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 ⌀ |
|---|---|---|---|---|
4FU8-2UP | data/4F/4FU8-2UP/4FU8-2UP_ligand.pdbqt | data/4F/4FU8-2UP/4FU8-2UP_target.pdbqt | data/4F/4FU8-2UP/4FU8-2UP_decoys.pdbqt | data/4F/4FU8-2UP/4FU8-2UP_decoy_scores.csv |
4F1L-0RY | data/4F/4F1L-0RY/4F1L-0RY_ligand.pdbqt | data/4F/4F1L-0RY/4F1L-0RY_target.pdbqt | data/4F/4F1L-0RY/4F1L-0RY_decoys.pdbqt | data/4F/4F1L-0RY/4F1L-0RY_decoy_scores.csv |
4FRY-AMP | data/4F/4FRY-AMP/4FRY-AMP_ligand.pdbqt | data/4F/4FRY-AMP/4FRY-AMP_target.pdbqt | data/4F/4FRY-AMP/4FRY-AMP_decoys.pdbqt | data/4F/4FRY-AMP/4FRY-AMP_decoy_scores.csv |
4FIK-D2S | data/4F/4FIK-D2S/4FIK-D2S_ligand.pdbqt | data/4F/4FIK-D2S/4FIK-D2S_target.pdbqt | data/4F/4FIK-D2S/4FIK-D2S_decoys.pdbqt | data/4F/4FIK-D2S/4FIK-D2S_decoy_scores.csv |
4FX2-FMN | data/4F/4FX2-FMN/4FX2-FMN_ligand.pdbqt | data/4F/4FX2-FMN/4FX2-FMN_target.pdbqt | data/4F/4FX2-FMN/4FX2-FMN_decoys.pdbqt | data/4F/4FX2-FMN/4FX2-FMN_decoy_scores.csv |
4F3H-C2E | data/4F/4F3H-C2E/4F3H-C2E_ligand.pdbqt | data/4F/4F3H-C2E/4F3H-C2E_target.pdbqt | data/4F/4F3H-C2E/4F3H-C2E_decoys.pdbqt | data/4F/4F3H-C2E/4F3H-C2E_decoy_scores.csv |
4F9Y-GG5 | data/4F/4F9Y-GG5/4F9Y-GG5_ligand.pdbqt | data/4F/4F9Y-GG5/4F9Y-GG5_target.pdbqt | data/4F/4F9Y-GG5/4F9Y-GG5_decoys.pdbqt | data/4F/4F9Y-GG5/4F9Y-GG5_decoy_scores.csv |
4FST-HK4 | data/4F/4FST-HK4/4FST-HK4_ligand.pdbqt | data/4F/4FST-HK4/4FST-HK4_target.pdbqt | data/4F/4FST-HK4/4FST-HK4_decoys.pdbqt | data/4F/4FST-HK4/4FST-HK4_decoy_scores.csv |
4FSZ-HK8 | data/4F/4FSZ-HK8/4FSZ-HK8_ligand.pdbqt | data/4F/4FSZ-HK8/4FSZ-HK8_target.pdbqt | data/4F/4FSZ-HK8/4FSZ-HK8_decoys.pdbqt | data/4F/4FSZ-HK8/4FSZ-HK8_decoy_scores.csv |
4FTI-H7K | data/4F/4FTI-H7K/4FTI-H7K_ligand.pdbqt | data/4F/4FTI-H7K/4FTI-H7K_target.pdbqt | data/4F/4FTI-H7K/4FTI-H7K_decoys.pdbqt | data/4F/4FTI-H7K/4FTI-H7K_decoy_scores.csv |
4F2Q-QUS | data/4F/4F2Q-QUS/4F2Q-QUS_ligand.pdbqt | data/4F/4F2Q-QUS/4F2Q-QUS_target.pdbqt | data/4F/4F2Q-QUS/4F2Q-QUS_decoys.pdbqt | data/4F/4F2Q-QUS/4F2Q-QUS_decoy_scores.csv |
4FYY-CTP | data/4F/4FYY-CTP/4FYY-CTP_ligand.pdbqt | data/4F/4FYY-CTP/4FYY-CTP_target.pdbqt | data/4F/4FYY-CTP/4FYY-CTP_decoys.pdbqt | data/4F/4FYY-CTP/4FYY-CTP_decoy_scores.csv |
4FUE-7UP | data/4F/4FUE-7UP/4FUE-7UP_ligand.pdbqt | data/4F/4FUE-7UP/4FUE-7UP_target.pdbqt | data/4F/4FUE-7UP/4FUE-7UP_decoys.pdbqt | data/4F/4FUE-7UP/4FUE-7UP_decoy_scores.csv |
4F49-K36 | data/4F/4F49-K36/4F49-K36_ligand.pdbqt | data/4F/4F49-K36/4F49-K36_target.pdbqt | data/4F/4F49-K36/4F49-K36_decoys.pdbqt | data/4F/4F49-K36/4F49-K36_decoy_scores.csv |
4FKY-GDP | data/4F/4FKY-GDP/4FKY-GDP_ligand.pdbqt | data/4F/4FKY-GDP/4FKY-GDP_target.pdbqt | data/4F/4FKY-GDP/4FKY-GDP_decoys.pdbqt | data/4F/4FKY-GDP/4FKY-GDP_decoy_scores.csv |
4FHI-0S4 | data/4F/4FHI-0S4/4FHI-0S4_ligand.pdbqt | data/4F/4FHI-0S4/4FHI-0S4_target.pdbqt | data/4F/4FHI-0S4/4FHI-0S4_decoys.pdbqt | data/4F/4FHI-0S4/4FHI-0S4_decoy_scores.csv |
4FUF-8UP | data/4F/4FUF-8UP/4FUF-8UP_ligand.pdbqt | data/4F/4FUF-8UP/4FUF-8UP_target.pdbqt | data/4F/4FUF-8UP/4FUF-8UP_decoys.pdbqt | data/4F/4FUF-8UP/4FUF-8UP_decoy_scores.csv |
4F6P-DFH | data/4F/4F6P-DFH/4F6P-DFH_ligand.pdbqt | data/4F/4F6P-DFH/4F6P-DFH_target.pdbqt | data/4F/4F6P-DFH/4F6P-DFH_decoys.pdbqt | data/4F/4F6P-DFH/4F6P-DFH_decoy_scores.csv |
4FDN-0T4 | data/4F/4FDN-0T4/4FDN-0T4_ligand.pdbqt | data/4F/4FDN-0T4/4FDN-0T4_target.pdbqt | data/4F/4FDN-0T4/4FDN-0T4_decoys.pdbqt | data/4F/4FDN-0T4/4FDN-0T4_decoy_scores.csv |
4F99-ADP | data/4F/4F99-ADP/4F99-ADP_ligand.pdbqt | data/4F/4F99-ADP/4F99-ADP_target.pdbqt | data/4F/4F99-ADP/4F99-ADP_decoys.pdbqt | data/4F/4F99-ADP/4F99-ADP_decoy_scores.csv |
4FTR-5HK | data/4F/4FTR-5HK/4FTR-5HK_ligand.pdbqt | data/4F/4FTR-5HK/4FTR-5HK_target.pdbqt | data/4F/4FTR-5HK/4FTR-5HK_decoys.pdbqt | data/4F/4FTR-5HK/4FTR-5HK_decoy_scores.csv |
4F3I-0S6 | data/4F/4F3I-0S6/4F3I-0S6_ligand.pdbqt | data/4F/4F3I-0S6/4F3I-0S6_target.pdbqt | data/4F/4F3I-0S6/4F3I-0S6_decoys.pdbqt | data/4F/4F3I-0S6/4F3I-0S6_decoy_scores.csv |
4FEU-537 | data/4F/4FEU-537/4FEU-537_ligand.pdbqt | data/4F/4FEU-537/4FEU-537_target.pdbqt | data/4F/4FEU-537/4FEU-537_decoys.pdbqt | data/4F/4FEU-537/4FEU-537_decoy_scores.csv |
4F2K-LE2 | data/4F/4F2K-LE2/4F2K-LE2_ligand.pdbqt | data/4F/4F2K-LE2/4F2K-LE2_target.pdbqt | data/4F/4F2K-LE2/4F2K-LE2_decoys.pdbqt | data/4F/4F2K-LE2/4F2K-LE2_decoy_scores.csv |
4FTW-PIN | data/4F/4FTW-PIN/4FTW-PIN_ligand.pdbqt | data/4F/4FTW-PIN/4FTW-PIN_target.pdbqt | data/4F/4FTW-PIN/4FTW-PIN_decoys.pdbqt | data/4F/4FTW-PIN/4FTW-PIN_decoy_scores.csv |
4FVT-CNA | data/4F/4FVT-CNA/4FVT-CNA_ligand.pdbqt | data/4F/4FVT-CNA/4FVT-CNA_target.pdbqt | data/4F/4FVT-CNA/4FVT-CNA_decoys.pdbqt | data/4F/4FVT-CNA/4FVT-CNA_decoy_scores.csv |
4F6Z-FLC | data/4F/4F6Z-FLC/4F6Z-FLC_ligand.pdbqt | data/4F/4F6Z-FLC/4F6Z-FLC_target.pdbqt | data/4F/4F6Z-FLC/4F6Z-FLC_decoys.pdbqt | data/4F/4F6Z-FLC/4F6Z-FLC_decoy_scores.csv |
4F0S-NOS | data/4F/4F0S-NOS/4F0S-NOS_ligand.pdbqt | data/4F/4F0S-NOS/4F0S-NOS_target.pdbqt | data/4F/4F0S-NOS/4F0S-NOS_decoys.pdbqt | data/4F/4F0S-NOS/4F0S-NOS_decoy_scores.csv |
4F0C-GDS | data/4F/4F0C-GDS/4F0C-GDS_ligand.pdbqt | data/4F/4F0C-GDS/4F0C-GDS_target.pdbqt | data/4F/4F0C-GDS/4F0C-GDS_decoys.pdbqt | data/4F/4F0C-GDS/4F0C-GDS_decoy_scores.csv |
4FR8-ADP | data/4F/4FR8-ADP/4FR8-ADP_ligand.pdbqt | data/4F/4FR8-ADP/4FR8-ADP_target.pdbqt | data/4F/4FR8-ADP/4FR8-ADP_decoys.pdbqt | data/4F/4FR8-ADP/4FR8-ADP_decoy_scores.csv |
4F0B-GDS | data/4F/4F0B-GDS/4F0B-GDS_ligand.pdbqt | data/4F/4F0B-GDS/4F0B-GDS_target.pdbqt | data/4F/4F0B-GDS/4F0B-GDS_decoys.pdbqt | data/4F/4F0B-GDS/4F0B-GDS_decoy_scores.csv |
4FSF-0W0 | data/4F/4FSF-0W0/4FSF-0W0_ligand.pdbqt | data/4F/4FSF-0W0/4FSF-0W0_target.pdbqt | data/4F/4FSF-0W0/4FSF-0W0_decoys.pdbqt | data/4F/4FSF-0W0/4FSF-0W0_decoy_scores.csv |
4FPY-0V8 | data/4F/4FPY-0V8/4FPY-0V8_ligand.pdbqt | data/4F/4FPY-0V8/4FPY-0V8_target.pdbqt | data/4F/4FPY-0V8/4FPY-0V8_decoys.pdbqt | data/4F/4FPY-0V8/4FPY-0V8_decoy_scores.csv |
4FYN-0VE | data/4F/4FYN-0VE/4FYN-0VE_ligand.pdbqt | data/4F/4FYN-0VE/4FYN-0VE_target.pdbqt | data/4F/4FYN-0VE/4FYN-0VE_decoys.pdbqt | data/4F/4FYN-0VE/4FYN-0VE_decoy_scores.csv |
4F8Y-VK3 | data/4F/4F8Y-VK3/4F8Y-VK3_ligand.pdbqt | data/4F/4F8Y-VK3/4F8Y-VK3_target.pdbqt | data/4F/4F8Y-VK3/4F8Y-VK3_decoys.pdbqt | data/4F/4F8Y-VK3/4F8Y-VK3_decoy_scores.csv |
4FSM-HK1 | data/4F/4FSM-HK1/4FSM-HK1_ligand.pdbqt | data/4F/4FSM-HK1/4FSM-HK1_target.pdbqt | data/4F/4FSM-HK1/4FSM-HK1_decoys.pdbqt | data/4F/4FSM-HK1/4FSM-HK1_decoy_scores.csv |
4FSP-C8E | data/4F/4FSP-C8E/4FSP-C8E_ligand.pdbqt | data/4F/4FSP-C8E/4FSP-C8E_target.pdbqt | data/4F/4FSP-C8E/4FSP-C8E_decoys.pdbqt | data/4F/4FSP-C8E/4FSP-C8E_decoy_scores.csv |
4FBE-PBD | data/4F/4FBE-PBD/4FBE-PBD_ligand.pdbqt | data/4F/4FBE-PBD/4FBE-PBD_target.pdbqt | data/4F/4FBE-PBD/4FBE-PBD_decoys.pdbqt | data/4F/4FBE-PBD/4FBE-PBD_decoy_scores.csv |
4F7F-PG6 | data/4F/4F7F-PG6/4F7F-PG6_ligand.pdbqt | data/4F/4F7F-PG6/4F7F-PG6_target.pdbqt | data/4F/4F7F-PG6/4F7F-PG6_decoys.pdbqt | data/4F/4F7F-PG6/4F7F-PG6_decoy_scores.csv |
4F7S-0SW | data/4F/4F7S-0SW/4F7S-0SW_ligand.pdbqt | data/4F/4F7S-0SW/4F7S-0SW_target.pdbqt | data/4F/4F7S-0SW/4F7S-0SW_decoys.pdbqt | data/4F/4F7S-0SW/4F7S-0SW_decoy_scores.csv |
4FV8-E63 | data/4F/4FV8-E63/4FV8-E63_ligand.pdbqt | data/4F/4FV8-E63/4FV8-E63_target.pdbqt | data/4F/4FV8-E63/4FV8-E63_decoys.pdbqt | data/4F/4FV8-E63/4FV8-E63_decoy_scores.csv |
4FRH-UDP | data/4F/4FRH-UDP/4FRH-UDP_ligand.pdbqt | data/4F/4FRH-UDP/4FRH-UDP_target.pdbqt | data/4F/4FRH-UDP/4FRH-UDP_decoys.pdbqt | data/4F/4FRH-UDP/4FRH-UDP_decoy_scores.csv |
4FYY-UTP | data/4F/4FYY-UTP/4FYY-UTP_ligand.pdbqt | data/4F/4FYY-UTP/4FYY-UTP_target.pdbqt | data/4F/4FYY-UTP/4FYY-UTP_decoys.pdbqt | data/4F/4FYY-UTP/4FYY-UTP_decoy_scores.csv |
4FUJ-1U9 | data/4F/4FUJ-1U9/4FUJ-1U9_ligand.pdbqt | data/4F/4FUJ-1U9/4FUJ-1U9_target.pdbqt | data/4F/4FUJ-1U9/4FUJ-1U9_decoys.pdbqt | data/4F/4FUJ-1U9/4FUJ-1U9_decoy_scores.csv |
4FKT-48K | data/4F/4FKT-48K/4FKT-48K_ligand.pdbqt | data/4F/4FKT-48K/4FKT-48K_target.pdbqt | data/4F/4FKT-48K/4FKT-48K_decoys.pdbqt | data/4F/4FKT-48K/4FKT-48K_decoy_scores.csv |
4FW6-L59 | data/4F/4FW6-L59/4FW6-L59_ligand.pdbqt | data/4F/4FW6-L59/4FW6-L59_target.pdbqt | data/4F/4FW6-L59/4FW6-L59_decoys.pdbqt | data/4F/4FW6-L59/4FW6-L59_decoy_scores.csv |
4FAS-P6G | data/4F/4FAS-P6G/4FAS-P6G_ligand.pdbqt | data/4F/4FAS-P6G/4FAS-P6G_target.pdbqt | data/4F/4FAS-P6G/4FAS-P6G_decoys.pdbqt | data/4F/4FAS-P6G/4FAS-P6G_decoy_scores.csv |
4FVZ-4KJ | data/4F/4FVZ-4KJ/4FVZ-4KJ_ligand.pdbqt | data/4F/4FVZ-4KJ/4FVZ-4KJ_target.pdbqt | data/4F/4FVZ-4KJ/4FVZ-4KJ_decoys.pdbqt | data/4F/4FVZ-4KJ/4FVZ-4KJ_decoy_scores.csv |
4FHW-GTP | data/4F/4FHW-GTP/4FHW-GTP_ligand.pdbqt | data/4F/4FHW-GTP/4FHW-GTP_target.pdbqt | data/4F/4FHW-GTP/4FHW-GTP_decoys.pdbqt | data/4F/4FHW-GTP/4FHW-GTP_decoy_scores.csv |
4FRD-UDP | data/4F/4FRD-UDP/4FRD-UDP_ligand.pdbqt | data/4F/4FRD-UDP/4FRD-UDP_target.pdbqt | data/4F/4FRD-UDP/4FRD-UDP_decoys.pdbqt | data/4F/4FRD-UDP/4FRD-UDP_decoy_scores.csv |
4F4P-0SB | data/4F/4F4P-0SB/4F4P-0SB_ligand.pdbqt | data/4F/4F4P-0SB/4F4P-0SB_target.pdbqt | data/4F/4F4P-0SB/4F4P-0SB_decoys.pdbqt | data/4F/4F4P-0SB/4F4P-0SB_decoy_scores.csv |
4FO4-IMP | data/4F/4FO4-IMP/4FO4-IMP_ligand.pdbqt | data/4F/4FO4-IMP/4FO4-IMP_target.pdbqt | data/4F/4FO4-IMP/4FO4-IMP_decoys.pdbqt | data/4F/4FO4-IMP/4FO4-IMP_decoy_scores.csv |
4FT3-H1K | data/4F/4FT3-H1K/4FT3-H1K_ligand.pdbqt | data/4F/4FT3-H1K/4FT3-H1K_target.pdbqt | data/4F/4FT3-H1K/4FT3-H1K_decoys.pdbqt | data/4F/4FT3-H1K/4FT3-H1K_decoy_scores.csv |
4FEE-TDM | data/4F/4FEE-TDM/4FEE-TDM_ligand.pdbqt | data/4F/4FEE-TDM/4FEE-TDM_target.pdbqt | data/4F/4FEE-TDM/4FEE-TDM_decoys.pdbqt | data/4F/4FEE-TDM/4FEE-TDM_decoy_scores.csv |
4F9C-0SX | data/4F/4F9C-0SX/4F9C-0SX_ligand.pdbqt | data/4F/4F9C-0SX/4F9C-0SX_target.pdbqt | data/4F/4F9C-0SX/4F9C-0SX_decoys.pdbqt | data/4F/4F9C-0SX/4F9C-0SX_decoy_scores.csv |
4FEG-TDM | data/4F/4FEG-TDM/4FEG-TDM_ligand.pdbqt | data/4F/4FEG-TDM/4FEG-TDM_target.pdbqt | data/4F/4FEG-TDM/4FEG-TDM_decoys.pdbqt | data/4F/4FEG-TDM/4FEG-TDM_decoy_scores.csv |
4FCR-0TM | data/4F/4FCR-0TM/4FCR-0TM_ligand.pdbqt | data/4F/4FCR-0TM/4FCR-0TM_target.pdbqt | data/4F/4FCR-0TM/4FCR-0TM_decoys.pdbqt | data/4F/4FCR-0TM/4FCR-0TM_decoy_scores.csv |
4F3K-HCE | data/4F/4F3K-HCE/4F3K-HCE_ligand.pdbqt | data/4F/4F3K-HCE/4F3K-HCE_target.pdbqt | data/4F/4F3K-HCE/4F3K-HCE_decoys.pdbqt | data/4F/4F3K-HCE/4F3K-HCE_decoy_scores.csv |
4FQE-C8E | data/4F/4FQE-C8E/4FQE-C8E_ligand.pdbqt | data/4F/4FQE-C8E/4FQE-C8E_target.pdbqt | data/4F/4FQE-C8E/4FQE-C8E_decoys.pdbqt | data/4F/4FQE-C8E/4FQE-C8E_decoy_scores.csv |
4FX6-BMP | data/4F/4FX6-BMP/4FX6-BMP_ligand.pdbqt | data/4F/4FX6-BMP/4FX6-BMP_target.pdbqt | data/4F/4FX6-BMP/4FX6-BMP_decoys.pdbqt | data/4F/4FX6-BMP/4FX6-BMP_decoy_scores.csv |
4FEW-KAN | data/4F/4FEW-KAN/4FEW-KAN_ligand.pdbqt | data/4F/4FEW-KAN/4FEW-KAN_target.pdbqt | data/4F/4FEW-KAN/4FEW-KAN_decoys.pdbqt | data/4F/4FEW-KAN/4FEW-KAN_decoy_scores.csv |
4FCB-0T7 | data/4F/4FCB-0T7/4FCB-0T7_ligand.pdbqt | data/4F/4FCB-0T7/4FCB-0T7_target.pdbqt | data/4F/4FCB-0T7/4FCB-0T7_decoys.pdbqt | data/4F/4FCB-0T7/4FCB-0T7_decoy_scores.csv |
4FJU-NAI | data/4F/4FJU-NAI/4FJU-NAI_ligand.pdbqt | data/4F/4FJU-NAI/4FJU-NAI_target.pdbqt | data/4F/4FJU-NAI/4FJU-NAI_decoys.pdbqt | data/4F/4FJU-NAI/4FJU-NAI_decoy_scores.csv |
4FOI-G16 | data/4F/4FOI-G16/4FOI-G16_ligand.pdbqt | data/4F/4FOI-G16/4FOI-G16_target.pdbqt | data/4F/4FOI-G16/4FOI-G16_decoys.pdbqt | data/4F/4FOI-G16/4FOI-G16_decoy_scores.csv |
4FFL-ATP | data/4F/4FFL-ATP/4FFL-ATP_ligand.pdbqt | data/4F/4FFL-ATP/4FFL-ATP_target.pdbqt | data/4F/4FFL-ATP/4FFL-ATP_decoys.pdbqt | data/4F/4FFL-ATP/4FFL-ATP_decoy_scores.csv |
4F39-KAI | data/4F/4F39-KAI/4F39-KAI_ligand.pdbqt | data/4F/4F39-KAI/4F39-KAI_target.pdbqt | data/4F/4F39-KAI/4F39-KAI_decoys.pdbqt | data/4F/4F39-KAI/4F39-KAI_decoy_scores.csv |
4F09-JAK | data/4F/4F09-JAK/4F09-JAK_ligand.pdbqt | data/4F/4F09-JAK/4F09-JAK_target.pdbqt | data/4F/4F09-JAK/4F09-JAK_decoys.pdbqt | data/4F/4F09-JAK/4F09-JAK_decoy_scores.csv |
4FEW-PP2 | data/4F/4FEW-PP2/4FEW-PP2_ligand.pdbqt | data/4F/4FEW-PP2/4FEW-PP2_target.pdbqt | data/4F/4FEW-PP2/4FEW-PP2_decoys.pdbqt | data/4F/4FEW-PP2/4FEW-PP2_decoy_scores.csv |
4FV6-E57 | data/4F/4FV6-E57/4FV6-E57_ligand.pdbqt | data/4F/4FV6-E57/4FV6-E57_target.pdbqt | data/4F/4FV6-E57/4FV6-E57_decoys.pdbqt | data/4F/4FV6-E57/4FV6-E57_decoy_scores.csv |
4FKZ-UDP | data/4F/4FKZ-UDP/4FKZ-UDP_ligand.pdbqt | data/4F/4FKZ-UDP/4FKZ-UDP_target.pdbqt | data/4F/4FKZ-UDP/4FKZ-UDP_decoys.pdbqt | data/4F/4FKZ-UDP/4FKZ-UDP_decoy_scores.csv |
4FE2-ADP | data/4F/4FE2-ADP/4FE2-ADP_ligand.pdbqt | data/4F/4FE2-ADP/4FE2-ADP_target.pdbqt | data/4F/4FE2-ADP/4FE2-ADP_decoys.pdbqt | data/4F/4FE2-ADP/4FE2-ADP_decoy_scores.csv |
4F6U-0SR | data/4F/4F6U-0SR/4F6U-0SR_ligand.pdbqt | data/4F/4F6U-0SR/4F6U-0SR_target.pdbqt | data/4F/4F6U-0SR/4F6U-0SR_decoys.pdbqt | data/4F/4F6U-0SR/4F6U-0SR_decoy_scores.csv |
4FTN-2HK | data/4F/4FTN-2HK/4FTN-2HK_ligand.pdbqt | data/4F/4FTN-2HK/4FTN-2HK_target.pdbqt | data/4F/4FTN-2HK/4FTN-2HK_decoys.pdbqt | data/4F/4FTN-2HK/4FTN-2HK_decoy_scores.csv |
4FU7-1UP | data/4F/4FU7-1UP/4FU7-1UP_ligand.pdbqt | data/4F/4FU7-1UP/4FU7-1UP_target.pdbqt | data/4F/4FU7-1UP/4FU7-1UP_decoys.pdbqt | data/4F/4FU7-1UP/4FU7-1UP_decoy_scores.csv |
4FUC-239 | data/4F/4FUC-239/4FUC-239_ligand.pdbqt | data/4F/4FUC-239/4FUC-239_target.pdbqt | data/4F/4FUC-239/4FUC-239_decoys.pdbqt | data/4F/4FUC-239/4FUC-239_decoy_scores.csv |
4F0R-MTA | data/4F/4F0R-MTA/4F0R-MTA_ligand.pdbqt | data/4F/4F0R-MTA/4F0R-MTA_target.pdbqt | data/4F/4F0R-MTA/4F0R-MTA_decoys.pdbqt | data/4F/4F0R-MTA/4F0R-MTA_decoy_scores.csv |
4FFM-0TF | data/4F/4FFM-0TF/4FFM-0TF_ligand.pdbqt | data/4F/4FFM-0TF/4FFM-0TF_target.pdbqt | data/4F/4FFM-0TF/4FFM-0TF_decoys.pdbqt | data/4F/4FFM-0TF/4FFM-0TF_decoy_scores.csv |
4FPJ-D8I | data/4F/4FPJ-D8I/4FPJ-D8I_ligand.pdbqt | data/4F/4FPJ-D8I/4FPJ-D8I_target.pdbqt | data/4F/4FPJ-D8I/4FPJ-D8I_decoys.pdbqt | data/4F/4FPJ-D8I/4FPJ-D8I_decoy_scores.csv |
4FUG-9UP | data/4F/4FUG-9UP/4FUG-9UP_ligand.pdbqt | data/4F/4FUG-9UP/4FUG-9UP_target.pdbqt | data/4F/4FUG-9UP/4FUG-9UP_decoys.pdbqt | data/4F/4FUG-9UP/4FUG-9UP_decoy_scores.csv |
4FHA-LYS | data/4F/4FHA-LYS/4FHA-LYS_ligand.pdbqt | data/4F/4FHA-LYS/4FHA-LYS_target.pdbqt | data/4F/4FHA-LYS/4FHA-LYS_decoys.pdbqt | data/4F/4FHA-LYS/4FHA-LYS_decoy_scores.csv |
4FKG-4CK | data/4F/4FKG-4CK/4FKG-4CK_ligand.pdbqt | data/4F/4FKG-4CK/4FKG-4CK_target.pdbqt | data/4F/4FKG-4CK/4FKG-4CK_decoys.pdbqt | data/4F/4FKG-4CK/4FKG-4CK_decoy_scores.csv |
4F9W-GG5 | data/4F/4F9W-GG5/4F9W-GG5_ligand.pdbqt | data/4F/4F9W-GG5/4F9W-GG5_target.pdbqt | data/4F/4F9W-GG5/4F9W-GG5_decoys.pdbqt | data/4F/4F9W-GG5/4F9W-GG5_decoy_scores.csv |
4FEY-ADP | data/4F/4FEY-ADP/4FEY-ADP_ligand.pdbqt | data/4F/4FEY-ADP/4FEY-ADP_target.pdbqt | data/4F/4FEY-ADP/4FEY-ADP_decoys.pdbqt | data/4F/4FEY-ADP/4FEY-ADP_decoy_scores.csv |
4FV2-EK5 | data/4F/4FV2-EK5/4FV2-EK5_ligand.pdbqt | data/4F/4FV2-EK5/4FV2-EK5_target.pdbqt | data/4F/4FV2-EK5/4FV2-EK5_decoys.pdbqt | data/4F/4FV2-EK5/4FV2-EK5_decoy_scores.csv |
4FCK-GPA | data/4F/4FCK-GPA/4FCK-GPA_ligand.pdbqt | data/4F/4FCK-GPA/4FCK-GPA_target.pdbqt | data/4F/4FCK-GPA/4FCK-GPA_decoys.pdbqt | data/4F/4FCK-GPA/4FCK-GPA_decoy_scores.csv |
4F64-0S8 | data/4F/4F64-0S8/4F64-0S8_ligand.pdbqt | data/4F/4F64-0S8/4F64-0S8_target.pdbqt | data/4F/4F64-0S8/4F64-0S8_decoys.pdbqt | data/4F/4F64-0S8/4F64-0S8_decoy_scores.csv |
4FHF-0TT | data/4F/4FHF-0TT/4FHF-0TT_ligand.pdbqt | data/4F/4FHF-0TT/4FHF-0TT_target.pdbqt | data/4F/4FHF-0TT/4FHF-0TT_decoys.pdbqt | data/4F/4FHF-0TT/4FHF-0TT_decoy_scores.csv |
4FCI-GPA | data/4F/4FCI-GPA/4FCI-GPA_ligand.pdbqt | data/4F/4FCI-GPA/4FCI-GPA_target.pdbqt | data/4F/4FCI-GPA/4FCI-GPA_decoys.pdbqt | data/4F/4FCI-GPA/4FCI-GPA_decoy_scores.csv |
4FYK-SRA | data/4F/4FYK-SRA/4FYK-SRA_ligand.pdbqt | data/4F/4FYK-SRA/4FYK-SRA_target.pdbqt | data/4F/4FYK-SRA/4FYK-SRA_decoys.pdbqt | data/4F/4FYK-SRA/4FYK-SRA_decoy_scores.csv |
4FAG-GTQ | data/4F/4FAG-GTQ/4FAG-GTQ_ligand.pdbqt | data/4F/4FAG-GTQ/4FAG-GTQ_target.pdbqt | data/4F/4FAG-GTQ/4FAG-GTQ_decoys.pdbqt | data/4F/4FAG-GTQ/4FAG-GTQ_decoy_scores.csv |
4FLJ-Y08 | data/4F/4FLJ-Y08/4FLJ-Y08_ligand.pdbqt | data/4F/4FLJ-Y08/4FLJ-Y08_target.pdbqt | data/4F/4FLJ-Y08/4FLJ-Y08_decoys.pdbqt | data/4F/4FLJ-Y08/4FLJ-Y08_decoy_scores.csv |
4FIZ-CUE | data/4F/4FIZ-CUE/4FIZ-CUE_ligand.pdbqt | data/4F/4FIZ-CUE/4FIZ-CUE_target.pdbqt | data/4F/4FIZ-CUE/4FIZ-CUE_decoys.pdbqt | data/4F/4FIZ-CUE/4FIZ-CUE_decoy_scores.csv |
4FOB-0US | data/4F/4FOB-0US/4FOB-0US_ligand.pdbqt | data/4F/4FOB-0US/4FOB-0US_target.pdbqt | data/4F/4FOB-0US/4FOB-0US_decoys.pdbqt | data/4F/4FOB-0US/4FOB-0US_decoy_scores.csv |
4FDO-0T5 | data/4F/4FDO-0T5/4FDO-0T5_ligand.pdbqt | data/4F/4FDO-0T5/4FDO-0T5_target.pdbqt | data/4F/4FDO-0T5/4FDO-0T5_decoys.pdbqt | data/4F/4FDO-0T5/4FDO-0T5_decoy_scores.csv |
4FMS-C8E | data/4F/4FMS-C8E/4FMS-C8E_ligand.pdbqt | data/4F/4FMS-C8E/4FMS-C8E_target.pdbqt | data/4F/4FMS-C8E/4FMS-C8E_decoys.pdbqt | data/4F/4FMS-C8E/4FMS-C8E_decoy_scores.csv |
4F5Y-C2E | data/4F/4F5Y-C2E/4F5Y-C2E_ligand.pdbqt | data/4F/4F5Y-C2E/4F5Y-C2E_target.pdbqt | data/4F/4F5Y-C2E/4F5Y-C2E_decoys.pdbqt | data/4F/4F5Y-C2E/4F5Y-C2E_decoy_scores.csv |
4FR4-STU | data/4F/4FR4-STU/4FR4-STU_ligand.pdbqt | data/4F/4FR4-STU/4FR4-STU_target.pdbqt | data/4F/4FR4-STU/4FR4-STU_decoys.pdbqt | data/4F/4FR4-STU/4FR4-STU_decoy_scores.csv |
4FE2-AIR | data/4F/4FE2-AIR/4FE2-AIR_ligand.pdbqt | data/4F/4FE2-AIR/4FE2-AIR_target.pdbqt | data/4F/4FE2-AIR/4FE2-AIR_decoys.pdbqt | data/4F/4FE2-AIR/4FE2-AIR_decoy_scores.csv |
4F7X-THP | data/4F/4F7X-THP/4F7X-THP_ligand.pdbqt | data/4F/4F7X-THP/4F7X-THP_target.pdbqt | data/4F/4F7X-THP/4F7X-THP_decoys.pdbqt | data/4F/4F7X-THP/4F7X-THP_decoy_scores.csv |
4F84-SAM | data/4F/4F84-SAM/4F84-SAM_ligand.pdbqt | data/4F/4F84-SAM/4F84-SAM_target.pdbqt | data/4F/4F84-SAM/4F84-SAM_decoys.pdbqt | data/4F/4F84-SAM/4F84-SAM_decoy_scores.csv |
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