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 ⌀ |
|---|---|---|---|---|
4R84-CSF | data/4R/4R84-CSF/4R84-CSF_ligand.pdbqt | data/4R/4R84-CSF/4R84-CSF_target.pdbqt | data/4R/4R84-CSF/4R84-CSF_decoys.pdbqt | data/4R/4R84-CSF/4R84-CSF_decoy_scores.csv |
4R5V-R5V | data/4R/4R5V-R5V/4R5V-R5V_ligand.pdbqt | data/4R/4R5V-R5V/4R5V-R5V_target.pdbqt | data/4R/4R5V-R5V/4R5V-R5V_decoys.pdbqt | data/4R/4R5V-R5V/4R5V-R5V_decoy_scores.csv |
4R2I-ANP | data/4R/4R2I-ANP/4R2I-ANP_ligand.pdbqt | data/4R/4R2I-ANP/4R2I-ANP_target.pdbqt | data/4R/4R2I-ANP/4R2I-ANP_decoys.pdbqt | data/4R/4R2I-ANP/4R2I-ANP_decoy_scores.csv |
4RR8-A3S | data/4R/4RR8-A3S/4RR8-A3S_ligand.pdbqt | data/4R/4RR8-A3S/4RR8-A3S_target.pdbqt | data/4R/4RR8-A3S/4RR8-A3S_decoys.pdbqt | data/4R/4RR8-A3S/4RR8-A3S_decoy_scores.csv |
4RK8-FMN | data/4R/4RK8-FMN/4RK8-FMN_ligand.pdbqt | data/4R/4RK8-FMN/4RK8-FMN_target.pdbqt | data/4R/4RK8-FMN/4RK8-FMN_decoys.pdbqt | data/4R/4RK8-FMN/4RK8-FMN_decoy_scores.csv |
4RS3-XYL | data/4R/4RS3-XYL/4RS3-XYL_ligand.pdbqt | data/4R/4RS3-XYL/4RS3-XYL_target.pdbqt | data/4R/4RS3-XYL/4RS3-XYL_decoys.pdbqt | data/4R/4RS3-XYL/4RS3-XYL_decoy_scores.csv |
4RXD-RIS | data/4R/4RXD-RIS/4RXD-RIS_ligand.pdbqt | data/4R/4RXD-RIS/4RXD-RIS_target.pdbqt | data/4R/4RXD-RIS/4RXD-RIS_decoys.pdbqt | data/4R/4RXD-RIS/4RXD-RIS_decoy_scores.csv |
4RXS-GTP | data/4R/4RXS-GTP/4RXS-GTP_ligand.pdbqt | data/4R/4RXS-GTP/4RXS-GTP_target.pdbqt | data/4R/4RXS-GTP/4RXS-GTP_decoys.pdbqt | data/4R/4RXS-GTP/4RXS-GTP_decoy_scores.csv |
4R3B-MA4 | data/4R/4R3B-MA4/4R3B-MA4_ligand.pdbqt | data/4R/4R3B-MA4/4R3B-MA4_target.pdbqt | data/4R/4R3B-MA4/4R3B-MA4_decoys.pdbqt | data/4R/4R3B-MA4/4R3B-MA4_decoy_scores.csv |
4RRI-A3T | data/4R/4RRI-A3T/4RRI-A3T_ligand.pdbqt | data/4R/4RRI-A3T/4RRI-A3T_target.pdbqt | data/4R/4RRI-A3T/4RRI-A3T_decoys.pdbqt | data/4R/4RRI-A3T/4RRI-A3T_decoy_scores.csv |
4RR9-A3S | data/4R/4RR9-A3S/4RR9-A3S_ligand.pdbqt | data/4R/4RR9-A3S/4RR9-A3S_target.pdbqt | data/4R/4RR9-A3S/4RR9-A3S_decoys.pdbqt | data/4R/4RR9-A3S/4RR9-A3S_decoy_scores.csv |
4RDH-AMP | data/4R/4RDH-AMP/4RDH-AMP_ligand.pdbqt | data/4R/4RDH-AMP/4RDH-AMP_target.pdbqt | data/4R/4RDH-AMP/4RDH-AMP_decoys.pdbqt | data/4R/4RDH-AMP/4RDH-AMP_decoy_scores.csv |
4ROL-3U7 | data/4R/4ROL-3U7/4ROL-3U7_ligand.pdbqt | data/4R/4ROL-3U7/4ROL-3U7_target.pdbqt | data/4R/4ROL-3U7/4ROL-3U7_decoys.pdbqt | data/4R/4ROL-3U7/4ROL-3U7_decoy_scores.csv |
4R8M-3LX | data/4R/4R8M-3LX/4R8M-3LX_ligand.pdbqt | data/4R/4R8M-3LX/4R8M-3LX_target.pdbqt | data/4R/4R8M-3LX/4R8M-3LX_decoys.pdbqt | data/4R/4R8M-3LX/4R8M-3LX_decoy_scores.csv |
4RGQ-1GP | data/4R/4RGQ-1GP/4RGQ-1GP_ligand.pdbqt | data/4R/4RGQ-1GP/4RGQ-1GP_target.pdbqt | data/4R/4RGQ-1GP/4RGQ-1GP_decoys.pdbqt | data/4R/4RGQ-1GP/4RGQ-1GP_decoy_scores.csv |
4RPU-3UE | data/4R/4RPU-3UE/4RPU-3UE_ligand.pdbqt | data/4R/4RPU-3UE/4RPU-3UE_target.pdbqt | null | null |
4RK4-GLC | data/4R/4RK4-GLC/4RK4-GLC_ligand.pdbqt | data/4R/4RK4-GLC/4RK4-GLC_target.pdbqt | data/4R/4RK4-GLC/4RK4-GLC_decoys.pdbqt | data/4R/4RK4-GLC/4RK4-GLC_decoy_scores.csv |
4RFW-3RB | data/4R/4RFW-3RB/4RFW-3RB_ligand.pdbqt | data/4R/4RFW-3RB/4RFW-3RB_target.pdbqt | data/4R/4RFW-3RB/4RFW-3RB_decoys.pdbqt | data/4R/4RFW-3RB/4RFW-3RB_decoy_scores.csv |
4RNX-FMN | data/4R/4RNX-FMN/4RNX-FMN_ligand.pdbqt | data/4R/4RNX-FMN/4RNX-FMN_target.pdbqt | data/4R/4RNX-FMN/4RNX-FMN_decoys.pdbqt | data/4R/4RNX-FMN/4RNX-FMN_decoy_scores.csv |
4RII-TYD | data/4R/4RII-TYD/4RII-TYD_ligand.pdbqt | data/4R/4RII-TYD/4RII-TYD_target.pdbqt | data/4R/4RII-TYD/4RII-TYD_decoys.pdbqt | data/4R/4RII-TYD/4RII-TYD_decoy_scores.csv |
4RRM-A3T | data/4R/4RRM-A3T/4RRM-A3T_ligand.pdbqt | data/4R/4RRM-A3T/4RRM-A3T_target.pdbqt | data/4R/4RRM-A3T/4RRM-A3T_decoys.pdbqt | data/4R/4RRM-A3T/4RRM-A3T_decoy_scores.csv |
4RZ8-3ZM | data/4R/4RZ8-3ZM/4RZ8-3ZM_ligand.pdbqt | data/4R/4RZ8-3ZM/4RZ8-3ZM_target.pdbqt | data/4R/4RZ8-3ZM/4RZ8-3ZM_decoys.pdbqt | data/4R/4RZ8-3ZM/4RZ8-3ZM_decoy_scores.csv |
4RIU-3QR | data/4R/4RIU-3QR/4RIU-3QR_ligand.pdbqt | data/4R/4RIU-3QR/4RIU-3QR_target.pdbqt | data/4R/4RIU-3QR/4RIU-3QR_decoys.pdbqt | data/4R/4RIU-3QR/4RIU-3QR_decoy_scores.csv |
4RGG-GN1 | data/4R/4RGG-GN1/4RGG-GN1_ligand.pdbqt | data/4R/4RGG-GN1/4RGG-GN1_target.pdbqt | data/4R/4RGG-GN1/4RGG-GN1_decoys.pdbqt | data/4R/4RGG-GN1/4RGG-GN1_decoy_scores.csv |
4RIH-3R2 | data/4R/4RIH-3R2/4RIH-3R2_ligand.pdbqt | data/4R/4RIH-3R2/4RIH-3R2_target.pdbqt | data/4R/4RIH-3R2/4RIH-3R2_decoys.pdbqt | data/4R/4RIH-3R2/4RIH-3R2_decoy_scores.csv |
4RXR-GTP | data/4R/4RXR-GTP/4RXR-GTP_ligand.pdbqt | data/4R/4RXR-GTP/4RXR-GTP_target.pdbqt | data/4R/4RXR-GTP/4RXR-GTP_decoys.pdbqt | data/4R/4RXR-GTP/4RXR-GTP_decoy_scores.csv |
4R6P-GAL | data/4R/4R6P-GAL/4R6P-GAL_ligand.pdbqt | data/4R/4R6P-GAL/4R6P-GAL_target.pdbqt | data/4R/4R6P-GAL/4R6P-GAL_decoys.pdbqt | data/4R/4R6P-GAL/4R6P-GAL_decoy_scores.csv |
4R8Y-3KO | data/4R/4R8Y-3KO/4R8Y-3KO_ligand.pdbqt | data/4R/4R8Y-3KO/4R8Y-3KO_target.pdbqt | data/4R/4R8Y-3KO/4R8Y-3KO_decoys.pdbqt | data/4R/4R8Y-3KO/4R8Y-3KO_decoy_scores.csv |
4RY9-TLZ | data/4R/4RY9-TLZ/4RY9-TLZ_ligand.pdbqt | data/4R/4RY9-TLZ/4RY9-TLZ_target.pdbqt | data/4R/4RY9-TLZ/4RY9-TLZ_decoys.pdbqt | data/4R/4RY9-TLZ/4RY9-TLZ_decoy_scores.csv |
4RLF-3SK | data/4R/4RLF-3SK/4RLF-3SK_ligand.pdbqt | data/4R/4RLF-3SK/4RLF-3SK_target.pdbqt | data/4R/4RLF-3SK/4RLF-3SK_decoys.pdbqt | data/4R/4RLF-3SK/4RLF-3SK_decoy_scores.csv |
4RUY-3W6 | data/4R/4RUY-3W6/4RUY-3W6_ligand.pdbqt | data/4R/4RUY-3W6/4RUY-3W6_target.pdbqt | data/4R/4RUY-3W6/4RUY-3W6_decoys.pdbqt | data/4R/4RUY-3W6/4RUY-3W6_decoy_scores.csv |
4R82-NAD | data/4R/4R82-NAD/4R82-NAD_ligand.pdbqt | data/4R/4R82-NAD/4R82-NAD_target.pdbqt | data/4R/4R82-NAD/4R82-NAD_decoys.pdbqt | data/4R/4R82-NAD/4R82-NAD_decoy_scores.csv |
4RRO-3UX | data/4R/4RRO-3UX/4RRO-3UX_ligand.pdbqt | data/4R/4RRO-3UX/4RRO-3UX_target.pdbqt | data/4R/4RRO-3UX/4RRO-3UX_decoys.pdbqt | data/4R/4RRO-3UX/4RRO-3UX_decoy_scores.csv |
4R4O-3HW | data/4R/4R4O-3HW/4R4O-3HW_ligand.pdbqt | data/4R/4R4O-3HW/4R4O-3HW_target.pdbqt | data/4R/4R4O-3HW/4R4O-3HW_decoys.pdbqt | data/4R/4R4O-3HW/4R4O-3HW_decoy_scores.csv |
4RB0-FLC | data/4R/4RB0-FLC/4RB0-FLC_ligand.pdbqt | data/4R/4RB0-FLC/4RB0-FLC_target.pdbqt | data/4R/4RB0-FLC/4RB0-FLC_decoys.pdbqt | data/4R/4RB0-FLC/4RB0-FLC_decoy_scores.csv |
4RIF-3R2 | data/4R/4RIF-3R2/4RIF-3R2_ligand.pdbqt | data/4R/4RIF-3R2/4RIF-3R2_target.pdbqt | data/4R/4RIF-3R2/4RIF-3R2_decoys.pdbqt | data/4R/4RIF-3R2/4RIF-3R2_decoy_scores.csv |
4R7U-UD1 | data/4R/4R7U-UD1/4R7U-UD1_ligand.pdbqt | data/4R/4R7U-UD1/4R7U-UD1_target.pdbqt | data/4R/4R7U-UD1/4R7U-UD1_decoys.pdbqt | data/4R/4R7U-UD1/4R7U-UD1_decoy_scores.csv |
4RCF-3LO | data/4R/4RCF-3LO/4RCF-3LO_ligand.pdbqt | data/4R/4RCF-3LO/4RCF-3LO_target.pdbqt | data/4R/4RCF-3LO/4RCF-3LO_decoys.pdbqt | data/4R/4RCF-3LO/4RCF-3LO_decoy_scores.csv |
4RXR-DCP | data/4R/4RXR-DCP/4RXR-DCP_ligand.pdbqt | data/4R/4RXR-DCP/4RXR-DCP_target.pdbqt | data/4R/4RXR-DCP/4RXR-DCP_decoys.pdbqt | data/4R/4RXR-DCP/4RXR-DCP_decoy_scores.csv |
4RA1-ALX | data/4R/4RA1-ALX/4RA1-ALX_ligand.pdbqt | data/4R/4RA1-ALX/4RA1-ALX_target.pdbqt | data/4R/4RA1-ALX/4RA1-ALX_decoys.pdbqt | data/4R/4RA1-ALX/4RA1-ALX_decoy_scores.csv |
4R5F-PMP | data/4R/4R5F-PMP/4R5F-PMP_ligand.pdbqt | data/4R/4R5F-PMP/4R5F-PMP_target.pdbqt | data/4R/4R5F-PMP/4R5F-PMP_decoys.pdbqt | data/4R/4R5F-PMP/4R5F-PMP_decoy_scores.csv |
4RAO-3L7 | data/4R/4RAO-3L7/4RAO-3L7_ligand.pdbqt | data/4R/4RAO-3L7/4RAO-3L7_target.pdbqt | data/4R/4RAO-3L7/4RAO-3L7_decoys.pdbqt | data/4R/4RAO-3L7/4RAO-3L7_decoy_scores.csv |
4RD4-GNP | data/4R/4RD4-GNP/4RD4-GNP_ligand.pdbqt | data/4R/4RD4-GNP/4RD4-GNP_target.pdbqt | data/4R/4RD4-GNP/4RD4-GNP_decoys.pdbqt | data/4R/4RD4-GNP/4RD4-GNP_decoy_scores.csv |
4R37-UD1 | data/4R/4R37-UD1/4R37-UD1_ligand.pdbqt | data/4R/4R37-UD1/4R37-UD1_target.pdbqt | data/4R/4R37-UD1/4R37-UD1_decoys.pdbqt | data/4R/4R37-UD1/4R37-UD1_decoy_scores.csv |
4RPG-GDU | data/4R/4RPG-GDU/4RPG-GDU_ligand.pdbqt | data/4R/4RPG-GDU/4RPG-GDU_target.pdbqt | data/4R/4RPG-GDU/4RPG-GDU_decoys.pdbqt | data/4R/4RPG-GDU/4RPG-GDU_decoy_scores.csv |
4RK8-ORO | data/4R/4RK8-ORO/4RK8-ORO_ligand.pdbqt | data/4R/4RK8-ORO/4RK8-ORO_target.pdbqt | data/4R/4RK8-ORO/4RK8-ORO_decoys.pdbqt | data/4R/4RK8-ORO/4RK8-ORO_decoy_scores.csv |
4R6Q-GLA | data/4R/4R6Q-GLA/4R6Q-GLA_ligand.pdbqt | data/4R/4R6Q-GLA/4R6Q-GLA_target.pdbqt | data/4R/4R6Q-GLA/4R6Q-GLA_decoys.pdbqt | data/4R/4R6Q-GLA/4R6Q-GLA_decoy_scores.csv |
4RYC-3ZK | data/4R/4RYC-3ZK/4RYC-3ZK_ligand.pdbqt | data/4R/4RYC-3ZK/4RYC-3ZK_target.pdbqt | data/4R/4RYC-3ZK/4RYC-3ZK_decoys.pdbqt | data/4R/4RYC-3ZK/4RYC-3ZK_decoy_scores.csv |
4R42-P6G | data/4R/4R42-P6G/4R42-P6G_ligand.pdbqt | data/4R/4R42-P6G/4R42-P6G_target.pdbqt | data/4R/4R42-P6G/4R42-P6G_decoys.pdbqt | data/4R/4R42-P6G/4R42-P6G_decoy_scores.csv |
4RU0-P3G | data/4R/4RU0-P3G/4RU0-P3G_ligand.pdbqt | data/4R/4RU0-P3G/4RU0-P3G_target.pdbqt | data/4R/4RU0-P3G/4RU0-P3G_decoys.pdbqt | data/4R/4RU0-P3G/4RU0-P3G_decoy_scores.csv |
4RSS-4MG | data/4R/4RSS-4MG/4RSS-4MG_ligand.pdbqt | data/4R/4RSS-4MG/4RSS-4MG_target.pdbqt | data/4R/4RSS-4MG/4RSS-4MG_decoys.pdbqt | data/4R/4RSS-4MG/4RSS-4MG_decoy_scores.csv |
4RI2-BNG | data/4R/4RI2-BNG/4RI2-BNG_ligand.pdbqt | data/4R/4RI2-BNG/4RI2-BNG_target.pdbqt | data/4R/4RI2-BNG/4RI2-BNG_decoys.pdbqt | data/4R/4RI2-BNG/4RI2-BNG_decoy_scores.csv |
4RL2-3S3 | data/4R/4RL2-3S3/4RL2-3S3_ligand.pdbqt | data/4R/4RL2-3S3/4RL2-3S3_target.pdbqt | data/4R/4RL2-3S3/4RL2-3S3_decoys.pdbqt | data/4R/4RL2-3S3/4RL2-3S3_decoy_scores.csv |
4RLF-4MA | data/4R/4RLF-4MA/4RLF-4MA_ligand.pdbqt | data/4R/4RLF-4MA/4RLF-4MA_target.pdbqt | data/4R/4RLF-4MA/4RLF-4MA_decoys.pdbqt | data/4R/4RLF-4MA/4RLF-4MA_decoy_scores.csv |
4RVH-SAH | data/4R/4RVH-SAH/4RVH-SAH_ligand.pdbqt | data/4R/4RVH-SAH/4RVH-SAH_target.pdbqt | data/4R/4RVH-SAH/4RVH-SAH_decoys.pdbqt | data/4R/4RVH-SAH/4RVH-SAH_decoy_scores.csv |
4RVI-G52 | data/4R/4RVI-G52/4RVI-G52_ligand.pdbqt | data/4R/4RVI-G52/4RVI-G52_target.pdbqt | data/4R/4RVI-G52/4RVI-G52_decoys.pdbqt | data/4R/4RVI-G52/4RVI-G52_decoy_scores.csv |
4RME-3T2 | data/4R/4RME-3T2/4RME-3T2_ligand.pdbqt | data/4R/4RME-3T2/4RME-3T2_target.pdbqt | data/4R/4RME-3T2/4RME-3T2_decoys.pdbqt | data/4R/4RME-3T2/4RME-3T2_decoy_scores.csv |
4RV8-I13 | data/4R/4RV8-I13/4RV8-I13_ligand.pdbqt | data/4R/4RV8-I13/4RV8-I13_target.pdbqt | data/4R/4RV8-I13/4RV8-I13_decoys.pdbqt | data/4R/4RV8-I13/4RV8-I13_decoy_scores.csv |
4RMI-3TK | data/4R/4RMI-3TK/4RMI-3TK_ligand.pdbqt | data/4R/4RMI-3TK/4RMI-3TK_target.pdbqt | data/4R/4RMI-3TK/4RMI-3TK_decoys.pdbqt | data/4R/4RMI-3TK/4RMI-3TK_decoy_scores.csv |
4RRA-A3T | data/4R/4RRA-A3T/4RRA-A3T_ligand.pdbqt | data/4R/4RRA-A3T/4RRA-A3T_target.pdbqt | data/4R/4RRA-A3T/4RRA-A3T_decoys.pdbqt | data/4R/4RRA-A3T/4RRA-A3T_decoy_scores.csv |
4RUJ-VDX | data/4R/4RUJ-VDX/4RUJ-VDX_ligand.pdbqt | data/4R/4RUJ-VDX/4RUJ-VDX_target.pdbqt | data/4R/4RUJ-VDX/4RUJ-VDX_decoys.pdbqt | data/4R/4RUJ-VDX/4RUJ-VDX_decoy_scores.csv |
4RD6-GDP | data/4R/4RD6-GDP/4RD6-GDP_ligand.pdbqt | data/4R/4RD6-GDP/4RD6-GDP_target.pdbqt | data/4R/4RD6-GDP/4RD6-GDP_decoys.pdbqt | data/4R/4RD6-GDP/4RD6-GDP_decoy_scores.csv |
4RRR-A3T | data/4R/4RRR-A3T/4RRR-A3T_ligand.pdbqt | data/4R/4RRR-A3T/4RRR-A3T_target.pdbqt | data/4R/4RRR-A3T/4RRR-A3T_decoys.pdbqt | data/4R/4RRR-A3T/4RRR-A3T_decoy_scores.csv |
4RR4-FMN | data/4R/4RR4-FMN/4RR4-FMN_ligand.pdbqt | data/4R/4RR4-FMN/4RR4-FMN_target.pdbqt | data/4R/4RR4-FMN/4RR4-FMN_decoys.pdbqt | data/4R/4RR4-FMN/4RR4-FMN_decoy_scores.csv |
4RYO-MPG | data/4R/4RYO-MPG/4RYO-MPG_ligand.pdbqt | data/4R/4RYO-MPG/4RYO-MPG_target.pdbqt | data/4R/4RYO-MPG/4RYO-MPG_decoys.pdbqt | data/4R/4RYO-MPG/4RYO-MPG_decoy_scores.csv |
4RC7-PL3 | data/4R/4RC7-PL3/4RC7-PL3_ligand.pdbqt | data/4R/4RC7-PL3/4RC7-PL3_target.pdbqt | data/4R/4RC7-PL3/4RC7-PL3_decoys.pdbqt | data/4R/4RC7-PL3/4RC7-PL3_decoy_scores.csv |
4R06-3E7 | data/4R/4R06-3E7/4R06-3E7_ligand.pdbqt | data/4R/4R06-3E7/4R06-3E7_target.pdbqt | data/4R/4R06-3E7/4R06-3E7_decoys.pdbqt | data/4R/4R06-3E7/4R06-3E7_decoy_scores.csv |
4RVM-3X7 | data/4R/4RVM-3X7/4RVM-3X7_ligand.pdbqt | data/4R/4RVM-3X7/4RVM-3X7_target.pdbqt | data/4R/4RVM-3X7/4RVM-3X7_decoys.pdbqt | data/4R/4RVM-3X7/4RVM-3X7_decoy_scores.csv |
4RG0-3P0 | data/4R/4RG0-3P0/4RG0-3P0_ligand.pdbqt | data/4R/4RG0-3P0/4RG0-3P0_target.pdbqt | data/4R/4RG0-3P0/4RG0-3P0_decoys.pdbqt | data/4R/4RG0-3P0/4RG0-3P0_decoy_scores.csv |
4RRN-3UW | data/4R/4RRN-3UW/4RRN-3UW_ligand.pdbqt | data/4R/4RRN-3UW/4RRN-3UW_target.pdbqt | data/4R/4RRN-3UW/4RRN-3UW_decoys.pdbqt | data/4R/4RRN-3UW/4RRN-3UW_decoy_scores.csv |
4RZQ-Y7Y | data/4R/4RZQ-Y7Y/4RZQ-Y7Y_ligand.pdbqt | data/4R/4RZQ-Y7Y/4RZQ-Y7Y_target.pdbqt | data/4R/4RZQ-Y7Y/4RZQ-Y7Y_decoys.pdbqt | data/4R/4RZQ-Y7Y/4RZQ-Y7Y_decoy_scores.csv |
4RJ3-3QS | data/4R/4RJ3-3QS/4RJ3-3QS_ligand.pdbqt | data/4R/4RJ3-3QS/4RJ3-3QS_target.pdbqt | data/4R/4RJ3-3QS/4RJ3-3QS_decoys.pdbqt | data/4R/4RJ3-3QS/4RJ3-3QS_decoy_scores.csv |
4R1V-3E8 | data/4R/4R1V-3E8/4R1V-3E8_ligand.pdbqt | data/4R/4R1V-3E8/4R1V-3E8_target.pdbqt | data/4R/4R1V-3E8/4R1V-3E8_decoys.pdbqt | data/4R/4R1V-3E8/4R1V-3E8_decoy_scores.csv |
4R1M-AMP | data/4R/4R1M-AMP/4R1M-AMP_ligand.pdbqt | data/4R/4R1M-AMP/4R1M-AMP_target.pdbqt | data/4R/4R1M-AMP/4R1M-AMP_decoys.pdbqt | data/4R/4R1M-AMP/4R1M-AMP_decoy_scores.csv |
4RFD-3O5 | data/4R/4RFD-3O5/4RFD-3O5_ligand.pdbqt | data/4R/4RFD-3O5/4RFD-3O5_target.pdbqt | data/4R/4RFD-3O5/4RFD-3O5_decoys.pdbqt | data/4R/4RFD-3O5/4RFD-3O5_decoy_scores.csv |
4R3C-3GF | data/4R/4R3C-3GF/4R3C-3GF_ligand.pdbqt | data/4R/4R3C-3GF/4R3C-3GF_target.pdbqt | data/4R/4R3C-3GF/4R3C-3GF_decoys.pdbqt | data/4R/4R3C-3GF/4R3C-3GF_decoy_scores.csv |
4RQL-CM5 | data/4R/4RQL-CM5/4RQL-CM5_ligand.pdbqt | data/4R/4RQL-CM5/4RQL-CM5_target.pdbqt | data/4R/4RQL-CM5/4RQL-CM5_decoys.pdbqt | data/4R/4RQL-CM5/4RQL-CM5_decoy_scores.csv |
4RJK-TDL | data/4R/4RJK-TDL/4RJK-TDL_ligand.pdbqt | data/4R/4RJK-TDL/4RJK-TDL_target.pdbqt | data/4R/4RJK-TDL/4RJK-TDL_decoys.pdbqt | data/4R/4RJK-TDL/4RJK-TDL_decoy_scores.csv |
4RUR-3WE | data/4R/4RUR-3WE/4RUR-3WE_ligand.pdbqt | data/4R/4RUR-3WE/4RUR-3WE_target.pdbqt | data/4R/4RUR-3WE/4RUR-3WE_decoys.pdbqt | data/4R/4RUR-3WE/4RUR-3WE_decoy_scores.csv |
4R68-NAI | data/4R/4R68-NAI/4R68-NAI_ligand.pdbqt | data/4R/4R68-NAI/4R68-NAI_target.pdbqt | data/4R/4R68-NAI/4R68-NAI_decoys.pdbqt | data/4R/4R68-NAI/4R68-NAI_decoy_scores.csv |
4R59-3J3 | data/4R/4R59-3J3/4R59-3J3_ligand.pdbqt | data/4R/4R59-3J3/4R59-3J3_target.pdbqt | data/4R/4R59-3J3/4R59-3J3_decoys.pdbqt | data/4R/4R59-3J3/4R59-3J3_decoy_scores.csv |
4RLW-BUN | data/4R/4RLW-BUN/4RLW-BUN_ligand.pdbqt | data/4R/4RLW-BUN/4RLW-BUN_target.pdbqt | data/4R/4RLW-BUN/4RLW-BUN_decoys.pdbqt | data/4R/4RLW-BUN/4RLW-BUN_decoy_scores.csv |
4RE2-MVL | data/4R/4RE2-MVL/4RE2-MVL_ligand.pdbqt | data/4R/4RE2-MVL/4RE2-MVL_target.pdbqt | data/4R/4RE2-MVL/4RE2-MVL_decoys.pdbqt | data/4R/4RE2-MVL/4RE2-MVL_decoy_scores.csv |
4RYR-MPG | data/4R/4RYR-MPG/4RYR-MPG_ligand.pdbqt | data/4R/4RYR-MPG/4RYR-MPG_target.pdbqt | data/4R/4RYR-MPG/4RYR-MPG_decoys.pdbqt | data/4R/4RYR-MPG/4RYR-MPG_decoy_scores.csv |
4RCH-3LZ | data/4R/4RCH-3LZ/4RCH-3LZ_ligand.pdbqt | data/4R/4RCH-3LZ/4RCH-3LZ_target.pdbqt | data/4R/4RCH-3LZ/4RCH-3LZ_decoys.pdbqt | data/4R/4RCH-3LZ/4RCH-3LZ_decoy_scores.csv |
4R9I-FLC | data/4R/4R9I-FLC/4R9I-FLC_ligand.pdbqt | data/4R/4R9I-FLC/4R9I-FLC_target.pdbqt | data/4R/4R9I-FLC/4R9I-FLC_decoys.pdbqt | data/4R/4R9I-FLC/4R9I-FLC_decoy_scores.csv |
4R5Z-PMP | data/4R/4R5Z-PMP/4R5Z-PMP_ligand.pdbqt | data/4R/4R5Z-PMP/4R5Z-PMP_target.pdbqt | data/4R/4R5Z-PMP/4R5Z-PMP_decoys.pdbqt | data/4R/4R5Z-PMP/4R5Z-PMP_decoy_scores.csv |
4RGX-DHB | data/4R/4RGX-DHB/4RGX-DHB_ligand.pdbqt | data/4R/4RGX-DHB/4RGX-DHB_target.pdbqt | data/4R/4RGX-DHB/4RGX-DHB_decoys.pdbqt | data/4R/4RGX-DHB/4RGX-DHB_decoy_scores.csv |
4R1G-CXU | data/4R/4R1G-CXU/4R1G-CXU_ligand.pdbqt | data/4R/4R1G-CXU/4R1G-CXU_target.pdbqt | data/4R/4R1G-CXU/4R1G-CXU_decoys.pdbqt | data/4R/4R1G-CXU/4R1G-CXU_decoy_scores.csv |
4RPE-8PE | data/4R/4RPE-8PE/4RPE-8PE_ligand.pdbqt | data/4R/4RPE-8PE/4RPE-8PE_target.pdbqt | data/4R/4RPE-8PE/4RPE-8PE_decoys.pdbqt | data/4R/4RPE-8PE/4RPE-8PE_decoy_scores.csv |
4RAM-PNM | data/4R/4RAM-PNM/4RAM-PNM_ligand.pdbqt | data/4R/4RAM-PNM/4RAM-PNM_target.pdbqt | data/4R/4RAM-PNM/4RAM-PNM_decoys.pdbqt | data/4R/4RAM-PNM/4RAM-PNM_decoy_scores.csv |
4RHY-3QG | data/4R/4RHY-3QG/4RHY-3QG_ligand.pdbqt | data/4R/4RHY-3QG/4RHY-3QG_target.pdbqt | data/4R/4RHY-3QG/4RHY-3QG_decoys.pdbqt | data/4R/4RHY-3QG/4RHY-3QG_decoy_scores.csv |
4RCE-3LN | data/4R/4RCE-3LN/4RCE-3LN_ligand.pdbqt | data/4R/4RCE-3LN/4RCE-3LN_target.pdbqt | data/4R/4RCE-3LN/4RCE-3LN_decoys.pdbqt | data/4R/4RCE-3LN/4RCE-3LN_decoy_scores.csv |
4RP9-ASC | data/4R/4RP9-ASC/4RP9-ASC_ligand.pdbqt | data/4R/4RP9-ASC/4RP9-ASC_target.pdbqt | data/4R/4RP9-ASC/4RP9-ASC_decoys.pdbqt | data/4R/4RP9-ASC/4RP9-ASC_decoy_scores.csv |
4R2N-PHE | data/4R/4R2N-PHE/4R2N-PHE_ligand.pdbqt | data/4R/4R2N-PHE/4R2N-PHE_target.pdbqt | data/4R/4R2N-PHE/4R2N-PHE_decoys.pdbqt | data/4R/4R2N-PHE/4R2N-PHE_decoy_scores.csv |
4RK0-RIB | data/4R/4RK0-RIB/4RK0-RIB_ligand.pdbqt | data/4R/4RK0-RIB/4RK0-RIB_target.pdbqt | data/4R/4RK0-RIB/4RK0-RIB_decoys.pdbqt | data/4R/4RK0-RIB/4RK0-RIB_decoy_scores.csv |
4RW3-OCA | data/4R/4RW3-OCA/4RW3-OCA_ligand.pdbqt | data/4R/4RW3-OCA/4RW3-OCA_target.pdbqt | data/4R/4RW3-OCA/4RW3-OCA_decoys.pdbqt | data/4R/4RW3-OCA/4RW3-OCA_decoy_scores.csv |
4R36-PE5 | data/4R/4R36-PE5/4R36-PE5_ligand.pdbqt | data/4R/4R36-PE5/4R36-PE5_target.pdbqt | data/4R/4R36-PE5/4R36-PE5_decoys.pdbqt | data/4R/4R36-PE5/4R36-PE5_decoy_scores.csv |
4RRQ-A3S | data/4R/4RRQ-A3S/4RRQ-A3S_ligand.pdbqt | data/4R/4RRQ-A3S/4RRQ-A3S_target.pdbqt | data/4R/4RRQ-A3S/4RRQ-A3S_decoys.pdbqt | data/4R/4RRQ-A3S/4RRQ-A3S_decoy_scores.csv |
4RPO-T6C | data/4R/4RPO-T6C/4RPO-T6C_ligand.pdbqt | data/4R/4RPO-T6C/4RPO-T6C_target.pdbqt | data/4R/4RPO-T6C/4RPO-T6C_decoys.pdbqt | data/4R/4RPO-T6C/4RPO-T6C_decoy_scores.csv |
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