbqt | data/4O/4OUK-C63/4OUK-C63_decoys.pdbqt | data/4O/4OUK-C63/4OUK-C63_decoy_scores.csv |
4OYT-1W9 | data/4O/4OYT-1W9/4OYT-1W9_ligand.pdbqt | data/4O/4OYT-1W9/4OYT-1W9_target.pdbqt | data/4O/4OYT-1W9/4OYT-1W9_decoys.pdbqt | data/4O/4OYT-1W9/4OYT-1W9_decoy_scores.csv |
4OHP-2TJ | data/4O/4OHP-2TJ/4OHP-2TJ_ligand.pdbqt | data/4O/4OHP-2TJ/4OHP-2TJ_target.pdbqt | data/4O/4OHP-2TJ/4OHP-2TJ_decoys.pdbqt | data/4O/4OHP-2TJ/4OHP-2TJ_decoy_scores.csv |
4OGK-THM | data/4O/4OGK-THM/4OGK-THM_ligand.pdbqt | data/4O/4OGK-THM/4OGK-THM_target.pdbqt | data/4O/4OGK-THM/4OGK-THM_decoys.pdbqt | data/4O/4OGK-THM/4OGK-THM_decoy_scores.csv |
4OQE-SAH | data/4O/4OQE-SAH/4OQE-SAH_ligand.pdbqt | data/4O/4OQE-SAH/4OQE-SAH_target.pdbqt | data/4O/4OQE-SAH/4OQE-SAH_decoys.pdbqt | data/4O/4OQE-SAH/4OQE-SAH_decoy_scores.csv |
4OYA-1VE | data/4O/4OYA-1VE/4OYA-1VE_ligand.pdbqt | data/4O/4OYA-1VE/4OYA-1VE_target.pdbqt | data/4O/4OYA-1VE/4OYA-1VE_decoys.pdbqt | data/4O/4OYA-1VE/4OYA-1VE_decoy_scores.csv |
4O9G-4TD | data/4O/4O9G-4TD/4O9G-4TD_ligand.pdbqt | data/4O/4O9G-4TD/4O9G-4TD_target.pdbqt | data/4O/4O9G-4TD/4O9G-4TD_decoys.pdbqt | data/4O/4O9G-4TD/4O9G-4TD_decoy_scores.csv |
4OP2-2UX | data/4O/4OP2-2UX/4OP2-2UX_ligand.pdbqt | data/4O/4OP2-2UX/4OP2-2UX_target.pdbqt | data/4O/4OP2-2UX/4OP2-2UX_decoys.pdbqt | data/4O/4OP2-2UX/4OP2-2UX_decoy_scores.csv |
4OG5-2S7 | data/4O/4OG5-2S7/4OG5-2S7_ligand.pdbqt | data/4O/4OG5-2S7/4OG5-2S7_target.pdbqt | data/4O/4OG5-2S7/4OG5-2S7_decoys.pdbqt | data/4O/4OG5-2S7/4OG5-2S7_decoy_scores.csv |
4ONY-P4G | data/4O/4ONY-P4G/4ONY-P4G_ligand.pdbqt | data/4O/4ONY-P4G/4ONY-P4G_target.pdbqt | data/4O/4ONY-P4G/4ONY-P4G_decoys.pdbqt | data/4O/4ONY-P4G/4ONY-P4G_decoy_scores.csv |
4O7S-TYD | data/4O/4O7S-TYD/4O7S-TYD_ligand.pdbqt | data/4O/4O7S-TYD/4O7S-TYD_target.pdbqt | data/4O/4O7S-TYD/4O7S-TYD_decoys.pdbqt | data/4O/4O7S-TYD/4O7S-TYD_decoy_scores.csv |
4OQM-FDU | data/4O/4OQM-FDU/4OQM-FDU_ligand.pdbqt | data/4O/4OQM-FDU/4OQM-FDU_target.pdbqt | data/4O/4OQM-FDU/4OQM-FDU_decoys.pdbqt | data/4O/4OQM-FDU/4OQM-FDU_decoy_scores.csv |
4OQ3-2V8 | data/4O/4OQ3-2V8/4OQ3-2V8_ligand.pdbqt | data/4O/4OQ3-2V8/4OQ3-2V8_target.pdbqt | data/4O/4OQ3-2V8/4OQ3-2V8_decoys.pdbqt | data/4O/4OQ3-2V8/4OQ3-2V8_decoy_scores.csv |
4OQX-EDV | data/4O/4OQX-EDV/4OQX-EDV_ligand.pdbqt | data/4O/4OQX-EDV/4OQX-EDV_target.pdbqt | data/4O/4OQX-EDV/4OQX-EDV_decoys.pdbqt | data/4O/4OQX-EDV/4OQX-EDV_decoy_scores.csv |
4O8N-P6G | data/4O/4O8N-P6G/4O8N-P6G_ligand.pdbqt | data/4O/4O8N-P6G/4O8N-P6G_target.pdbqt | data/4O/4O8N-P6G/4O8N-P6G_decoys.pdbqt | data/4O/4O8N-P6G/4O8N-P6G_decoy_scores.csv |
4O0Z-2RM | data/4O/4O0Z-2RM/4O0Z-2RM_ligand.pdbqt | data/4O/4O0Z-2RM/4O0Z-2RM_target.pdbqt | data/4O/4O0Z-2RM/4O0Z-2RM_decoys.pdbqt | data/4O/4O0Z-2RM/4O0Z-2RM_decoy_scores.csv |
4OEM-LYS | data/4O/4OEM-LYS/4OEM-LYS_ligand.pdbqt | data/4O/4OEM-LYS/4OEM-LYS_target.pdbqt | data/4O/4OEM-LYS/4OEM-LYS_decoys.pdbqt | data/4O/4OEM-LYS/4OEM-LYS_decoy_scores.csv |
4OGN-2U5 | data/4O/4OGN-2U5/4OGN-2U5_ligand.pdbqt | data/4O/4OGN-2U5/4OGN-2U5_target.pdbqt | data/4O/4OGN-2U5/4OGN-2U5_decoys.pdbqt | data/4O/4OGN-2U5/4OGN-2U5_decoy_scores.csv |
4OZV-BEM | data/4O/4OZV-BEM/4OZV-BEM_ligand.pdbqt | data/4O/4OZV-BEM/4OZV-BEM_target.pdbqt | data/4O/4OZV-BEM/4OZV-BEM_decoys.pdbqt | data/4O/4OZV-BEM/4OZV-BEM_decoy_scores.csv |
4OUG-PLM | data/4O/4OUG-PLM/4OUG-PLM_ligand.pdbqt | data/4O/4OUG-PLM/4OUG-PLM_target.pdbqt | data/4O/4OUG-PLM/4OUG-PLM_decoys.pdbqt | data/4O/4OUG-PLM/4OUG-PLM_decoy_scores.csv |
4OTS-GTP | data/4O/4OTS-GTP/4OTS-GTP_ligand.pdbqt | data/4O/4OTS-GTP/4OTS-GTP_target.pdbqt | data/4O/4OTS-GTP/4OTS-GTP_decoys.pdbqt | data/4O/4OTS-GTP/4OTS-GTP_decoy_scores.csv |
4OK9-HIS | data/4O/4OK9-HIS/4OK9-HIS_ligand.pdbqt | data/4O/4OK9-HIS/4OK9-HIS_target.pdbqt | data/4O/4OK9-HIS/4OK9-HIS_decoys.pdbqt | data/4O/4OK9-HIS/4OK9-HIS_decoy_scores.csv |
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