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 ⌀ |
|---|---|---|---|---|
3EVC-SAH | data/3E/3EVC-SAH/3EVC-SAH_ligand.pdbqt | data/3E/3EVC-SAH/3EVC-SAH_target.pdbqt | data/3E/3EVC-SAH/3EVC-SAH_decoys.pdbqt | data/3E/3EVC-SAH/3EVC-SAH_decoy_scores.csv |
3EKM-ZDR | data/3E/3EKM-ZDR/3EKM-ZDR_ligand.pdbqt | data/3E/3EKM-ZDR/3EKM-ZDR_target.pdbqt | data/3E/3EKM-ZDR/3EKM-ZDR_decoys.pdbqt | data/3E/3EKM-ZDR/3EKM-ZDR_decoy_scores.csv |
3ERD-DES | data/3E/3ERD-DES/3ERD-DES_ligand.pdbqt | data/3E/3ERD-DES/3ERD-DES_target.pdbqt | data/3E/3ERD-DES/3ERD-DES_decoys.pdbqt | data/3E/3ERD-DES/3ERD-DES_decoy_scores.csv |
3EN3-KAI | data/3E/3EN3-KAI/3EN3-KAI_ligand.pdbqt | data/3E/3EN3-KAI/3EN3-KAI_target.pdbqt | data/3E/3EN3-KAI/3EN3-KAI_decoys.pdbqt | data/3E/3EN3-KAI/3EN3-KAI_decoy_scores.csv |
3E9H-KAA | data/3E/3E9H-KAA/3E9H-KAA_ligand.pdbqt | data/3E/3E9H-KAA/3E9H-KAA_target.pdbqt | data/3E/3E9H-KAA/3E9H-KAA_decoys.pdbqt | data/3E/3E9H-KAA/3E9H-KAA_decoy_scores.csv |
3EJD-ZMQ | data/3E/3EJD-ZMQ/3EJD-ZMQ_ligand.pdbqt | data/3E/3EJD-ZMQ/3EJD-ZMQ_target.pdbqt | data/3E/3EJD-ZMQ/3EJD-ZMQ_decoys.pdbqt | data/3E/3EJD-ZMQ/3EJD-ZMQ_decoy_scores.csv |
3E6E-DCS | data/3E/3E6E-DCS/3E6E-DCS_ligand.pdbqt | data/3E/3E6E-DCS/3E6E-DCS_target.pdbqt | data/3E/3E6E-DCS/3E6E-DCS_decoys.pdbqt | data/3E/3E6E-DCS/3E6E-DCS_decoy_scores.csv |
3E6T-1A2 | data/3E/3E6T-1A2/3E6T-1A2_ligand.pdbqt | data/3E/3E6T-1A2/3E6T-1A2_target.pdbqt | data/3E/3E6T-1A2/3E6T-1A2_decoys.pdbqt | data/3E/3E6T-1A2/3E6T-1A2_decoy_scores.csv |
3EYK-EYK | data/3E/3EYK-EYK/3EYK-EYK_ligand.pdbqt | data/3E/3EYK-EYK/3EYK-EYK_target.pdbqt | data/3E/3EYK-EYK/3EYK-EYK_decoys.pdbqt | data/3E/3EYK-EYK/3EYK-EYK_decoy_scores.csv |
3EL5-1UN | data/3E/3EL5-1UN/3EL5-1UN_ligand.pdbqt | data/3E/3EL5-1UN/3EL5-1UN_target.pdbqt | data/3E/3EL5-1UN/3EL5-1UN_decoys.pdbqt | data/3E/3EL5-1UN/3EL5-1UN_decoy_scores.csv |
3EBF-H4B | data/3E/3EBF-H4B/3EBF-H4B_ligand.pdbqt | data/3E/3EBF-H4B/3EBF-H4B_target.pdbqt | data/3E/3EBF-H4B/3EBF-H4B_decoys.pdbqt | data/3E/3EBF-H4B/3EBF-H4B_decoy_scores.csv |
3EKZ-13P | data/3E/3EKZ-13P/3EKZ-13P_ligand.pdbqt | data/3E/3EKZ-13P/3EKZ-13P_target.pdbqt | data/3E/3EKZ-13P/3EKZ-13P_decoys.pdbqt | data/3E/3EKZ-13P/3EKZ-13P_decoy_scores.csv |
3EO7-FMN | data/3E/3EO7-FMN/3EO7-FMN_ligand.pdbqt | data/3E/3EO7-FMN/3EO7-FMN_target.pdbqt | data/3E/3EO7-FMN/3EO7-FMN_decoys.pdbqt | data/3E/3EO7-FMN/3EO7-FMN_decoy_scores.csv |
3EZ3-ZOL | data/3E/3EZ3-ZOL/3EZ3-ZOL_ligand.pdbqt | data/3E/3EZ3-ZOL/3EZ3-ZOL_target.pdbqt | data/3E/3EZ3-ZOL/3EZ3-ZOL_decoys.pdbqt | data/3E/3EZ3-ZOL/3EZ3-ZOL_decoy_scores.csv |
3E3T-I3C | data/3E/3E3T-I3C/3E3T-I3C_ligand.pdbqt | data/3E/3E3T-I3C/3E3T-I3C_target.pdbqt | data/3E/3E3T-I3C/3E3T-I3C_decoys.pdbqt | data/3E/3E3T-I3C/3E3T-I3C_decoy_scores.csv |
3EOS-PK2 | data/3E/3EOS-PK2/3EOS-PK2_ligand.pdbqt | data/3E/3EOS-PK2/3EOS-PK2_target.pdbqt | data/3E/3EOS-PK2/3EOS-PK2_decoys.pdbqt | data/3E/3EOS-PK2/3EOS-PK2_decoy_scores.csv |
3ETR-MTE | data/3E/3ETR-MTE/3ETR-MTE_ligand.pdbqt | data/3E/3ETR-MTE/3ETR-MTE_target.pdbqt | null | null |
3ESZ-FMN | data/3E/3ESZ-FMN/3ESZ-FMN_ligand.pdbqt | data/3E/3ESZ-FMN/3ESZ-FMN_target.pdbqt | data/3E/3ESZ-FMN/3ESZ-FMN_decoys.pdbqt | data/3E/3ESZ-FMN/3ESZ-FMN_decoy_scores.csv |
3E8S-SAH | data/3E/3E8S-SAH/3E8S-SAH_ligand.pdbqt | data/3E/3E8S-SAH/3E8S-SAH_target.pdbqt | data/3E/3E8S-SAH/3E8S-SAH_decoys.pdbqt | data/3E/3E8S-SAH/3E8S-SAH_decoy_scores.csv |
3EI6-PL4 | data/3E/3EI6-PL4/3EI6-PL4_ligand.pdbqt | data/3E/3EI6-PL4/3EI6-PL4_target.pdbqt | data/3E/3EI6-PL4/3EI6-PL4_decoys.pdbqt | data/3E/3EI6-PL4/3EI6-PL4_decoy_scores.csv |
3EVG-SAH | data/3E/3EVG-SAH/3EVG-SAH_ligand.pdbqt | data/3E/3EVG-SAH/3EVG-SAH_target.pdbqt | data/3E/3EVG-SAH/3EVG-SAH_decoys.pdbqt | data/3E/3EVG-SAH/3EVG-SAH_decoy_scores.csv |
3EAX-LZP | data/3E/3EAX-LZP/3EAX-LZP_ligand.pdbqt | data/3E/3EAX-LZP/3EAX-LZP_target.pdbqt | data/3E/3EAX-LZP/3EAX-LZP_decoys.pdbqt | data/3E/3EAX-LZP/3EAX-LZP_decoy_scores.csv |
3EX4-BMP | data/3E/3EX4-BMP/3EX4-BMP_ligand.pdbqt | data/3E/3EX4-BMP/3EX4-BMP_target.pdbqt | data/3E/3EX4-BMP/3EX4-BMP_decoys.pdbqt | data/3E/3EX4-BMP/3EX4-BMP_decoy_scores.csv |
3EHJ-ACP | data/3E/3EHJ-ACP/3EHJ-ACP_ligand.pdbqt | data/3E/3EHJ-ACP/3EHJ-ACP_target.pdbqt | data/3E/3EHJ-ACP/3EHJ-ACP_decoys.pdbqt | data/3E/3EHJ-ACP/3EHJ-ACP_decoy_scores.csv |
3ENV-ABF | data/3E/3ENV-ABF/3ENV-ABF_ligand.pdbqt | data/3E/3ENV-ABF/3ENV-ABF_target.pdbqt | data/3E/3ENV-ABF/3ENV-ABF_decoys.pdbqt | data/3E/3ENV-ABF/3ENV-ABF_decoy_scores.csv |
3E3H-EBP | data/3E/3E3H-EBP/3E3H-EBP_ligand.pdbqt | data/3E/3E3H-EBP/3E3H-EBP_target.pdbqt | data/3E/3E3H-EBP/3E3H-EBP_decoys.pdbqt | data/3E/3E3H-EBP/3E3H-EBP_decoy_scores.csv |
3EHE-NAD | data/3E/3EHE-NAD/3EHE-NAD_ligand.pdbqt | data/3E/3EHE-NAD/3EHE-NAD_target.pdbqt | data/3E/3EHE-NAD/3EHE-NAD_decoys.pdbqt | data/3E/3EHE-NAD/3EHE-NAD_decoy_scores.csv |
3EZV-EZV | data/3E/3EZV-EZV/3EZV-EZV_ligand.pdbqt | data/3E/3EZV-EZV/3EZV-EZV_target.pdbqt | data/3E/3EZV-EZV/3EZV-EZV_decoys.pdbqt | data/3E/3EZV-EZV/3EZV-EZV_decoy_scores.csv |
3ELF-2FP | data/3E/3ELF-2FP/3ELF-2FP_ligand.pdbqt | data/3E/3ELF-2FP/3ELF-2FP_target.pdbqt | data/3E/3ELF-2FP/3ELF-2FP_decoys.pdbqt | data/3E/3ELF-2FP/3ELF-2FP_decoy_scores.csv |
3EDO-FMN | data/3E/3EDO-FMN/3EDO-FMN_ligand.pdbqt | data/3E/3EDO-FMN/3EDO-FMN_target.pdbqt | data/3E/3EDO-FMN/3EDO-FMN_decoys.pdbqt | data/3E/3EDO-FMN/3EDO-FMN_decoy_scores.csv |
3ELB-C5P | data/3E/3ELB-C5P/3ELB-C5P_ligand.pdbqt | data/3E/3ELB-C5P/3ELB-C5P_target.pdbqt | data/3E/3ELB-C5P/3ELB-C5P_decoys.pdbqt | data/3E/3ELB-C5P/3ELB-C5P_decoy_scores.csv |
3EVD-SAH | data/3E/3EVD-SAH/3EVD-SAH_ligand.pdbqt | data/3E/3EVD-SAH/3EVD-SAH_target.pdbqt | data/3E/3EVD-SAH/3EVD-SAH_decoys.pdbqt | data/3E/3EVD-SAH/3EVD-SAH_decoy_scores.csv |
3EM6-017 | data/3E/3EM6-017/3EM6-017_ligand.pdbqt | data/3E/3EM6-017/3EM6-017_target.pdbqt | data/3E/3EM6-017/3EM6-017_decoys.pdbqt | data/3E/3EM6-017/3EM6-017_decoy_scores.csv |
3EWY-U5P | data/3E/3EWY-U5P/3EWY-U5P_ligand.pdbqt | data/3E/3EWY-U5P/3EWY-U5P_target.pdbqt | data/3E/3EWY-U5P/3EWY-U5P_decoys.pdbqt | data/3E/3EWY-U5P/3EWY-U5P_decoy_scores.csv |
3EHY-TBL | data/3E/3EHY-TBL/3EHY-TBL_ligand.pdbqt | data/3E/3EHY-TBL/3EHY-TBL_target.pdbqt | data/3E/3EHY-TBL/3EHY-TBL_decoys.pdbqt | data/3E/3EHY-TBL/3EHY-TBL_decoy_scores.csv |
3EJW-PAV | data/3E/3EJW-PAV/3EJW-PAV_ligand.pdbqt | data/3E/3EJW-PAV/3EJW-PAV_target.pdbqt | data/3E/3EJW-PAV/3EJW-PAV_decoys.pdbqt | data/3E/3EJW-PAV/3EJW-PAV_decoy_scores.csv |
3EMD-SFG | data/3E/3EMD-SFG/3EMD-SFG_ligand.pdbqt | data/3E/3EMD-SFG/3EMD-SFG_target.pdbqt | data/3E/3EMD-SFG/3EMD-SFG_decoys.pdbqt | data/3E/3EMD-SFG/3EMD-SFG_decoy_scores.csv |
3EPY-PLM | data/3E/3EPY-PLM/3EPY-PLM_ligand.pdbqt | data/3E/3EPY-PLM/3EPY-PLM_target.pdbqt | data/3E/3EPY-PLM/3EPY-PLM_decoys.pdbqt | data/3E/3EPY-PLM/3EPY-PLM_decoy_scores.csv |
3ET0-GLC | data/3E/3ET0-GLC/3ET0-GLC_ligand.pdbqt | data/3E/3ET0-GLC/3ET0-GLC_target.pdbqt | data/3E/3ET0-GLC/3ET0-GLC_decoys.pdbqt | data/3E/3ET0-GLC/3ET0-GLC_decoy_scores.csv |
3E63-5B2 | data/3E/3E63-5B2/3E63-5B2_ligand.pdbqt | data/3E/3E63-5B2/3E63-5B2_target.pdbqt | data/3E/3E63-5B2/3E63-5B2_decoys.pdbqt | data/3E/3E63-5B2/3E63-5B2_decoy_scores.csv |
3ERR-AMP | data/3E/3ERR-AMP/3ERR-AMP_ligand.pdbqt | data/3E/3ERR-AMP/3ERR-AMP_target.pdbqt | data/3E/3ERR-AMP/3ERR-AMP_decoys.pdbqt | data/3E/3ERR-AMP/3ERR-AMP_decoy_scores.csv |
3EX2-6CN | data/3E/3EX2-6CN/3EX2-6CN_ligand.pdbqt | data/3E/3EX2-6CN/3EX2-6CN_target.pdbqt | data/3E/3EX2-6CN/3EX2-6CN_decoys.pdbqt | data/3E/3EX2-6CN/3EX2-6CN_decoy_scores.csv |
3EVA-SAH | data/3E/3EVA-SAH/3EVA-SAH_ligand.pdbqt | data/3E/3EVA-SAH/3EVA-SAH_target.pdbqt | data/3E/3EVA-SAH/3EVA-SAH_decoys.pdbqt | data/3E/3EVA-SAH/3EVA-SAH_decoy_scores.csv |
3EO4-PG6 | data/3E/3EO4-PG6/3EO4-PG6_ligand.pdbqt | data/3E/3EO4-PG6/3EO4-PG6_target.pdbqt | data/3E/3EO4-PG6/3EO4-PG6_decoys.pdbqt | data/3E/3EO4-PG6/3EO4-PG6_decoy_scores.csv |
3EE3-CDP | data/3E/3EE3-CDP/3EE3-CDP_ligand.pdbqt | data/3E/3EE3-CDP/3EE3-CDP_target.pdbqt | data/3E/3EE3-CDP/3EE3-CDP_decoys.pdbqt | data/3E/3EE3-CDP/3EE3-CDP_decoy_scores.csv |
3ERQ-THP | data/3E/3ERQ-THP/3ERQ-THP_ligand.pdbqt | data/3E/3ERQ-THP/3ERQ-THP_target.pdbqt | data/3E/3ERQ-THP/3ERQ-THP_decoys.pdbqt | data/3E/3ERQ-THP/3ERQ-THP_decoy_scores.csv |
3E7G-AT2 | data/3E/3E7G-AT2/3E7G-AT2_ligand.pdbqt | data/3E/3E7G-AT2/3E7G-AT2_target.pdbqt | data/3E/3E7G-AT2/3E7G-AT2_decoys.pdbqt | data/3E/3E7G-AT2/3E7G-AT2_decoy_scores.csv |
3ERG-GTS | data/3E/3ERG-GTS/3ERG-GTS_ligand.pdbqt | data/3E/3ERG-GTS/3ERG-GTS_target.pdbqt | data/3E/3ERG-GTS/3ERG-GTS_decoys.pdbqt | data/3E/3ERG-GTS/3ERG-GTS_decoy_scores.csv |
3E2Y-PMP | data/3E/3E2Y-PMP/3E2Y-PMP_ligand.pdbqt | data/3E/3E2Y-PMP/3E2Y-PMP_target.pdbqt | data/3E/3E2Y-PMP/3E2Y-PMP_decoys.pdbqt | data/3E/3E2Y-PMP/3E2Y-PMP_decoy_scores.csv |
3EA5-GDP | data/3E/3EA5-GDP/3EA5-GDP_ligand.pdbqt | data/3E/3EA5-GDP/3EA5-GDP_target.pdbqt | data/3E/3EA5-GDP/3EA5-GDP_decoys.pdbqt | data/3E/3EA5-GDP/3EA5-GDP_decoy_scores.csv |
3E7O-35F | data/3E/3E7O-35F/3E7O-35F_ligand.pdbqt | data/3E/3E7O-35F/3E7O-35F_target.pdbqt | data/3E/3E7O-35F/3E7O-35F_decoys.pdbqt | data/3E/3E7O-35F/3E7O-35F_decoy_scores.csv |
3EFW-AK8 | data/3E/3EFW-AK8/3EFW-AK8_ligand.pdbqt | data/3E/3EFW-AK8/3EFW-AK8_target.pdbqt | data/3E/3EFW-AK8/3EFW-AK8_decoys.pdbqt | data/3E/3EFW-AK8/3EFW-AK8_decoy_scores.csv |
3ESN-DZ1 | data/3E/3ESN-DZ1/3ESN-DZ1_ligand.pdbqt | data/3E/3ESN-DZ1/3ESN-DZ1_target.pdbqt | data/3E/3ESN-DZ1/3ESN-DZ1_decoys.pdbqt | data/3E/3ESN-DZ1/3ESN-DZ1_decoy_scores.csv |
3EGW-AGA | data/3E/3EGW-AGA/3EGW-AGA_ligand.pdbqt | data/3E/3EGW-AGA/3EGW-AGA_target.pdbqt | null | null |
3EP6-SMM | data/3E/3EP6-SMM/3EP6-SMM_ligand.pdbqt | data/3E/3EP6-SMM/3EP6-SMM_target.pdbqt | data/3E/3EP6-SMM/3EP6-SMM_decoys.pdbqt | data/3E/3EP6-SMM/3EP6-SMM_decoy_scores.csv |
3EEK-53S | data/3E/3EEK-53S/3EEK-53S_ligand.pdbqt | data/3E/3EEK-53S/3EEK-53S_target.pdbqt | data/3E/3EEK-53S/3EEK-53S_decoys.pdbqt | data/3E/3EEK-53S/3EEK-53S_decoy_scores.csv |
3ESS-18N | data/3E/3ESS-18N/3ESS-18N_ligand.pdbqt | data/3E/3ESS-18N/3ESS-18N_target.pdbqt | data/3E/3ESS-18N/3ESS-18N_decoys.pdbqt | data/3E/3ESS-18N/3ESS-18N_decoy_scores.csv |
3EMZ-HXH | data/3E/3EMZ-HXH/3EMZ-HXH_ligand.pdbqt | data/3E/3EMZ-HXH/3EMZ-HXH_target.pdbqt | data/3E/3EMZ-HXH/3EMZ-HXH_decoys.pdbqt | data/3E/3EMZ-HXH/3EMZ-HXH_decoy_scores.csv |
3EKR-PY9 | data/3E/3EKR-PY9/3EKR-PY9_ligand.pdbqt | data/3E/3EKR-PY9/3EKR-PY9_target.pdbqt | data/3E/3EKR-PY9/3EKR-PY9_decoys.pdbqt | data/3E/3EKR-PY9/3EKR-PY9_decoy_scores.csv |
3E5A-VX6 | data/3E/3E5A-VX6/3E5A-VX6_ligand.pdbqt | data/3E/3E5A-VX6/3E5A-VX6_target.pdbqt | data/3E/3E5A-VX6/3E5A-VX6_decoys.pdbqt | data/3E/3E5A-VX6/3E5A-VX6_decoy_scores.csv |
3ETQ-CMP | data/3E/3ETQ-CMP/3ETQ-CMP_ligand.pdbqt | data/3E/3ETQ-CMP/3ETQ-CMP_target.pdbqt | data/3E/3ETQ-CMP/3ETQ-CMP_decoys.pdbqt | data/3E/3ETQ-CMP/3ETQ-CMP_decoy_scores.csv |
3EBL-GA4 | data/3E/3EBL-GA4/3EBL-GA4_ligand.pdbqt | data/3E/3EBL-GA4/3EBL-GA4_target.pdbqt | data/3E/3EBL-GA4/3EBL-GA4_decoys.pdbqt | data/3E/3EBL-GA4/3EBL-GA4_decoy_scores.csv |
3EPO-MP5 | data/3E/3EPO-MP5/3EPO-MP5_ligand.pdbqt | data/3E/3EPO-MP5/3EPO-MP5_target.pdbqt | data/3E/3EPO-MP5/3EPO-MP5_decoys.pdbqt | data/3E/3EPO-MP5/3EPO-MP5_decoy_scores.csv |
3EFQ-714 | data/3E/3EFQ-714/3EFQ-714_ligand.pdbqt | data/3E/3EFQ-714/3EFQ-714_target.pdbqt | data/3E/3EFQ-714/3EFQ-714_decoys.pdbqt | data/3E/3EFQ-714/3EFQ-714_decoy_scores.csv |
3E4V-FMN | data/3E/3E4V-FMN/3E4V-FMN_ligand.pdbqt | data/3E/3E4V-FMN/3E4V-FMN_target.pdbqt | data/3E/3E4V-FMN/3E4V-FMN_decoys.pdbqt | data/3E/3E4V-FMN/3E4V-FMN_decoy_scores.csv |
3EB1-LZQ | data/3E/3EB1-LZQ/3EB1-LZQ_ligand.pdbqt | data/3E/3EB1-LZQ/3EB1-LZQ_target.pdbqt | data/3E/3EB1-LZQ/3EB1-LZQ_decoys.pdbqt | data/3E/3EB1-LZQ/3EB1-LZQ_decoy_scores.csv |
3EKT-017 | data/3E/3EKT-017/3EKT-017_ligand.pdbqt | data/3E/3EKT-017/3EKT-017_target.pdbqt | data/3E/3EKT-017/3EKT-017_decoys.pdbqt | data/3E/3EKT-017/3EKT-017_decoy_scores.csv |
3E30-FPP | data/3E/3E30-FPP/3E30-FPP_ligand.pdbqt | data/3E/3E30-FPP/3E30-FPP_target.pdbqt | data/3E/3E30-FPP/3E30-FPP_decoys.pdbqt | data/3E/3E30-FPP/3E30-FPP_decoy_scores.csv |
3EUF-BAU | data/3E/3EUF-BAU/3EUF-BAU_ligand.pdbqt | data/3E/3EUF-BAU/3EUF-BAU_target.pdbqt | data/3E/3EUF-BAU/3EUF-BAU_decoys.pdbqt | data/3E/3EUF-BAU/3EUF-BAU_decoy_scores.csv |
3EWC-MCF | data/3E/3EWC-MCF/3EWC-MCF_ligand.pdbqt | data/3E/3EWC-MCF/3EWC-MCF_target.pdbqt | data/3E/3EWC-MCF/3EWC-MCF_decoys.pdbqt | data/3E/3EWC-MCF/3EWC-MCF_decoy_scores.csv |
3ELZ-CHD | data/3E/3ELZ-CHD/3ELZ-CHD_ligand.pdbqt | data/3E/3ELZ-CHD/3ELZ-CHD_target.pdbqt | data/3E/3ELZ-CHD/3ELZ-CHD_decoys.pdbqt | data/3E/3ELZ-CHD/3ELZ-CHD_decoy_scores.csv |
3EWD-MCF | data/3E/3EWD-MCF/3EWD-MCF_ligand.pdbqt | data/3E/3EWD-MCF/3EWD-MCF_target.pdbqt | data/3E/3EWD-MCF/3EWD-MCF_decoys.pdbqt | data/3E/3EWD-MCF/3EWD-MCF_decoy_scores.csv |
3EJR-HN4 | data/3E/3EJR-HN4/3EJR-HN4_ligand.pdbqt | data/3E/3EJR-HN4/3EJR-HN4_target.pdbqt | data/3E/3EJR-HN4/3EJR-HN4_decoys.pdbqt | data/3E/3EJR-HN4/3EJR-HN4_decoy_scores.csv |
3EWW-U1P | data/3E/3EWW-U1P/3EWW-U1P_ligand.pdbqt | data/3E/3EWW-U1P/3EWW-U1P_target.pdbqt | data/3E/3EWW-U1P/3EWW-U1P_decoys.pdbqt | data/3E/3EWW-U1P/3EWW-U1P_decoy_scores.csv |
3EQ6-AMP | data/3E/3EQ6-AMP/3EQ6-AMP_ligand.pdbqt | data/3E/3EQ6-AMP/3EQ6-AMP_target.pdbqt | data/3E/3EQ6-AMP/3EQ6-AMP_decoys.pdbqt | data/3E/3EQ6-AMP/3EQ6-AMP_decoy_scores.csv |
3E7S-AT2 | data/3E/3E7S-AT2/3E7S-AT2_ligand.pdbqt | data/3E/3E7S-AT2/3E7S-AT2_target.pdbqt | null | null |
3E7C-866 | data/3E/3E7C-866/3E7C-866_ligand.pdbqt | data/3E/3E7C-866/3E7C-866_target.pdbqt | data/3E/3E7C-866/3E7C-866_decoys.pdbqt | data/3E/3E7C-866/3E7C-866_decoy_scores.csv |
3EAI-H4B | data/3E/3EAI-H4B/3EAI-H4B_ligand.pdbqt | data/3E/3EAI-H4B/3EAI-H4B_target.pdbqt | data/3E/3EAI-H4B/3EAI-H4B_decoys.pdbqt | data/3E/3EAI-H4B/3EAI-H4B_decoy_scores.csv |
3E68-AT6 | data/3E/3E68-AT6/3E68-AT6_ligand.pdbqt | data/3E/3E68-AT6/3E68-AT6_target.pdbqt | data/3E/3E68-AT6/3E68-AT6_decoys.pdbqt | data/3E/3E68-AT6/3E68-AT6_decoy_scores.csv |
3EJU-HN7 | data/3E/3EJU-HN7/3EJU-HN7_ligand.pdbqt | data/3E/3EJU-HN7/3EJU-HN7_target.pdbqt | data/3E/3EJU-HN7/3EJU-HN7_decoys.pdbqt | data/3E/3EJU-HN7/3EJU-HN7_decoy_scores.csv |
3ENS-ENS | data/3E/3ENS-ENS/3ENS-ENS_ligand.pdbqt | data/3E/3ENS-ENS/3ENS-ENS_target.pdbqt | data/3E/3ENS-ENS/3ENS-ENS_decoys.pdbqt | data/3E/3ENS-ENS/3ENS-ENS_decoy_scores.csv |
3E87-G95 | data/3E/3E87-G95/3E87-G95_ligand.pdbqt | data/3E/3E87-G95/3E87-G95_target.pdbqt | data/3E/3E87-G95/3E87-G95_decoys.pdbqt | data/3E/3E87-G95/3E87-G95_decoy_scores.csv |
3E8E-G98 | data/3E/3E8E-G98/3E8E-G98_ligand.pdbqt | data/3E/3E8E-G98/3E8E-G98_target.pdbqt | data/3E/3E8E-G98/3E8E-G98_decoys.pdbqt | data/3E/3E8E-G98/3E8E-G98_decoy_scores.csv |
3EJ2-928 | data/3E/3EJ2-928/3EJ2-928_ligand.pdbqt | data/3E/3EJ2-928/3EJ2-928_target.pdbqt | data/3E/3EJ2-928/3EJ2-928_decoys.pdbqt | data/3E/3EJ2-928/3EJ2-928_decoy_scores.csv |
3E5U-3C4 | data/3E/3E5U-3C4/3E5U-3C4_ligand.pdbqt | data/3E/3E5U-3C4/3E5U-3C4_target.pdbqt | data/3E/3E5U-3C4/3E5U-3C4_decoys.pdbqt | data/3E/3E5U-3C4/3E5U-3C4_decoy_scores.csv |
3ENZ-HPA | data/3E/3ENZ-HPA/3ENZ-HPA_ligand.pdbqt | data/3E/3ENZ-HPA/3ENZ-HPA_target.pdbqt | null | null |
3EVE-SAH | data/3E/3EVE-SAH/3EVE-SAH_ligand.pdbqt | data/3E/3EVE-SAH/3EVE-SAH_target.pdbqt | data/3E/3EVE-SAH/3EVE-SAH_decoys.pdbqt | data/3E/3EVE-SAH/3EVE-SAH_decoy_scores.csv |
3EJM-GDP | data/3E/3EJM-GDP/3EJM-GDP_ligand.pdbqt | data/3E/3EJM-GDP/3EJM-GDP_target.pdbqt | data/3E/3EJM-GDP/3EJM-GDP_decoys.pdbqt | data/3E/3EJM-GDP/3EJM-GDP_decoy_scores.csv |
3EFS-ATP | data/3E/3EFS-ATP/3EFS-ATP_ligand.pdbqt | data/3E/3EFS-ATP/3EFS-ATP_target.pdbqt | data/3E/3EFS-ATP/3EFS-ATP_decoys.pdbqt | data/3E/3EFS-ATP/3EFS-ATP_decoy_scores.csv |
3EYW-NAD | data/3E/3EYW-NAD/3EYW-NAD_ligand.pdbqt | data/3E/3EYW-NAD/3EYW-NAD_target.pdbqt | data/3E/3EYW-NAD/3EYW-NAD_decoys.pdbqt | data/3E/3EYW-NAD/3EYW-NAD_decoy_scores.csv |
3E8R-615 | data/3E/3E8R-615/3E8R-615_ligand.pdbqt | data/3E/3E8R-615/3E8R-615_target.pdbqt | data/3E/3E8R-615/3E8R-615_decoys.pdbqt | data/3E/3E8R-615/3E8R-615_decoy_scores.csv |
3E08-TRP | data/3E/3E08-TRP/3E08-TRP_ligand.pdbqt | data/3E/3E08-TRP/3E08-TRP_target.pdbqt | data/3E/3E08-TRP/3E08-TRP_decoys.pdbqt | data/3E/3E08-TRP/3E08-TRP_decoy_scores.csv |
3E7V-DZO | data/3E/3E7V-DZO/3E7V-DZO_ligand.pdbqt | data/3E/3E7V-DZO/3E7V-DZO_target.pdbqt | data/3E/3E7V-DZO/3E7V-DZO_decoys.pdbqt | data/3E/3E7V-DZO/3E7V-DZO_decoy_scores.csv |
3EIG-MTX | data/3E/3EIG-MTX/3EIG-MTX_ligand.pdbqt | data/3E/3EIG-MTX/3EIG-MTX_target.pdbqt | data/3E/3EIG-MTX/3EIG-MTX_decoys.pdbqt | data/3E/3EIG-MTX/3EIG-MTX_decoy_scores.csv |
3E7M-H4B | data/3E/3E7M-H4B/3E7M-H4B_ligand.pdbqt | data/3E/3E7M-H4B/3E7M-H4B_target.pdbqt | data/3E/3E7M-H4B/3E7M-H4B_decoys.pdbqt | data/3E/3E7M-H4B/3E7M-H4B_decoy_scores.csv |
3ELM-24F | data/3E/3ELM-24F/3ELM-24F_ligand.pdbqt | data/3E/3ELM-24F/3ELM-24F_target.pdbqt | data/3E/3ELM-24F/3ELM-24F_decoys.pdbqt | data/3E/3ELM-24F/3ELM-24F_decoy_scores.csv |
3EIA-PL6 | data/3E/3EIA-PL6/3EIA-PL6_ligand.pdbqt | data/3E/3EIA-PL6/3EIA-PL6_target.pdbqt | data/3E/3EIA-PL6/3EIA-PL6_decoys.pdbqt | data/3E/3EIA-PL6/3EIA-PL6_decoy_scores.csv |
3EMB-SAM | data/3E/3EMB-SAM/3EMB-SAM_ligand.pdbqt | data/3E/3EMB-SAM/3EMB-SAM_target.pdbqt | data/3E/3EMB-SAM/3EMB-SAM_decoys.pdbqt | data/3E/3EMB-SAM/3EMB-SAM_decoy_scores.csv |
3EB3-PDN | data/3E/3EB3-PDN/3EB3-PDN_ligand.pdbqt | data/3E/3EB3-PDN/3EB3-PDN_target.pdbqt | data/3E/3EB3-PDN/3EB3-PDN_decoys.pdbqt | data/3E/3EB3-PDN/3EB3-PDN_decoy_scores.csv |
3EHB-LMT | data/3E/3EHB-LMT/3EHB-LMT_ligand.pdbqt | data/3E/3EHB-LMT/3EHB-LMT_target.pdbqt | data/3E/3EHB-LMT/3EHB-LMT_decoys.pdbqt | data/3E/3EHB-LMT/3EHB-LMT_decoy_scores.csv |
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