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 ⌀ |
|---|---|---|---|---|
4R4I-3HV | data/4R/4R4I-3HV/4R4I-3HV_ligand.pdbqt | data/4R/4R4I-3HV/4R4I-3HV_target.pdbqt | data/4R/4R4I-3HV/4R4I-3HV_decoys.pdbqt | data/4R/4R4I-3HV/4R4I-3HV_decoy_scores.csv |
4RX3-FLC | data/4R/4RX3-FLC/4RX3-FLC_ligand.pdbqt | data/4R/4RX3-FLC/4RX3-FLC_target.pdbqt | data/4R/4RX3-FLC/4RX3-FLC_decoys.pdbqt | data/4R/4RX3-FLC/4RX3-FLC_decoy_scores.csv |
4RNQ-A4S | data/4R/4RNQ-A4S/4RNQ-A4S_ligand.pdbqt | data/4R/4RNQ-A4S/4RNQ-A4S_target.pdbqt | data/4R/4RNQ-A4S/4RNQ-A4S_decoys.pdbqt | data/4R/4RNQ-A4S/4RNQ-A4S_decoy_scores.csv |
4RYV-ZEA | data/4R/4RYV-ZEA/4RYV-ZEA_ligand.pdbqt | data/4R/4RYV-ZEA/4RYV-ZEA_target.pdbqt | data/4R/4RYV-ZEA/4RYV-ZEA_decoys.pdbqt | data/4R/4RYV-ZEA/4RYV-ZEA_decoy_scores.csv |
4RXU-BGC | data/4R/4RXU-BGC/4RXU-BGC_ligand.pdbqt | data/4R/4RXU-BGC/4RXU-BGC_target.pdbqt | data/4R/4RXU-BGC/4RXU-BGC_decoys.pdbqt | data/4R/4RXU-BGC/4RXU-BGC_decoy_scores.csv |
4RDI-ATP | data/4R/4RDI-ATP/4RDI-ATP_ligand.pdbqt | data/4R/4RDI-ATP/4RDI-ATP_target.pdbqt | data/4R/4RDI-ATP/4RDI-ATP_decoys.pdbqt | data/4R/4RDI-ATP/4RDI-ATP_decoy_scores.csv |
4RLL-E91 | data/4R/4RLL-E91/4RLL-E91_ligand.pdbqt | data/4R/4RLL-E91/4RLL-E91_target.pdbqt | data/4R/4RLL-E91/4RLL-E91_decoys.pdbqt | data/4R/4RLL-E91/4RLL-E91_decoy_scores.csv |
4RN2-L7G | data/4R/4RN2-L7G/4RN2-L7G_ligand.pdbqt | data/4R/4RN2-L7G/4RN2-L7G_target.pdbqt | data/4R/4RN2-L7G/4RN2-L7G_decoys.pdbqt | data/4R/4RN2-L7G/4RN2-L7G_decoy_scores.csv |
4RCY-GDP | data/4R/4RCY-GDP/4RCY-GDP_ligand.pdbqt | data/4R/4RCY-GDP/4RCY-GDP_target.pdbqt | data/4R/4RCY-GDP/4RCY-GDP_decoys.pdbqt | data/4R/4RCY-GDP/4RCY-GDP_decoy_scores.csv |
4RP8-BNG | data/4R/4RP8-BNG/4RP8-BNG_ligand.pdbqt | data/4R/4RP8-BNG/4RP8-BNG_target.pdbqt | data/4R/4RP8-BNG/4RP8-BNG_decoys.pdbqt | data/4R/4RP8-BNG/4RP8-BNG_decoy_scores.csv |
4ROS-APR | data/4R/4ROS-APR/4ROS-APR_ligand.pdbqt | data/4R/4ROS-APR/4ROS-APR_target.pdbqt | data/4R/4ROS-APR/4ROS-APR_decoys.pdbqt | data/4R/4ROS-APR/4ROS-APR_decoy_scores.csv |
4RPG-UDP | data/4R/4RPG-UDP/4RPG-UDP_ligand.pdbqt | data/4R/4RPG-UDP/4RPG-UDP_target.pdbqt | data/4R/4RPG-UDP/4RPG-UDP_decoys.pdbqt | data/4R/4RPG-UDP/4RPG-UDP_decoy_scores.csv |
4RK6-GLC | data/4R/4RK6-GLC/4RK6-GLC_ligand.pdbqt | data/4R/4RK6-GLC/4RK6-GLC_target.pdbqt | data/4R/4RK6-GLC/4RK6-GLC_decoys.pdbqt | data/4R/4RK6-GLC/4RK6-GLC_decoy_scores.csv |
4RCD-3LL | data/4R/4RCD-3LL/4RCD-3LL_ligand.pdbqt | data/4R/4RCD-3LL/4RCD-3LL_target.pdbqt | data/4R/4RCD-3LL/4RCD-3LL_decoys.pdbqt | data/4R/4RCD-3LL/4RCD-3LL_decoy_scores.csv |
4R5H-3JN | data/4R/4R5H-3JN/4R5H-3JN_ligand.pdbqt | data/4R/4R5H-3JN/4R5H-3JN_target.pdbqt | data/4R/4R5H-3JN/4R5H-3JN_decoys.pdbqt | data/4R/4R5H-3JN/4R5H-3JN_decoy_scores.csv |
4RYQ-MPG | data/4R/4RYQ-MPG/4RYQ-MPG_ligand.pdbqt | data/4R/4RYQ-MPG/4RYQ-MPG_target.pdbqt | data/4R/4RYQ-MPG/4RYQ-MPG_decoys.pdbqt | data/4R/4RYQ-MPG/4RYQ-MPG_decoy_scores.csv |
4RYL-3ZG | data/4R/4RYL-3ZG/4RYL-3ZG_ligand.pdbqt | data/4R/4RYL-3ZG/4RYL-3ZG_target.pdbqt | data/4R/4RYL-3ZG/4RYL-3ZG_decoys.pdbqt | data/4R/4RYL-3ZG/4RYL-3ZG_decoy_scores.csv |
4RRD-A3T | data/4R/4RRD-A3T/4RRD-A3T_ligand.pdbqt | data/4R/4RRD-A3T/4RRD-A3T_target.pdbqt | data/4R/4RRD-A3T/4RRD-A3T_decoys.pdbqt | data/4R/4RRD-A3T/4RRD-A3T_decoy_scores.csv |
4RW3-PLM | data/4R/4RW3-PLM/4RW3-PLM_ligand.pdbqt | data/4R/4RW3-PLM/4RW3-PLM_target.pdbqt | data/4R/4RW3-PLM/4RW3-PLM_decoys.pdbqt | data/4R/4RW3-PLM/4RW3-PLM_decoy_scores.csv |
4RFZ-3OV | data/4R/4RFZ-3OV/4RFZ-3OV_ligand.pdbqt | data/4R/4RFZ-3OV/4RFZ-3OV_target.pdbqt | data/4R/4RFZ-3OV/4RFZ-3OV_decoys.pdbqt | data/4R/4RFZ-3OV/4RFZ-3OV_decoy_scores.csv |
4RAD-3L5 | data/4R/4RAD-3L5/4RAD-3L5_ligand.pdbqt | data/4R/4RAD-3L5/4RAD-3L5_target.pdbqt | data/4R/4RAD-3L5/4RAD-3L5_decoys.pdbqt | data/4R/4RAD-3L5/4RAD-3L5_decoy_scores.csv |
4RKO-0G6 | data/4R/4RKO-0G6/4RKO-0G6_ligand.pdbqt | data/4R/4RKO-0G6/4RKO-0G6_target.pdbqt | data/4R/4RKO-0G6/4RKO-0G6_decoys.pdbqt | data/4R/4RKO-0G6/4RKO-0G6_decoy_scores.csv |
4RBM-HIS | data/4R/4RBM-HIS/4RBM-HIS_ligand.pdbqt | data/4R/4RBM-HIS/4RBM-HIS_target.pdbqt | data/4R/4RBM-HIS/4RBM-HIS_decoys.pdbqt | data/4R/4RBM-HIS/4RBM-HIS_decoy_scores.csv |
4R68-W31 | data/4R/4R68-W31/4R68-W31_ligand.pdbqt | data/4R/4R68-W31/4R68-W31_target.pdbqt | data/4R/4R68-W31/4R68-W31_decoys.pdbqt | data/4R/4R68-W31/4R68-W31_decoy_scores.csv |
4RQV-ATP | data/4R/4RQV-ATP/4RQV-ATP_ligand.pdbqt | data/4R/4RQV-ATP/4RQV-ATP_target.pdbqt | data/4R/4RQV-ATP/4RQV-ATP_decoys.pdbqt | data/4R/4RQV-ATP/4RQV-ATP_decoy_scores.csv |
4R3B-3GE | data/4R/4R3B-3GE/4R3B-3GE_ligand.pdbqt | data/4R/4R3B-3GE/4R3B-3GE_target.pdbqt | data/4R/4R3B-3GE/4R3B-3GE_decoys.pdbqt | data/4R/4R3B-3GE/4R3B-3GE_decoy_scores.csv |
4RXP-DTP | data/4R/4RXP-DTP/4RXP-DTP_ligand.pdbqt | data/4R/4RXP-DTP/4RXP-DTP_target.pdbqt | data/4R/4RXP-DTP/4RXP-DTP_decoys.pdbqt | data/4R/4RXP-DTP/4RXP-DTP_decoy_scores.csv |
4R5B-3J4 | data/4R/4R5B-3J4/4R5B-3J4_ligand.pdbqt | data/4R/4R5B-3J4/4R5B-3J4_target.pdbqt | data/4R/4R5B-3J4/4R5B-3J4_decoys.pdbqt | data/4R/4R5B-3J4/4R5B-3J4_decoy_scores.csv |
4RJD-TFP | data/4R/4RJD-TFP/4RJD-TFP_ligand.pdbqt | data/4R/4RJD-TFP/4RJD-TFP_target.pdbqt | data/4R/4RJD-TFP/4RJD-TFP_decoys.pdbqt | data/4R/4RJD-TFP/4RJD-TFP_decoy_scores.csv |
4RYN-MPG | data/4R/4RYN-MPG/4RYN-MPG_ligand.pdbqt | data/4R/4RYN-MPG/4RYN-MPG_target.pdbqt | data/4R/4RYN-MPG/4RYN-MPG_decoys.pdbqt | data/4R/4RYN-MPG/4RYN-MPG_decoy_scores.csv |
4R6W-SAH | data/4R/4R6W-SAH/4R6W-SAH_ligand.pdbqt | data/4R/4R6W-SAH/4R6W-SAH_target.pdbqt | data/4R/4R6W-SAH/4R6W-SAH_decoys.pdbqt | data/4R/4R6W-SAH/4R6W-SAH_decoy_scores.csv |
4RXQ-GTP | data/4R/4RXQ-GTP/4RXQ-GTP_ligand.pdbqt | data/4R/4RXQ-GTP/4RXQ-GTP_target.pdbqt | data/4R/4RXQ-GTP/4RXQ-GTP_decoys.pdbqt | data/4R/4RXQ-GTP/4RXQ-GTP_decoy_scores.csv |
4R3W-3GQ | data/4R/4R3W-3GQ/4R3W-3GQ_ligand.pdbqt | data/4R/4R3W-3GQ/4R3W-3GQ_target.pdbqt | data/4R/4R3W-3GQ/4R3W-3GQ_decoys.pdbqt | data/4R/4R3W-3GQ/4R3W-3GQ_decoy_scores.csv |
4RDW-NGQ | data/4R/4RDW-NGQ/4RDW-NGQ_ligand.pdbqt | data/4R/4RDW-NGQ/4RDW-NGQ_target.pdbqt | data/4R/4RDW-NGQ/4RDW-NGQ_decoys.pdbqt | data/4R/4RDW-NGQ/4RDW-NGQ_decoy_scores.csv |
4R5N-3J9 | data/4R/4R5N-3J9/4R5N-3J9_ligand.pdbqt | data/4R/4R5N-3J9/4R5N-3J9_target.pdbqt | data/4R/4R5N-3J9/4R5N-3J9_decoys.pdbqt | data/4R/4R5N-3J9/4R5N-3J9_decoy_scores.csv |
4R95-3KW | data/4R/4R95-3KW/4R95-3KW_ligand.pdbqt | data/4R/4R95-3KW/4R95-3KW_target.pdbqt | data/4R/4R95-3KW/4R95-3KW_decoys.pdbqt | data/4R/4R95-3KW/4R95-3KW_decoy_scores.csv |
4RMJ-AR6 | data/4R/4RMJ-AR6/4RMJ-AR6_ligand.pdbqt | data/4R/4RMJ-AR6/4RMJ-AR6_target.pdbqt | data/4R/4RMJ-AR6/4RMJ-AR6_decoys.pdbqt | data/4R/4RMJ-AR6/4RMJ-AR6_decoy_scores.csv |
4RT1-C2E | data/4R/4RT1-C2E/4RT1-C2E_ligand.pdbqt | data/4R/4RT1-C2E/4RT1-C2E_target.pdbqt | data/4R/4RT1-C2E/4RT1-C2E_decoys.pdbqt | data/4R/4RT1-C2E/4RT1-C2E_decoy_scores.csv |
4RKC-PMP | data/4R/4RKC-PMP/4RKC-PMP_ligand.pdbqt | data/4R/4RKC-PMP/4RKC-PMP_target.pdbqt | data/4R/4RKC-PMP/4RKC-PMP_decoys.pdbqt | data/4R/4RKC-PMP/4RKC-PMP_decoy_scores.csv |
4RIV-LSA | data/4R/4RIV-LSA/4RIV-LSA_ligand.pdbqt | data/4R/4RIV-LSA/4RIV-LSA_target.pdbqt | data/4R/4RIV-LSA/4RIV-LSA_decoys.pdbqt | data/4R/4RIV-LSA/4RIV-LSA_decoy_scores.csv |
4RSY-B3N | data/4R/4RSY-B3N/4RSY-B3N_ligand.pdbqt | data/4R/4RSY-B3N/4RSY-B3N_target.pdbqt | null | null |
4RMG-3TE | data/4R/4RMG-3TE/4RMG-3TE_ligand.pdbqt | data/4R/4RMG-3TE/4RMG-3TE_target.pdbqt | data/4R/4RMG-3TE/4RMG-3TE_decoys.pdbqt | data/4R/4RMG-3TE/4RMG-3TE_decoy_scores.csv |
4R37-PE5 | data/4R/4R37-PE5/4R37-PE5_ligand.pdbqt | data/4R/4R37-PE5/4R37-PE5_target.pdbqt | data/4R/4R37-PE5/4R37-PE5_decoys.pdbqt | data/4R/4R37-PE5/4R37-PE5_decoy_scores.csv |
4R6N-MBG | data/4R/4R6N-MBG/4R6N-MBG_ligand.pdbqt | data/4R/4R6N-MBG/4R6N-MBG_target.pdbqt | data/4R/4R6N-MBG/4R6N-MBG_decoys.pdbqt | data/4R/4R6N-MBG/4R6N-MBG_decoy_scores.csv |
4RGQ-13P | data/4R/4RGQ-13P/4RGQ-13P_ligand.pdbqt | data/4R/4RGQ-13P/4RGQ-13P_target.pdbqt | data/4R/4RGQ-13P/4RGQ-13P_decoys.pdbqt | data/4R/4RGQ-13P/4RGQ-13P_decoy_scores.csv |
4RLU-HCC | data/4R/4RLU-HCC/4RLU-HCC_ligand.pdbqt | data/4R/4RLU-HCC/4RLU-HCC_target.pdbqt | data/4R/4RLU-HCC/4RLU-HCC_decoys.pdbqt | data/4R/4RLU-HCC/4RLU-HCC_decoy_scores.csv |
4R8Q-ADP | data/4R/4R8Q-ADP/4R8Q-ADP_ligand.pdbqt | data/4R/4R8Q-ADP/4R8Q-ADP_target.pdbqt | data/4R/4R8Q-ADP/4R8Q-ADP_decoys.pdbqt | data/4R/4R8Q-ADP/4R8Q-ADP_decoy_scores.csv |
4RUU-RET | data/4R/4RUU-RET/4RUU-RET_ligand.pdbqt | data/4R/4RUU-RET/4RUU-RET_target.pdbqt | data/4R/4RUU-RET/4RUU-RET_decoys.pdbqt | data/4R/4RUU-RET/4RUU-RET_decoy_scores.csv |
4RLJ-P33 | data/4R/4RLJ-P33/4RLJ-P33_ligand.pdbqt | data/4R/4RLJ-P33/4RLJ-P33_target.pdbqt | data/4R/4RLJ-P33/4RLJ-P33_decoys.pdbqt | data/4R/4RLJ-P33/4RLJ-P33_decoy_scores.csv |
4RPL-3UC | data/4R/4RPL-3UC/4RPL-3UC_ligand.pdbqt | data/4R/4RPL-3UC/4RPL-3UC_target.pdbqt | data/4R/4RPL-3UC/4RPL-3UC_decoys.pdbqt | data/4R/4RPL-3UC/4RPL-3UC_decoy_scores.csv |
4RRF-A3S | data/4R/4RRF-A3S/4RRF-A3S_ligand.pdbqt | data/4R/4RRF-A3S/4RRF-A3S_target.pdbqt | data/4R/4RRF-A3S/4RRF-A3S_decoys.pdbqt | data/4R/4RRF-A3S/4RRF-A3S_decoy_scores.csv |
4R74-F6P | data/4R/4R74-F6P/4R74-F6P_ligand.pdbqt | data/4R/4R74-F6P/4R74-F6P_target.pdbqt | data/4R/4R74-F6P/4R74-F6P_decoys.pdbqt | data/4R/4R74-F6P/4R74-F6P_decoy_scores.csv |
4RX0-D65 | data/4R/4RX0-D65/4RX0-D65_ligand.pdbqt | data/4R/4RX0-D65/4RX0-D65_target.pdbqt | data/4R/4RX0-D65/4RX0-D65_decoys.pdbqt | data/4R/4RX0-D65/4RX0-D65_decoy_scores.csv |
4RVJ-478 | data/4R/4RVJ-478/4RVJ-478_ligand.pdbqt | data/4R/4RVJ-478/4RVJ-478_target.pdbqt | data/4R/4RVJ-478/4RVJ-478_decoys.pdbqt | data/4R/4RVJ-478/4RVJ-478_decoy_scores.csv |
4RJL-GCP | data/4R/4RJL-GCP/4RJL-GCP_ligand.pdbqt | data/4R/4RJL-GCP/4RJL-GCP_target.pdbqt | data/4R/4RJL-GCP/4RJL-GCP_decoys.pdbqt | data/4R/4RJL-GCP/4RJL-GCP_decoy_scores.csv |
4R2B-GLC | data/4R/4R2B-GLC/4R2B-GLC_ligand.pdbqt | data/4R/4R2B-GLC/4R2B-GLC_target.pdbqt | data/4R/4R2B-GLC/4R2B-GLC_decoys.pdbqt | data/4R/4R2B-GLC/4R2B-GLC_decoy_scores.csv |
4RC2-3O8 | data/4R/4RC2-3O8/4RC2-3O8_ligand.pdbqt | data/4R/4RC2-3O8/4RC2-3O8_target.pdbqt | data/4R/4RC2-3O8/4RC2-3O8_decoys.pdbqt | data/4R/4RC2-3O8/4RC2-3O8_decoy_scores.csv |
4RNG-OLC | data/4R/4RNG-OLC/4RNG-OLC_ligand.pdbqt | data/4R/4RNG-OLC/4RNG-OLC_target.pdbqt | data/4R/4RNG-OLC/4RNG-OLC_decoys.pdbqt | data/4R/4RNG-OLC/4RNG-OLC_decoy_scores.csv |
4RRB-A3T | data/4R/4RRB-A3T/4RRB-A3T_ligand.pdbqt | data/4R/4RRB-A3T/4RRB-A3T_target.pdbqt | data/4R/4RRB-A3T/4RRB-A3T_decoys.pdbqt | data/4R/4RRB-A3T/4RRB-A3T_decoy_scores.csv |
4RUZ-3W8 | data/4R/4RUZ-3W8/4RUZ-3W8_ligand.pdbqt | data/4R/4RUZ-3W8/4RUZ-3W8_target.pdbqt | data/4R/4RUZ-3W8/4RUZ-3W8_decoys.pdbqt | data/4R/4RUZ-3W8/4RUZ-3W8_decoy_scores.csv |
4RE4-IFM | data/4R/4RE4-IFM/4RE4-IFM_ligand.pdbqt | data/4R/4RE4-IFM/4RE4-IFM_target.pdbqt | data/4R/4RE4-IFM/4RE4-IFM_decoys.pdbqt | data/4R/4RE4-IFM/4RE4-IFM_decoy_scores.csv |
4RKZ-ADP | data/4R/4RKZ-ADP/4RKZ-ADP_ligand.pdbqt | data/4R/4RKZ-ADP/4RKZ-ADP_target.pdbqt | data/4R/4RKZ-ADP/4RKZ-ADP_decoys.pdbqt | data/4R/4RKZ-ADP/4RKZ-ADP_decoy_scores.csv |
4RRS-3UY | data/4R/4RRS-3UY/4RRS-3UY_ligand.pdbqt | data/4R/4RRS-3UY/4RRS-3UY_target.pdbqt | data/4R/4RRS-3UY/4RRS-3UY_decoys.pdbqt | data/4R/4RRS-3UY/4RRS-3UY_decoy_scores.csv |
4RZ7-1E8 | data/4R/4RZ7-1E8/4RZ7-1E8_ligand.pdbqt | data/4R/4RZ7-1E8/4RZ7-1E8_target.pdbqt | data/4R/4RZ7-1E8/4RZ7-1E8_decoys.pdbqt | data/4R/4RZ7-1E8/4RZ7-1E8_decoy_scores.csv |
4RLI-3SH | data/4R/4RLI-3SH/4RLI-3SH_ligand.pdbqt | data/4R/4RLI-3SH/4RLI-3SH_target.pdbqt | data/4R/4RLI-3SH/4RLI-3SH_decoys.pdbqt | data/4R/4RLI-3SH/4RLI-3SH_decoy_scores.csv |
4R3C-GG5 | data/4R/4R3C-GG5/4R3C-GG5_ligand.pdbqt | data/4R/4R3C-GG5/4R3C-GG5_target.pdbqt | data/4R/4R3C-GG5/4R3C-GG5_decoys.pdbqt | data/4R/4R3C-GG5/4R3C-GG5_decoy_scores.csv |
4RXC-HRX | data/4R/4RXC-HRX/4RXC-HRX_ligand.pdbqt | data/4R/4RXC-HRX/4RXC-HRX_target.pdbqt | data/4R/4RXC-HRX/4RXC-HRX_decoys.pdbqt | data/4R/4RXC-HRX/4RXC-HRX_decoy_scores.csv |
4RXQ-DUT | data/4R/4RXQ-DUT/4RXQ-DUT_ligand.pdbqt | data/4R/4RXQ-DUT/4RXQ-DUT_target.pdbqt | data/4R/4RXQ-DUT/4RXQ-DUT_decoys.pdbqt | data/4R/4RXQ-DUT/4RXQ-DUT_decoy_scores.csv |
4RMD-3SW | data/4R/4RMD-3SW/4RMD-3SW_ligand.pdbqt | data/4R/4RMD-3SW/4RMD-3SW_target.pdbqt | data/4R/4RMD-3SW/4RMD-3SW_decoys.pdbqt | data/4R/4RMD-3SW/4RMD-3SW_decoy_scores.csv |
4R8S-SFG | data/4R/4R8S-SFG/4R8S-SFG_ligand.pdbqt | data/4R/4R8S-SFG/4R8S-SFG_target.pdbqt | data/4R/4R8S-SFG/4R8S-SFG_decoys.pdbqt | data/4R/4R8S-SFG/4R8S-SFG_decoy_scores.csv |
4R2U-3JX | data/4R/4R2U-3JX/4R2U-3JX_ligand.pdbqt | data/4R/4R2U-3JX/4R2U-3JX_target.pdbqt | data/4R/4R2U-3JX/4R2U-3JX_decoys.pdbqt | data/4R/4R2U-3JX/4R2U-3JX_decoy_scores.csv |
4RX8-3YX | data/4R/4RX8-3YX/4RX8-3YX_ligand.pdbqt | data/4R/4RX8-3YX/4RX8-3YX_target.pdbqt | data/4R/4RX8-3YX/4RX8-3YX_decoys.pdbqt | data/4R/4RX8-3YX/4RX8-3YX_decoy_scores.csv |
4RX9-3YT | data/4R/4RX9-3YT/4RX9-3YT_ligand.pdbqt | data/4R/4RX9-3YT/4RX9-3YT_target.pdbqt | data/4R/4RX9-3YT/4RX9-3YT_decoys.pdbqt | data/4R/4RX9-3YT/4RX9-3YT_decoy_scores.csv |
4RR7-A3S | data/4R/4RR7-A3S/4RR7-A3S_ligand.pdbqt | data/4R/4RR7-A3S/4RR7-A3S_target.pdbqt | data/4R/4RR7-A3S/4RR7-A3S_decoys.pdbqt | data/4R/4RR7-A3S/4RR7-A3S_decoy_scores.csv |
4R4J-3JL | data/4R/4R4J-3JL/4R4J-3JL_ligand.pdbqt | data/4R/4R4J-3JL/4R4J-3JL_target.pdbqt | data/4R/4R4J-3JL/4R4J-3JL_decoys.pdbqt | data/4R/4R4J-3JL/4R4J-3JL_decoy_scores.csv |
4RW3-DKA | data/4R/4RW3-DKA/4RW3-DKA_ligand.pdbqt | data/4R/4RW3-DKA/4RW3-DKA_target.pdbqt | data/4R/4RW3-DKA/4RW3-DKA_decoys.pdbqt | data/4R/4RW3-DKA/4RW3-DKA_decoy_scores.csv |
4RM2-3U4 | data/4R/4RM2-3U4/4RM2-3U4_ligand.pdbqt | data/4R/4RM2-3U4/4RM2-3U4_target.pdbqt | data/4R/4RM2-3U4/4RM2-3U4_decoys.pdbqt | data/4R/4RM2-3U4/4RM2-3U4_decoy_scores.csv |
4RLH-0WE | data/4R/4RLH-0WE/4RLH-0WE_ligand.pdbqt | data/4R/4RLH-0WE/4RLH-0WE_target.pdbqt | data/4R/4RLH-0WE/4RLH-0WE_decoys.pdbqt | data/4R/4RLH-0WE/4RLH-0WE_decoy_scores.csv |
4RW5-TDA | data/4R/4RW5-TDA/4RW5-TDA_ligand.pdbqt | data/4R/4RW5-TDA/4RW5-TDA_target.pdbqt | data/4R/4RW5-TDA/4RW5-TDA_decoys.pdbqt | data/4R/4RW5-TDA/4RW5-TDA_decoy_scores.csv |
4RXP-GTP | data/4R/4RXP-GTP/4RXP-GTP_ligand.pdbqt | data/4R/4RXP-GTP/4RXP-GTP_target.pdbqt | data/4R/4RXP-GTP/4RXP-GTP_decoys.pdbqt | data/4R/4RXP-GTP/4RXP-GTP_decoy_scores.csv |
4R4C-3HS | data/4R/4R4C-3HS/4R4C-3HS_ligand.pdbqt | data/4R/4R4C-3HS/4R4C-3HS_target.pdbqt | data/4R/4R4C-3HS/4R4C-3HS_decoys.pdbqt | data/4R/4R4C-3HS/4R4C-3HS_decoy_scores.csv |
4REI-3MV | data/4R/4REI-3MV/4REI-3MV_ligand.pdbqt | data/4R/4REI-3MV/4REI-3MV_target.pdbqt | data/4R/4REI-3MV/4REI-3MV_decoys.pdbqt | data/4R/4REI-3MV/4REI-3MV_decoy_scores.csv |
4RAJ-PG6 | data/4R/4RAJ-PG6/4RAJ-PG6_ligand.pdbqt | data/4R/4RAJ-PG6/4RAJ-PG6_target.pdbqt | data/4R/4RAJ-PG6/4RAJ-PG6_decoys.pdbqt | data/4R/4RAJ-PG6/4RAJ-PG6_decoy_scores.csv |
4RNW-FMN | data/4R/4RNW-FMN/4RNW-FMN_ligand.pdbqt | data/4R/4RNW-FMN/4RNW-FMN_target.pdbqt | data/4R/4RNW-FMN/4RNW-FMN_decoys.pdbqt | data/4R/4RNW-FMN/4RNW-FMN_decoy_scores.csv |
4RG3-BCN | data/4R/4RG3-BCN/4RG3-BCN_ligand.pdbqt | data/4R/4RG3-BCN/4RG3-BCN_target.pdbqt | data/4R/4RG3-BCN/4RG3-BCN_decoys.pdbqt | data/4R/4RG3-BCN/4RG3-BCN_decoy_scores.csv |
4RLE-2BA | data/4R/4RLE-2BA/4RLE-2BA_ligand.pdbqt | data/4R/4RLE-2BA/4RLE-2BA_target.pdbqt | data/4R/4RLE-2BA/4RLE-2BA_decoys.pdbqt | data/4R/4RLE-2BA/4RLE-2BA_decoy_scores.csv |
4RSG-GNP | data/4R/4RSG-GNP/4RSG-GNP_ligand.pdbqt | data/4R/4RSG-GNP/4RSG-GNP_target.pdbqt | null | null |
4RWW-2BA | data/4R/4RWW-2BA/4RWW-2BA_ligand.pdbqt | data/4R/4RWW-2BA/4RWW-2BA_target.pdbqt | data/4R/4RWW-2BA/4RWW-2BA_decoys.pdbqt | data/4R/4RWW-2BA/4RWW-2BA_decoy_scores.csv |
4RQ9-BLA | data/4R/4RQ9-BLA/4RQ9-BLA_ligand.pdbqt | data/4R/4RQ9-BLA/4RQ9-BLA_target.pdbqt | data/4R/4RQ9-BLA/4RQ9-BLA_decoys.pdbqt | data/4R/4RQ9-BLA/4RQ9-BLA_decoy_scores.csv |
4RC8-STE | data/4R/4RC8-STE/4RC8-STE_ligand.pdbqt | data/4R/4RC8-STE/4RC8-STE_target.pdbqt | data/4R/4RC8-STE/4RC8-STE_decoys.pdbqt | data/4R/4RC8-STE/4RC8-STE_decoy_scores.csv |
4RV3-INS | data/4R/4RV3-INS/4RV3-INS_ligand.pdbqt | data/4R/4RV3-INS/4RV3-INS_target.pdbqt | data/4R/4RV3-INS/4RV3-INS_decoys.pdbqt | data/4R/4RV3-INS/4RV3-INS_decoy_scores.csv |
4RZQ-ADP | data/4R/4RZQ-ADP/4RZQ-ADP_ligand.pdbqt | data/4R/4RZQ-ADP/4RZQ-ADP_target.pdbqt | data/4R/4RZQ-ADP/4RZQ-ADP_decoys.pdbqt | data/4R/4RZQ-ADP/4RZQ-ADP_decoy_scores.csv |
4RP9-BNG | data/4R/4RP9-BNG/4RP9-BNG_ligand.pdbqt | data/4R/4RP9-BNG/4RP9-BNG_target.pdbqt | data/4R/4RP9-BNG/4RP9-BNG_decoys.pdbqt | data/4R/4RP9-BNG/4RP9-BNG_decoy_scores.csv |
4R81-FMN | data/4R/4R81-FMN/4R81-FMN_ligand.pdbqt | data/4R/4R81-FMN/4R81-FMN_target.pdbqt | data/4R/4R81-FMN/4R81-FMN_decoys.pdbqt | data/4R/4R81-FMN/4R81-FMN_decoy_scores.csv |
4R91-3KT | data/4R/4R91-3KT/4R91-3KT_ligand.pdbqt | data/4R/4R91-3KT/4R91-3KT_target.pdbqt | data/4R/4R91-3KT/4R91-3KT_decoys.pdbqt | data/4R/4R91-3KT/4R91-3KT_decoy_scores.csv |
4RH2-FC9 | data/4R/4RH2-FC9/4RH2-FC9_ligand.pdbqt | data/4R/4RH2-FC9/4RH2-FC9_target.pdbqt | data/4R/4RH2-FC9/4RH2-FC9_decoys.pdbqt | data/4R/4RH2-FC9/4RH2-FC9_decoy_scores.csv |
4R2W-URI | data/4R/4R2W-URI/4R2W-URI_ligand.pdbqt | data/4R/4R2W-URI/4R2W-URI_target.pdbqt | data/4R/4R2W-URI/4R2W-URI_decoys.pdbqt | data/4R/4R2W-URI/4R2W-URI_decoy_scores.csv |
4RN4-3T7 | data/4R/4RN4-3T7/4RN4-3T7_ligand.pdbqt | data/4R/4RN4-3T7/4RN4-3T7_target.pdbqt | data/4R/4RN4-3T7/4RN4-3T7_decoys.pdbqt | data/4R/4RN4-3T7/4RN4-3T7_decoy_scores.csv |
4RSE-PLM | data/4R/4RSE-PLM/4RSE-PLM_ligand.pdbqt | data/4R/4RSE-PLM/4RSE-PLM_target.pdbqt | data/4R/4RSE-PLM/4RSE-PLM_decoys.pdbqt | data/4R/4RSE-PLM/4RSE-PLM_decoy_scores.csv |
4RGR-HC4 | data/4R/4RGR-HC4/4RGR-HC4_ligand.pdbqt | data/4R/4RGR-HC4/4RGR-HC4_target.pdbqt | data/4R/4RGR-HC4/4RGR-HC4_decoys.pdbqt | data/4R/4RGR-HC4/4RGR-HC4_decoy_scores.csv |
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