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 ⌀ |
|---|---|---|---|---|
5E0J-5LJ | data/5E/5E0J-5LJ/5E0J-5LJ_ligand.pdbqt | data/5E/5E0J-5LJ/5E0J-5LJ_target.pdbqt | data/5E/5E0J-5LJ/5E0J-5LJ_decoys.pdbqt | data/5E/5E0J-5LJ/5E0J-5LJ_decoy_scores.csv |
5EGS-5NR | data/5E/5EGS-5NR/5EGS-5NR_ligand.pdbqt | data/5E/5EGS-5NR/5EGS-5NR_target.pdbqt | data/5E/5EGS-5NR/5EGS-5NR_decoys.pdbqt | data/5E/5EGS-5NR/5EGS-5NR_decoy_scores.csv |
5ENM-5QU | data/5E/5ENM-5QU/5ENM-5QU_ligand.pdbqt | data/5E/5ENM-5QU/5ENM-5QU_target.pdbqt | data/5E/5ENM-5QU/5ENM-5QU_decoys.pdbqt | data/5E/5ENM-5QU/5ENM-5QU_decoy_scores.csv |
5EI3-5O8 | data/5E/5EI3-5O8/5EI3-5O8_ligand.pdbqt | data/5E/5EI3-5O8/5EI3-5O8_target.pdbqt | data/5E/5EI3-5O8/5EI3-5O8_decoys.pdbqt | data/5E/5EI3-5O8/5EI3-5O8_decoy_scores.csv |
5EC9-5LO | data/5E/5EC9-5LO/5EC9-5LO_ligand.pdbqt | data/5E/5EC9-5LO/5EC9-5LO_target.pdbqt | data/5E/5EC9-5LO/5EC9-5LO_decoys.pdbqt | data/5E/5EC9-5LO/5EC9-5LO_decoy_scores.csv |
5ECX-5N1 | data/5E/5ECX-5N1/5ECX-5N1_ligand.pdbqt | data/5E/5ECX-5N1/5ECX-5N1_target.pdbqt | data/5E/5ECX-5N1/5ECX-5N1_decoys.pdbqt | data/5E/5ECX-5N1/5ECX-5N1_decoy_scores.csv |
5ETN-5RX | data/5E/5ETN-5RX/5ETN-5RX_ligand.pdbqt | data/5E/5ETN-5RX/5ETN-5RX_target.pdbqt | data/5E/5ETN-5RX/5ETN-5RX_decoys.pdbqt | data/5E/5ETN-5RX/5ETN-5RX_decoy_scores.csv |
5ECR-JAA | data/5E/5ECR-JAA/5ECR-JAA_ligand.pdbqt | data/5E/5ECR-JAA/5ECR-JAA_target.pdbqt | data/5E/5ECR-JAA/5ECR-JAA_decoys.pdbqt | data/5E/5ECR-JAA/5ECR-JAA_decoy_scores.csv |
5EP2-AZU | data/5E/5EP2-AZU/5EP2-AZU_ligand.pdbqt | data/5E/5EP2-AZU/5EP2-AZU_target.pdbqt | data/5E/5EP2-AZU/5EP2-AZU_decoys.pdbqt | data/5E/5EP2-AZU/5EP2-AZU_decoy_scores.csv |
5EMJ-SFG | data/5E/5EMJ-SFG/5EMJ-SFG_ligand.pdbqt | data/5E/5EMJ-SFG/5EMJ-SFG_target.pdbqt | data/5E/5EMJ-SFG/5EMJ-SFG_decoys.pdbqt | data/5E/5EMJ-SFG/5EMJ-SFG_decoy_scores.csv |
5EJ6-TD6 | data/5E/5EJ6-TD6/5EJ6-TD6_ligand.pdbqt | data/5E/5EJ6-TD6/5EJ6-TD6_target.pdbqt | data/5E/5EJ6-TD6/5EJ6-TD6_decoys.pdbqt | data/5E/5EJ6-TD6/5EJ6-TD6_decoy_scores.csv |
5EFA-MGT | data/5E/5EFA-MGT/5EFA-MGT_ligand.pdbqt | data/5E/5EFA-MGT/5EFA-MGT_target.pdbqt | data/5E/5EFA-MGT/5EFA-MGT_decoys.pdbqt | data/5E/5EFA-MGT/5EFA-MGT_decoy_scores.csv |
5E0G-5LG | data/5E/5E0G-5LG/5E0G-5LG_ligand.pdbqt | data/5E/5E0G-5LG/5E0G-5LG_target.pdbqt | data/5E/5E0G-5LG/5E0G-5LG_decoys.pdbqt | data/5E/5E0G-5LG/5E0G-5LG_decoy_scores.csv |
5EW9-5VC | data/5E/5EW9-5VC/5EW9-5VC_ligand.pdbqt | data/5E/5EW9-5VC/5EW9-5VC_target.pdbqt | data/5E/5EW9-5VC/5EW9-5VC_decoys.pdbqt | data/5E/5EW9-5VC/5EW9-5VC_decoy_scores.csv |
5E1D-SAH | data/5E/5E1D-SAH/5E1D-SAH_ligand.pdbqt | data/5E/5E1D-SAH/5E1D-SAH_target.pdbqt | data/5E/5E1D-SAH/5E1D-SAH_decoys.pdbqt | data/5E/5E1D-SAH/5E1D-SAH_decoy_scores.csv |
5EQP-5R9 | data/5E/5EQP-5R9/5EQP-5R9_ligand.pdbqt | data/5E/5EQP-5R9/5EQP-5R9_target.pdbqt | data/5E/5EQP-5R9/5EQP-5R9_decoys.pdbqt | data/5E/5EQP-5R9/5EQP-5R9_decoy_scores.csv |
5ETS-APC | data/5E/5ETS-APC/5ETS-APC_ligand.pdbqt | data/5E/5ETS-APC/5ETS-APC_target.pdbqt | data/5E/5ETS-APC/5ETS-APC_decoys.pdbqt | data/5E/5ETS-APC/5ETS-APC_decoy_scores.csv |
5ETP-5RZ | data/5E/5ETP-5RZ/5ETP-5RZ_ligand.pdbqt | data/5E/5ETP-5RZ/5ETP-5RZ_target.pdbqt | data/5E/5ETP-5RZ/5ETP-5RZ_decoys.pdbqt | data/5E/5ETP-5RZ/5ETP-5RZ_decoy_scores.csv |
5E8W-STU | data/5E/5E8W-STU/5E8W-STU_ligand.pdbqt | data/5E/5E8W-STU/5E8W-STU_target.pdbqt | data/5E/5E8W-STU/5E8W-STU_decoys.pdbqt | data/5E/5E8W-STU/5E8W-STU_decoy_scores.csv |
5EHV-5ON | data/5E/5EHV-5ON/5EHV-5ON_ligand.pdbqt | data/5E/5EHV-5ON/5EHV-5ON_target.pdbqt | data/5E/5EHV-5ON/5EHV-5ON_decoys.pdbqt | data/5E/5EHV-5ON/5EHV-5ON_decoy_scores.csv |
5EBW-DGA | data/5E/5EBW-DGA/5EBW-DGA_ligand.pdbqt | data/5E/5EBW-DGA/5EBW-DGA_target.pdbqt | data/5E/5EBW-DGA/5EBW-DGA_decoys.pdbqt | data/5E/5EBW-DGA/5EBW-DGA_decoy_scores.csv |
5EHJ-5K5 | data/5E/5EHJ-5K5/5EHJ-5K5_ligand.pdbqt | data/5E/5EHJ-5K5/5EHJ-5K5_target.pdbqt | data/5E/5EHJ-5K5/5EHJ-5K5_decoys.pdbqt | data/5E/5EHJ-5K5/5EHJ-5K5_decoy_scores.csv |
5E8Z-5L4 | data/5E/5E8Z-5L4/5E8Z-5L4_ligand.pdbqt | data/5E/5E8Z-5L4/5E8Z-5L4_target.pdbqt | data/5E/5E8Z-5L4/5E8Z-5L4_decoys.pdbqt | data/5E/5E8Z-5L4/5E8Z-5L4_decoy_scores.csv |
5E89-TD2 | data/5E/5E89-TD2/5E89-TD2_ligand.pdbqt | data/5E/5E89-TD2/5E89-TD2_target.pdbqt | data/5E/5E89-TD2/5E89-TD2_decoys.pdbqt | data/5E/5E89-TD2/5E89-TD2_decoy_scores.csv |
5ERU-ADP | data/5E/5ERU-ADP/5ERU-ADP_ligand.pdbqt | data/5E/5ERU-ADP/5ERU-ADP_target.pdbqt | null | null |
5EMN-FMN | data/5E/5EMN-FMN/5EMN-FMN_ligand.pdbqt | data/5E/5EMN-FMN/5EMN-FMN_target.pdbqt | data/5E/5EMN-FMN/5EMN-FMN_decoys.pdbqt | data/5E/5EMN-FMN/5EMN-FMN_decoy_scores.csv |
5EGP-SAH | data/5E/5EGP-SAH/5EGP-SAH_ligand.pdbqt | data/5E/5EGP-SAH/5EGP-SAH_target.pdbqt | data/5E/5EGP-SAH/5EGP-SAH_decoys.pdbqt | data/5E/5EGP-SAH/5EGP-SAH_decoy_scores.csv |
5EZY-GDP | data/5E/5EZY-GDP/5EZY-GDP_ligand.pdbqt | data/5E/5EZY-GDP/5EZY-GDP_target.pdbqt | data/5E/5EZY-GDP/5EZY-GDP_decoys.pdbqt | data/5E/5EZY-GDP/5EZY-GDP_decoy_scores.csv |
5EY1-GTP | data/5E/5EY1-GTP/5EY1-GTP_ligand.pdbqt | data/5E/5EY1-GTP/5EY1-GTP_target.pdbqt | data/5E/5EY1-GTP/5EY1-GTP_decoys.pdbqt | data/5E/5EY1-GTP/5EY1-GTP_decoy_scores.csv |
5EZP-IPJ | data/5E/5EZP-IPJ/5EZP-IPJ_ligand.pdbqt | data/5E/5EZP-IPJ/5EZP-IPJ_target.pdbqt | data/5E/5EZP-IPJ/5EZP-IPJ_decoys.pdbqt | data/5E/5EZP-IPJ/5EZP-IPJ_decoy_scores.csv |
5EUA-3P7 | data/5E/5EUA-3P7/5EUA-3P7_ligand.pdbqt | data/5E/5EUA-3P7/5EUA-3P7_target.pdbqt | data/5E/5EUA-3P7/5EUA-3P7_decoys.pdbqt | data/5E/5EUA-3P7/5EUA-3P7_decoy_scores.csv |
5EFH-FKS | data/5E/5EFH-FKS/5EFH-FKS_ligand.pdbqt | data/5E/5EFH-FKS/5EFH-FKS_target.pdbqt | data/5E/5EFH-FKS/5EFH-FKS_decoys.pdbqt | data/5E/5EFH-FKS/5EFH-FKS_decoy_scores.csv |
5EP4-ATP | data/5E/5EP4-ATP/5EP4-ATP_ligand.pdbqt | data/5E/5EP4-ATP/5EP4-ATP_target.pdbqt | data/5E/5EP4-ATP/5EP4-ATP_decoys.pdbqt | data/5E/5EP4-ATP/5EP4-ATP_decoy_scores.csv |
5EKW-5DL | data/5E/5EKW-5DL/5EKW-5DL_ligand.pdbqt | data/5E/5EKW-5DL/5EKW-5DL_target.pdbqt | data/5E/5EKW-5DL/5EKW-5DL_decoys.pdbqt | data/5E/5EKW-5DL/5EKW-5DL_decoy_scores.csv |
5E5I-5NJ | data/5E/5E5I-5NJ/5E5I-5NJ_ligand.pdbqt | data/5E/5E5I-5NJ/5E5I-5NJ_target.pdbqt | data/5E/5E5I-5NJ/5E5I-5NJ_decoys.pdbqt | data/5E/5E5I-5NJ/5E5I-5NJ_decoy_scores.csv |
5EYR-5T0 | data/5E/5EYR-5T0/5EYR-5T0_ligand.pdbqt | data/5E/5EYR-5T0/5EYR-5T0_target.pdbqt | data/5E/5EYR-5T0/5EYR-5T0_decoys.pdbqt | data/5E/5EYR-5T0/5EYR-5T0_decoy_scores.csv |
5EDF-P6G | data/5E/5EDF-P6G/5EDF-P6G_ligand.pdbqt | data/5E/5EDF-P6G/5EDF-P6G_target.pdbqt | data/5E/5EDF-P6G/5EDF-P6G_decoys.pdbqt | data/5E/5EDF-P6G/5EDF-P6G_decoy_scores.csv |
5ENJ-5Q9 | data/5E/5ENJ-5Q9/5ENJ-5Q9_ligand.pdbqt | data/5E/5ENJ-5Q9/5ENJ-5Q9_target.pdbqt | data/5E/5ENJ-5Q9/5ENJ-5Q9_decoys.pdbqt | data/5E/5ENJ-5Q9/5ENJ-5Q9_decoy_scores.csv |
5E92-ANP | data/5E/5E92-ANP/5E92-ANP_ligand.pdbqt | data/5E/5E92-ANP/5E92-ANP_target.pdbqt | data/5E/5E92-ANP/5E92-ANP_decoys.pdbqt | data/5E/5E92-ANP/5E92-ANP_decoy_scores.csv |
5EL2-KBR | data/5E/5EL2-KBR/5EL2-KBR_ligand.pdbqt | data/5E/5EL2-KBR/5EL2-KBR_target.pdbqt | data/5E/5EL2-KBR/5EL2-KBR_decoys.pdbqt | data/5E/5EL2-KBR/5EL2-KBR_decoy_scores.csv |
5EA4-NHE | data/5E/5EA4-NHE/5EA4-NHE_ligand.pdbqt | data/5E/5EA4-NHE/5EA4-NHE_target.pdbqt | data/5E/5EA4-NHE/5EA4-NHE_decoys.pdbqt | data/5E/5EA4-NHE/5EA4-NHE_decoy_scores.csv |
5E12-FLC | data/5E/5E12-FLC/5E12-FLC_ligand.pdbqt | data/5E/5E12-FLC/5E12-FLC_target.pdbqt | data/5E/5E12-FLC/5E12-FLC_decoys.pdbqt | data/5E/5E12-FLC/5E12-FLC_decoy_scores.csv |
5EZ2-BLA | data/5E/5EZ2-BLA/5EZ2-BLA_ligand.pdbqt | data/5E/5EZ2-BLA/5EZ2-BLA_target.pdbqt | data/5E/5EZ2-BLA/5EZ2-BLA_decoys.pdbqt | data/5E/5EZ2-BLA/5EZ2-BLA_decoy_scores.csv |
5E1C-5K8 | data/5E/5E1C-5K8/5E1C-5K8_ligand.pdbqt | data/5E/5E1C-5K8/5E1C-5K8_target.pdbqt | data/5E/5E1C-5K8/5E1C-5K8_decoys.pdbqt | data/5E/5E1C-5K8/5E1C-5K8_decoy_scores.csv |
5ETR-APC | data/5E/5ETR-APC/5ETR-APC_ligand.pdbqt | data/5E/5ETR-APC/5ETR-APC_target.pdbqt | data/5E/5ETR-APC/5ETR-APC_decoys.pdbqt | data/5E/5ETR-APC/5ETR-APC_decoy_scores.csv |
5EA9-5LM | data/5E/5EA9-5LM/5EA9-5LM_ligand.pdbqt | data/5E/5EA9-5LM/5EA9-5LM_target.pdbqt | data/5E/5EA9-5LM/5EA9-5LM_decoys.pdbqt | data/5E/5EA9-5LM/5EA9-5LM_decoy_scores.csv |
5E29-RQ3 | data/5E/5E29-RQ3/5E29-RQ3_ligand.pdbqt | data/5E/5E29-RQ3/5E29-RQ3_target.pdbqt | data/5E/5E29-RQ3/5E29-RQ3_decoys.pdbqt | data/5E/5E29-RQ3/5E29-RQ3_decoy_scores.csv |
5EQD-UDP | data/5E/5EQD-UDP/5EQD-UDP_ligand.pdbqt | data/5E/5EQD-UDP/5EQD-UDP_target.pdbqt | data/5E/5EQD-UDP/5EQD-UDP_decoys.pdbqt | data/5E/5EQD-UDP/5EQD-UDP_decoy_scores.csv |
5EJ5-TD6 | data/5E/5EJ5-TD6/5EJ5-TD6_ligand.pdbqt | data/5E/5EJ5-TD6/5EJ5-TD6_target.pdbqt | data/5E/5EJ5-TD6/5EJ5-TD6_decoys.pdbqt | data/5E/5EJ5-TD6/5EJ5-TD6_decoy_scores.csv |
5ELV-GLU | data/5E/5ELV-GLU/5ELV-GLU_ligand.pdbqt | data/5E/5ELV-GLU/5ELV-GLU_target.pdbqt | data/5E/5ELV-GLU/5ELV-GLU_decoys.pdbqt | data/5E/5ELV-GLU/5ELV-GLU_decoy_scores.csv |
5ECM-JAA | data/5E/5ECM-JAA/5ECM-JAA_ligand.pdbqt | data/5E/5ECM-JAA/5ECM-JAA_target.pdbqt | data/5E/5ECM-JAA/5ECM-JAA_decoys.pdbqt | data/5E/5ECM-JAA/5ECM-JAA_decoy_scores.csv |
5ELO-LYS | data/5E/5ELO-LYS/5ELO-LYS_ligand.pdbqt | data/5E/5ELO-LYS/5ELO-LYS_target.pdbqt | data/5E/5ELO-LYS/5ELO-LYS_decoys.pdbqt | data/5E/5ELO-LYS/5ELO-LYS_decoy_scores.csv |
5ENP-5QF | data/5E/5ENP-5QF/5ENP-5QF_ligand.pdbqt | data/5E/5ENP-5QF/5ENP-5QF_target.pdbqt | data/5E/5ENP-5QF/5ENP-5QF_decoys.pdbqt | data/5E/5ENP-5QF/5ENP-5QF_decoy_scores.csv |
5EY4-DTP | data/5E/5EY4-DTP/5EY4-DTP_ligand.pdbqt | data/5E/5EY4-DTP/5EY4-DTP_target.pdbqt | data/5E/5EY4-DTP/5EY4-DTP_decoys.pdbqt | data/5E/5EY4-DTP/5EY4-DTP_decoy_scores.csv |
5E5J-017 | data/5E/5E5J-017/5E5J-017_ligand.pdbqt | data/5E/5E5J-017/5E5J-017_target.pdbqt | null | null |
5EI6-5OQ | data/5E/5EI6-5OQ/5EI6-5OQ_ligand.pdbqt | data/5E/5EI6-5OQ/5EI6-5OQ_target.pdbqt | data/5E/5EI6-5OQ/5EI6-5OQ_decoys.pdbqt | data/5E/5EI6-5OQ/5EI6-5OQ_decoy_scores.csv |
5EK3-5PK | data/5E/5EK3-5PK/5EK3-5PK_ligand.pdbqt | data/5E/5EK3-5PK/5EK3-5PK_target.pdbqt | data/5E/5EK3-5PK/5EK3-5PK_decoys.pdbqt | data/5E/5EK3-5PK/5EK3-5PK_decoy_scores.csv |
5E4A-5JW | data/5E/5E4A-5JW/5E4A-5JW_ligand.pdbqt | data/5E/5E4A-5JW/5E4A-5JW_target.pdbqt | data/5E/5E4A-5JW/5E4A-5JW_decoys.pdbqt | data/5E/5E4A-5JW/5E4A-5JW_decoy_scores.csv |
5E9L-6AI | data/5E/5E9L-6AI/5E9L-6AI_ligand.pdbqt | data/5E/5E9L-6AI/5E9L-6AI_target.pdbqt | data/5E/5E9L-6AI/5E9L-6AI_decoys.pdbqt | data/5E/5E9L-6AI/5E9L-6AI_decoy_scores.csv |
1ME9-IMP | data/1M/1ME9-IMP/1ME9-IMP_ligand.pdbqt | data/1M/1ME9-IMP/1ME9-IMP_target.pdbqt | data/1M/1ME9-IMP/1ME9-IMP_decoys.pdbqt | data/1M/1ME9-IMP/1ME9-IMP_decoy_scores.csv |
1MTV-BX3 | data/1M/1MTV-BX3/1MTV-BX3_ligand.pdbqt | data/1M/1MTV-BX3/1MTV-BX3_target.pdbqt | data/1M/1MTV-BX3/1MTV-BX3_decoys.pdbqt | data/1M/1MTV-BX3/1MTV-BX3_decoy_scores.csv |
1M8J-NAD | data/1M/1M8J-NAD/1M8J-NAD_ligand.pdbqt | data/1M/1M8J-NAD/1M8J-NAD_target.pdbqt | data/1M/1M8J-NAD/1M8J-NAD_decoys.pdbqt | data/1M/1M8J-NAD/1M8J-NAD_decoy_scores.csv |
1MTB-QNC | data/1M/1MTB-QNC/1MTB-QNC_ligand.pdbqt | data/1M/1MTB-QNC/1MTB-QNC_target.pdbqt | data/1M/1MTB-QNC/1MTB-QNC_decoys.pdbqt | data/1M/1MTB-QNC/1MTB-QNC_decoy_scores.csv |
1MQ5-XLC | data/1M/1MQ5-XLC/1MQ5-XLC_ligand.pdbqt | data/1M/1MQ5-XLC/1MQ5-XLC_target.pdbqt | data/1M/1MQ5-XLC/1MQ5-XLC_decoys.pdbqt | data/1M/1MQ5-XLC/1MQ5-XLC_decoy_scores.csv |
1M48-FRG | data/1M/1M48-FRG/1M48-FRG_ligand.pdbqt | data/1M/1M48-FRG/1M48-FRG_target.pdbqt | data/1M/1M48-FRG/1M48-FRG_decoys.pdbqt | data/1M/1M48-FRG/1M48-FRG_decoy_scores.csv |
1MMV-H4B | data/1M/1MMV-H4B/1MMV-H4B_ligand.pdbqt | data/1M/1MMV-H4B/1MMV-H4B_target.pdbqt | data/1M/1MMV-H4B/1MMV-H4B_decoys.pdbqt | data/1M/1MMV-H4B/1MMV-H4B_decoy_scores.csv |
1MMV-3AR | data/1M/1MMV-3AR/1MMV-3AR_ligand.pdbqt | data/1M/1MMV-3AR/1MMV-3AR_target.pdbqt | data/1M/1MMV-3AR/1MMV-3AR_decoys.pdbqt | data/1M/1MMV-3AR/1MMV-3AR_decoy_scores.csv |
1MWT-PNM | data/1M/1MWT-PNM/1MWT-PNM_ligand.pdbqt | data/1M/1MWT-PNM/1MWT-PNM_target.pdbqt | data/1M/1MWT-PNM/1MWT-PNM_decoys.pdbqt | data/1M/1MWT-PNM/1MWT-PNM_decoy_scores.csv |
1M7O-3PG | data/1M/1M7O-3PG/1M7O-3PG_ligand.pdbqt | data/1M/1M7O-3PG/1M7O-3PG_target.pdbqt | data/1M/1M7O-3PG/1M7O-3PG_decoys.pdbqt | data/1M/1M7O-3PG/1M7O-3PG_decoy_scores.csv |
1MTR-PI6 | data/1M/1MTR-PI6/1MTR-PI6_ligand.pdbqt | data/1M/1MTR-PI6/1MTR-PI6_target.pdbqt | data/1M/1MTR-PI6/1MTR-PI6_decoys.pdbqt | data/1M/1MTR-PI6/1MTR-PI6_decoy_scores.csv |
1MVN-PCO | data/1M/1MVN-PCO/1MVN-PCO_ligand.pdbqt | data/1M/1MVN-PCO/1MVN-PCO_target.pdbqt | data/1M/1MVN-PCO/1MVN-PCO_decoys.pdbqt | data/1M/1MVN-PCO/1MVN-PCO_decoy_scores.csv |
1MG0-DFB | data/1M/1MG0-DFB/1MG0-DFB_ligand.pdbqt | data/1M/1MG0-DFB/1MG0-DFB_target.pdbqt | data/1M/1MG0-DFB/1MG0-DFB_decoys.pdbqt | data/1M/1MG0-DFB/1MG0-DFB_decoy_scores.csv |
1MRH-FMC | data/1M/1MRH-FMC/1MRH-FMC_ligand.pdbqt | data/1M/1MRH-FMC/1MRH-FMC_target.pdbqt | data/1M/1MRH-FMC/1MRH-FMC_decoys.pdbqt | data/1M/1MRH-FMC/1MRH-FMC_decoy_scores.csv |
1ME3-P10 | data/1M/1ME3-P10/1ME3-P10_ligand.pdbqt | data/1M/1ME3-P10/1ME3-P10_target.pdbqt | data/1M/1ME3-P10/1ME3-P10_decoys.pdbqt | data/1M/1ME3-P10/1ME3-P10_decoy_scores.csv |
1MMK-TIH | data/1M/1MMK-TIH/1MMK-TIH_ligand.pdbqt | data/1M/1MMK-TIH/1MMK-TIH_target.pdbqt | data/1M/1MMK-TIH/1MMK-TIH_decoys.pdbqt | data/1M/1MMK-TIH/1MMK-TIH_decoy_scores.csv |
1M51-TSX | data/1M/1M51-TSX/1M51-TSX_ligand.pdbqt | data/1M/1M51-TSX/1M51-TSX_target.pdbqt | data/1M/1M51-TSX/1M51-TSX_decoys.pdbqt | data/1M/1M51-TSX/1M51-TSX_decoy_scores.csv |
1MK1-APR | data/1M/1MK1-APR/1MK1-APR_ligand.pdbqt | data/1M/1MK1-APR/1MK1-APR_target.pdbqt | data/1M/1MK1-APR/1MK1-APR_decoys.pdbqt | data/1M/1MK1-APR/1MK1-APR_decoy_scores.csv |
1M5C-BRH | data/1M/1M5C-BRH/1M5C-BRH_ligand.pdbqt | data/1M/1M5C-BRH/1M5C-BRH_target.pdbqt | data/1M/1M5C-BRH/1M5C-BRH_decoys.pdbqt | data/1M/1M5C-BRH/1M5C-BRH_decoy_scores.csv |
1MDT-APU | data/1M/1MDT-APU/1MDT-APU_ligand.pdbqt | data/1M/1MDT-APU/1MDT-APU_target.pdbqt | data/1M/1MDT-APU/1MDT-APU_decoys.pdbqt | data/1M/1MDT-APU/1MDT-APU_decoy_scores.csv |
1MX0-ANP | data/1M/1MX0-ANP/1MX0-ANP_ligand.pdbqt | data/1M/1MX0-ANP/1MX0-ANP_target.pdbqt | data/1M/1MX0-ANP/1MX0-ANP_decoys.pdbqt | data/1M/1MX0-ANP/1MX0-ANP_decoy_scores.csv |
1MI3-NAD | data/1M/1MI3-NAD/1MI3-NAD_ligand.pdbqt | data/1M/1MI3-NAD/1MI3-NAD_target.pdbqt | data/1M/1MI3-NAD/1MI3-NAD_decoys.pdbqt | data/1M/1MI3-NAD/1MI3-NAD_decoy_scores.csv |
1M6P-M6P | data/1M/1M6P-M6P/1M6P-M6P_ligand.pdbqt | data/1M/1M6P-M6P/1M6P-M6P_target.pdbqt | data/1M/1M6P-M6P/1M6P-M6P_decoys.pdbqt | data/1M/1M6P-M6P/1M6P-M6P_decoy_scores.csv |
1MET-DMP | data/1M/1MET-DMP/1MET-DMP_ligand.pdbqt | data/1M/1MET-DMP/1MET-DMP_target.pdbqt | data/1M/1MET-DMP/1MET-DMP_decoys.pdbqt | data/1M/1MET-DMP/1MET-DMP_decoy_scores.csv |
1MX3-NAD | data/1M/1MX3-NAD/1MX3-NAD_ligand.pdbqt | data/1M/1MX3-NAD/1MX3-NAD_target.pdbqt | data/1M/1MX3-NAD/1MX3-NAD_decoys.pdbqt | data/1M/1MX3-NAD/1MX3-NAD_decoy_scores.csv |
1MAU-LTN | data/1M/1MAU-LTN/1MAU-LTN_ligand.pdbqt | data/1M/1MAU-LTN/1MAU-LTN_target.pdbqt | data/1M/1MAU-LTN/1MAU-LTN_decoys.pdbqt | data/1M/1MAU-LTN/1MAU-LTN_decoy_scores.csv |
1M2G-APR | data/1M/1M2G-APR/1M2G-APR_ligand.pdbqt | data/1M/1M2G-APR/1M2G-APR_target.pdbqt | data/1M/1M2G-APR/1M2G-APR_decoys.pdbqt | data/1M/1M2G-APR/1M2G-APR_decoy_scores.csv |
1MY3-BWD | data/1M/1MY3-BWD/1MY3-BWD_ligand.pdbqt | data/1M/1MY3-BWD/1MY3-BWD_target.pdbqt | data/1M/1MY3-BWD/1MY3-BWD_decoys.pdbqt | data/1M/1MY3-BWD/1MY3-BWD_decoy_scores.csv |
1MGP-PLM | data/1M/1MGP-PLM/1MGP-PLM_ligand.pdbqt | data/1M/1MGP-PLM/1MGP-PLM_target.pdbqt | data/1M/1MGP-PLM/1MGP-PLM_decoys.pdbqt | data/1M/1MGP-PLM/1MGP-PLM_decoy_scores.csv |
1M7P-G3H | data/1M/1M7P-G3H/1M7P-G3H_ligand.pdbqt | data/1M/1M7P-G3H/1M7P-G3H_target.pdbqt | data/1M/1M7P-G3H/1M7P-G3H_decoys.pdbqt | data/1M/1M7P-G3H/1M7P-G3H_decoy_scores.csv |
1MSK-SAM | data/1M/1MSK-SAM/1MSK-SAM_ligand.pdbqt | data/1M/1MSK-SAM/1MSK-SAM_target.pdbqt | data/1M/1MSK-SAM/1MSK-SAM_decoys.pdbqt | data/1M/1MSK-SAM/1MSK-SAM_decoy_scores.csv |
1MTS-BX3 | data/1M/1MTS-BX3/1MTS-BX3_ligand.pdbqt | data/1M/1MTS-BX3/1MTS-BX3_target.pdbqt | data/1M/1MTS-BX3/1MTS-BX3_decoys.pdbqt | data/1M/1MTS-BX3/1MTS-BX3_decoy_scores.csv |
1M2Q-MNX | data/1M/1M2Q-MNX/1M2Q-MNX_ligand.pdbqt | data/1M/1M2Q-MNX/1M2Q-MNX_target.pdbqt | data/1M/1M2Q-MNX/1M2Q-MNX_decoys.pdbqt | data/1M/1M2Q-MNX/1M2Q-MNX_decoy_scores.csv |
1MU8-CDB | data/1M/1MU8-CDB/1MU8-CDB_ligand.pdbqt | data/1M/1MU8-CDB/1MU8-CDB_target.pdbqt | data/1M/1MU8-CDB/1MU8-CDB_decoys.pdbqt | data/1M/1MU8-CDB/1MU8-CDB_decoy_scores.csv |
1MKV-GEL | data/1M/1MKV-GEL/1MKV-GEL_ligand.pdbqt | data/1M/1MKV-GEL/1MKV-GEL_target.pdbqt | data/1M/1MKV-GEL/1MKV-GEL_decoys.pdbqt | data/1M/1MKV-GEL/1MKV-GEL_decoy_scores.csv |
1M15-ADP | data/1M/1M15-ADP/1M15-ADP_ligand.pdbqt | data/1M/1M15-ADP/1M15-ADP_target.pdbqt | data/1M/1M15-ADP/1M15-ADP_decoys.pdbqt | data/1M/1M15-ADP/1M15-ADP_decoy_scores.csv |
1MSN-JE2 | data/1M/1MSN-JE2/1MSN-JE2_ligand.pdbqt | data/1M/1MSN-JE2/1MSN-JE2_target.pdbqt | data/1M/1MSN-JE2/1MSN-JE2_decoys.pdbqt | data/1M/1MSN-JE2/1MSN-JE2_decoy_scores.csv |
1MVN-FMN | data/1M/1MVN-FMN/1MVN-FMN_ligand.pdbqt | data/1M/1MVN-FMN/1MVN-FMN_target.pdbqt | data/1M/1MVN-FMN/1MVN-FMN_decoys.pdbqt | data/1M/1MVN-FMN/1MVN-FMN_decoy_scores.csv |
1MQJ-HWD | data/1M/1MQJ-HWD/1MQJ-HWD_ligand.pdbqt | data/1M/1MQJ-HWD/1MQJ-HWD_target.pdbqt | data/1M/1MQJ-HWD/1MQJ-HWD_decoys.pdbqt | data/1M/1MQJ-HWD/1MQJ-HWD_decoy_scores.csv |
1MMP-RSS | data/1M/1MMP-RSS/1MMP-RSS_ligand.pdbqt | data/1M/1MMP-RSS/1MMP-RSS_target.pdbqt | data/1M/1MMP-RSS/1MMP-RSS_decoys.pdbqt | data/1M/1MMP-RSS/1MMP-RSS_decoy_scores.csv |
1M3U-KPL | data/1M/1M3U-KPL/1M3U-KPL_ligand.pdbqt | data/1M/1M3U-KPL/1M3U-KPL_target.pdbqt | data/1M/1M3U-KPL/1M3U-KPL_decoys.pdbqt | data/1M/1M3U-KPL/1M3U-KPL_decoy_scores.csv |
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