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 ⌀ |
|---|---|---|---|---|
6BVI-GNP | data/6B/6BVI-GNP/6BVI-GNP_ligand.pdbqt | data/6B/6BVI-GNP/6BVI-GNP_target.pdbqt | data/6B/6BVI-GNP/6BVI-GNP_decoys.pdbqt | data/6B/6BVI-GNP/6BVI-GNP_decoy_scores.csv |
6BBV-D7D | data/6B/6BBV-D7D/6BBV-D7D_ligand.pdbqt | data/6B/6BBV-D7D/6BBV-D7D_target.pdbqt | data/6B/6BBV-D7D/6BBV-D7D_decoys.pdbqt | data/6B/6BBV-D7D/6BBV-D7D_decoy_scores.csv |
6B54-OAQ | data/6B/6B54-OAQ/6B54-OAQ_ligand.pdbqt | data/6B/6B54-OAQ/6B54-OAQ_target.pdbqt | data/6B/6B54-OAQ/6B54-OAQ_decoys.pdbqt | data/6B/6B54-OAQ/6B54-OAQ_decoy_scores.csv |
6BKA-FMN | data/6B/6BKA-FMN/6BKA-FMN_ligand.pdbqt | data/6B/6BKA-FMN/6BKA-FMN_target.pdbqt | data/6B/6BKA-FMN/6BKA-FMN_decoys.pdbqt | data/6B/6BKA-FMN/6BKA-FMN_decoy_scores.csv |
6B80-PE4 | data/6B/6B80-PE4/6B80-PE4_ligand.pdbqt | data/6B/6B80-PE4/6B80-PE4_target.pdbqt | data/6B/6B80-PE4/6B80-PE4_decoys.pdbqt | data/6B/6B80-PE4/6B80-PE4_decoy_scores.csv |
6B0Y-8ZG | data/6B/6B0Y-8ZG/6B0Y-8ZG_ligand.pdbqt | data/6B/6B0Y-8ZG/6B0Y-8ZG_target.pdbqt | data/6B/6B0Y-8ZG/6B0Y-8ZG_decoys.pdbqt | data/6B/6B0Y-8ZG/6B0Y-8ZG_decoy_scores.csv |
6BPM-POG | data/6B/6BPM-POG/6BPM-POG_ligand.pdbqt | data/6B/6BPM-POG/6BPM-POG_target.pdbqt | data/6B/6BPM-POG/6BPM-POG_decoys.pdbqt | data/6B/6BPM-POG/6BPM-POG_decoy_scores.csv |
6BKY-K32 | data/6B/6BKY-K32/6BKY-K32_ligand.pdbqt | data/6B/6BKY-K32/6BKY-K32_target.pdbqt | data/6B/6BKY-K32/6BKY-K32_decoys.pdbqt | data/6B/6BKY-K32/6BKY-K32_decoy_scores.csv |
6BT6-3GK | data/6B/6BT6-3GK/6BT6-3GK_ligand.pdbqt | data/6B/6BT6-3GK/6BT6-3GK_target.pdbqt | data/6B/6BT6-3GK/6BT6-3GK_decoys.pdbqt | data/6B/6BT6-3GK/6BT6-3GK_decoy_scores.csv |
6BL2-DWS | data/6B/6BL2-DWS/6BL2-DWS_ligand.pdbqt | data/6B/6BL2-DWS/6BL2-DWS_target.pdbqt | data/6B/6BL2-DWS/6BL2-DWS_decoys.pdbqt | data/6B/6BL2-DWS/6BL2-DWS_decoy_scores.csv |
6B4Z-A3P | data/6B/6B4Z-A3P/6B4Z-A3P_ligand.pdbqt | data/6B/6B4Z-A3P/6B4Z-A3P_target.pdbqt | null | null |
6B5G-NAD | data/6B/6B5G-NAD/6B5G-NAD_ligand.pdbqt | data/6B/6B5G-NAD/6B5G-NAD_target.pdbqt | data/6B/6B5G-NAD/6B5G-NAD_decoys.pdbqt | data/6B/6B5G-NAD/6B5G-NAD_decoy_scores.csv |
6BBX-D77 | data/6B/6BBX-D77/6BBX-D77_ligand.pdbqt | data/6B/6BBX-D77/6BBX-D77_target.pdbqt | data/6B/6BBX-D77/6BBX-D77_decoys.pdbqt | data/6B/6BBX-D77/6BBX-D77_decoy_scores.csv |
6B0V-C8G | data/6B/6B0V-C8G/6B0V-C8G_ligand.pdbqt | data/6B/6B0V-C8G/6B0V-C8G_target.pdbqt | data/6B/6B0V-C8G/6B0V-C8G_decoys.pdbqt | data/6B/6B0V-C8G/6B0V-C8G_decoy_scores.csv |
6BM5-SAM | data/6B/6BM5-SAM/6BM5-SAM_ligand.pdbqt | data/6B/6BM5-SAM/6BM5-SAM_target.pdbqt | data/6B/6BM5-SAM/6BM5-SAM_decoys.pdbqt | data/6B/6BM5-SAM/6BM5-SAM_decoy_scores.csv |
6B1L-CJ4 | data/6B/6B1L-CJ4/6B1L-CJ4_ligand.pdbqt | data/6B/6B1L-CJ4/6B1L-CJ4_target.pdbqt | data/6B/6B1L-CJ4/6B1L-CJ4_decoys.pdbqt | data/6B/6B1L-CJ4/6B1L-CJ4_decoy_scores.csv |
6BI2-BTN | data/6B/6BI2-BTN/6BI2-BTN_ligand.pdbqt | data/6B/6BI2-BTN/6BI2-BTN_target.pdbqt | data/6B/6BI2-BTN/6BI2-BTN_decoys.pdbqt | data/6B/6BI2-BTN/6BI2-BTN_decoy_scores.csv |
6B5K-TTP | data/6B/6B5K-TTP/6B5K-TTP_ligand.pdbqt | data/6B/6B5K-TTP/6B5K-TTP_target.pdbqt | data/6B/6B5K-TTP/6B5K-TTP_decoys.pdbqt | data/6B/6B5K-TTP/6B5K-TTP_decoy_scores.csv |
6BN5-DZJ | data/6B/6BN5-DZJ/6BN5-DZJ_ligand.pdbqt | data/6B/6BN5-DZJ/6BN5-DZJ_target.pdbqt | data/6B/6BN5-DZJ/6BN5-DZJ_decoys.pdbqt | data/6B/6BN5-DZJ/6BN5-DZJ_decoy_scores.csv |
6BLK-ATP | data/6B/6BLK-ATP/6BLK-ATP_ligand.pdbqt | data/6B/6BLK-ATP/6BLK-ATP_target.pdbqt | data/6B/6BLK-ATP/6BLK-ATP_decoys.pdbqt | data/6B/6BLK-ATP/6BLK-ATP_decoy_scores.csv |
6BHV-DQV | data/6B/6BHV-DQV/6BHV-DQV_ligand.pdbqt | data/6B/6BHV-DQV/6BHV-DQV_target.pdbqt | data/6B/6BHV-DQV/6BHV-DQV_decoys.pdbqt | data/6B/6BHV-DQV/6BHV-DQV_decoy_scores.csv |
6BUL-E9J | data/6B/6BUL-E9J/6BUL-E9J_ligand.pdbqt | data/6B/6BUL-E9J/6BUL-E9J_target.pdbqt | data/6B/6BUL-E9J/6BUL-E9J_decoys.pdbqt | data/6B/6BUL-E9J/6BUL-E9J_decoy_scores.csv |
6BXH-EE7 | data/6B/6BXH-EE7/6BXH-EE7_ligand.pdbqt | data/6B/6BXH-EE7/6BXH-EE7_target.pdbqt | data/6B/6BXH-EE7/6BXH-EE7_decoys.pdbqt | data/6B/6BXH-EE7/6BXH-EE7_decoy_scores.csv |
6BOF-GDP | data/6B/6BOF-GDP/6BOF-GDP_ligand.pdbqt | data/6B/6BOF-GDP/6BOF-GDP_target.pdbqt | data/6B/6BOF-GDP/6BOF-GDP_decoys.pdbqt | data/6B/6BOF-GDP/6BOF-GDP_decoy_scores.csv |
6BU6-E8V | data/6B/6BU6-E8V/6BU6-E8V_ligand.pdbqt | data/6B/6BU6-E8V/6BU6-E8V_target.pdbqt | data/6B/6BU6-E8V/6BU6-E8V_decoys.pdbqt | data/6B/6BU6-E8V/6BU6-E8V_decoy_scores.csv |
6BZC-G6P | data/6B/6BZC-G6P/6BZC-G6P_ligand.pdbqt | data/6B/6BZC-G6P/6BZC-G6P_target.pdbqt | data/6B/6BZC-G6P/6BZC-G6P_decoys.pdbqt | data/6B/6BZC-G6P/6BZC-G6P_decoy_scores.csv |
6BP1-GCP | data/6B/6BP1-GCP/6BP1-GCP_ligand.pdbqt | data/6B/6BP1-GCP/6BP1-GCP_target.pdbqt | data/6B/6BP1-GCP/6BP1-GCP_decoys.pdbqt | data/6B/6BP1-GCP/6BP1-GCP_decoy_scores.csv |
6BOX-SAH | data/6B/6BOX-SAH/6BOX-SAH_ligand.pdbqt | data/6B/6BOX-SAH/6BOX-SAH_target.pdbqt | data/6B/6BOX-SAH/6BOX-SAH_decoys.pdbqt | data/6B/6BOX-SAH/6BOX-SAH_decoy_scores.csv |
6BQZ-TYR | data/6B/6BQZ-TYR/6BQZ-TYR_ligand.pdbqt | data/6B/6BQZ-TYR/6BQZ-TYR_target.pdbqt | data/6B/6BQZ-TYR/6BQZ-TYR_decoys.pdbqt | data/6B/6BQZ-TYR/6BQZ-TYR_decoy_scores.csv |
6B3F-CKV | data/6B/6B3F-CKV/6B3F-CKV_ligand.pdbqt | data/6B/6B3F-CKV/6B3F-CKV_target.pdbqt | data/6B/6B3F-CKV/6B3F-CKV_decoys.pdbqt | data/6B/6B3F-CKV/6B3F-CKV_decoy_scores.csv |
6B97-CZY | data/6B/6B97-CZY/6B97-CZY_ligand.pdbqt | data/6B/6B97-CZY/6B97-CZY_target.pdbqt | data/6B/6B97-CZY/6B97-CZY_decoys.pdbqt | data/6B/6B97-CZY/6B97-CZY_decoy_scores.csv |
6B95-D0P | data/6B/6B95-D0P/6B95-D0P_ligand.pdbqt | data/6B/6B95-D0P/6B95-D0P_target.pdbqt | data/6B/6B95-D0P/6B95-D0P_decoys.pdbqt | data/6B/6B95-D0P/6B95-D0P_decoy_scores.csv |
6BD3-HTL | data/6B/6BD3-HTL/6BD3-HTL_ligand.pdbqt | data/6B/6BD3-HTL/6BD3-HTL_target.pdbqt | data/6B/6BD3-HTL/6BD3-HTL_decoys.pdbqt | data/6B/6BD3-HTL/6BD3-HTL_decoy_scores.csv |
6BSR-PNM | data/6B/6BSR-PNM/6BSR-PNM_ligand.pdbqt | data/6B/6BSR-PNM/6BSR-PNM_target.pdbqt | data/6B/6BSR-PNM/6BSR-PNM_decoys.pdbqt | data/6B/6BSR-PNM/6BSR-PNM_decoy_scores.csv |
6B6Q-XYS | data/6B/6B6Q-XYS/6B6Q-XYS_ligand.pdbqt | data/6B/6B6Q-XYS/6B6Q-XYS_target.pdbqt | data/6B/6B6Q-XYS/6B6Q-XYS_decoys.pdbqt | data/6B/6B6Q-XYS/6B6Q-XYS_decoy_scores.csv |
4YGH-RET | data/4Y/4YGH-RET/4YGH-RET_ligand.pdbqt | data/4Y/4YGH-RET/4YGH-RET_target.pdbqt | data/4Y/4YGH-RET/4YGH-RET_decoys.pdbqt | data/4Y/4YGH-RET/4YGH-RET_decoy_scores.csv |
4Y54-47E | data/4Y/4Y54-47E/4Y54-47E_ligand.pdbqt | data/4Y/4Y54-47E/4Y54-47E_target.pdbqt | data/4Y/4Y54-47E/4Y54-47E_decoys.pdbqt | data/4Y/4Y54-47E/4Y54-47E_decoy_scores.csv |
4YAC-NAI | data/4Y/4YAC-NAI/4YAC-NAI_ligand.pdbqt | data/4Y/4YAC-NAI/4YAC-NAI_target.pdbqt | data/4Y/4YAC-NAI/4YAC-NAI_decoys.pdbqt | data/4Y/4YAC-NAI/4YAC-NAI_decoy_scores.csv |
4YYT-S2O | data/4Y/4YYT-S2O/4YYT-S2O_ligand.pdbqt | data/4Y/4YYT-S2O/4YYT-S2O_target.pdbqt | data/4Y/4YYT-S2O/4YYT-S2O_decoys.pdbqt | data/4Y/4YYT-S2O/4YYT-S2O_decoy_scores.csv |
4YJT-4DQ | data/4Y/4YJT-4DQ/4YJT-4DQ_ligand.pdbqt | data/4Y/4YJT-4DQ/4YJT-4DQ_target.pdbqt | data/4Y/4YJT-4DQ/4YJT-4DQ_decoys.pdbqt | data/4Y/4YJT-4DQ/4YJT-4DQ_decoy_scores.csv |
4Y3X-46P | data/4Y/4Y3X-46P/4Y3X-46P_ligand.pdbqt | data/4Y/4Y3X-46P/4Y3X-46P_target.pdbqt | data/4Y/4Y3X-46P/4Y3X-46P_decoys.pdbqt | data/4Y/4Y3X-46P/4Y3X-46P_decoy_scores.csv |
4YIA-IMN | data/4Y/4YIA-IMN/4YIA-IMN_ligand.pdbqt | data/4Y/4YIA-IMN/4YIA-IMN_target.pdbqt | data/4Y/4YIA-IMN/4YIA-IMN_decoys.pdbqt | data/4Y/4YIA-IMN/4YIA-IMN_decoy_scores.csv |
4YZ2-DAN | data/4Y/4YZ2-DAN/4YZ2-DAN_ligand.pdbqt | data/4Y/4YZ2-DAN/4YZ2-DAN_target.pdbqt | data/4Y/4YZ2-DAN/4YZ2-DAN_decoys.pdbqt | data/4Y/4YZ2-DAN/4YZ2-DAN_decoy_scores.csv |
4YSW-NAI | data/4Y/4YSW-NAI/4YSW-NAI_ligand.pdbqt | data/4Y/4YSW-NAI/4YSW-NAI_target.pdbqt | data/4Y/4YSW-NAI/4YSW-NAI_decoys.pdbqt | data/4Y/4YSW-NAI/4YSW-NAI_decoy_scores.csv |
4YHY-M3L | data/4Y/4YHY-M3L/4YHY-M3L_ligand.pdbqt | data/4Y/4YHY-M3L/4YHY-M3L_target.pdbqt | data/4Y/4YHY-M3L/4YHY-M3L_decoys.pdbqt | data/4Y/4YHY-M3L/4YHY-M3L_decoy_scores.csv |
4YWD-NTM | data/4Y/4YWD-NTM/4YWD-NTM_ligand.pdbqt | data/4Y/4YWD-NTM/4YWD-NTM_target.pdbqt | data/4Y/4YWD-NTM/4YWD-NTM_decoys.pdbqt | data/4Y/4YWD-NTM/4YWD-NTM_decoy_scores.csv |
4YGG-RET | data/4Y/4YGG-RET/4YGG-RET_ligand.pdbqt | data/4Y/4YGG-RET/4YGG-RET_target.pdbqt | data/4Y/4YGG-RET/4YGG-RET_decoys.pdbqt | data/4Y/4YGG-RET/4YGG-RET_decoy_scores.csv |
4YL2-FMN | data/4Y/4YL2-FMN/4YL2-FMN_ligand.pdbqt | data/4Y/4YL2-FMN/4YL2-FMN_target.pdbqt | data/4Y/4YL2-FMN/4YL2-FMN_decoys.pdbqt | data/4Y/4YL2-FMN/4YL2-FMN_decoy_scores.csv |
4YRC-HIS | data/4Y/4YRC-HIS/4YRC-HIS_ligand.pdbqt | data/4Y/4YRC-HIS/4YRC-HIS_target.pdbqt | data/4Y/4YRC-HIS/4YRC-HIS_decoys.pdbqt | data/4Y/4YRC-HIS/4YRC-HIS_decoy_scores.csv |
4YLA-ILV | data/4Y/4YLA-ILV/4YLA-ILV_ligand.pdbqt | data/4Y/4YLA-ILV/4YLA-ILV_target.pdbqt | data/4Y/4YLA-ILV/4YLA-ILV_decoys.pdbqt | data/4Y/4YLA-ILV/4YLA-ILV_decoy_scores.csv |
4Y85-499 | data/4Y/4Y85-499/4Y85-499_ligand.pdbqt | data/4Y/4Y85-499/4Y85-499_target.pdbqt | data/4Y/4Y85-499/4Y85-499_decoys.pdbqt | data/4Y/4Y85-499/4Y85-499_decoy_scores.csv |
4YT1-JJB | data/4Y/4YT1-JJB/4YT1-JJB_ligand.pdbqt | data/4Y/4YT1-JJB/4YT1-JJB_target.pdbqt | data/4Y/4YT1-JJB/4YT1-JJB_decoys.pdbqt | data/4Y/4YT1-JJB/4YT1-JJB_decoy_scores.csv |
4Y2H-49K | data/4Y/4Y2H-49K/4Y2H-49K_ligand.pdbqt | data/4Y/4Y2H-49K/4Y2H-49K_target.pdbqt | data/4Y/4Y2H-49K/4Y2H-49K_decoys.pdbqt | data/4Y/4Y2H-49K/4Y2H-49K_decoy_scores.csv |
4YH5-ADP | data/4Y/4YH5-ADP/4YH5-ADP_ligand.pdbqt | data/4Y/4YH5-ADP/4YH5-ADP_target.pdbqt | data/4Y/4YH5-ADP/4YH5-ADP_decoys.pdbqt | data/4Y/4YH5-ADP/4YH5-ADP_decoy_scores.csv |
4YKR-4EP | data/4Y/4YKR-4EP/4YKR-4EP_ligand.pdbqt | data/4Y/4YKR-4EP/4YKR-4EP_target.pdbqt | data/4Y/4YKR-4EP/4YKR-4EP_decoys.pdbqt | data/4Y/4YKR-4EP/4YKR-4EP_decoy_scores.csv |
4YCK-78B | data/4Y/4YCK-78B/4YCK-78B_ligand.pdbqt | data/4Y/4YCK-78B/4YCK-78B_target.pdbqt | data/4Y/4YCK-78B/4YCK-78B_decoys.pdbqt | data/4Y/4YCK-78B/4YCK-78B_decoy_scores.csv |
4YNB-4EH | data/4Y/4YNB-4EH/4YNB-4EH_ligand.pdbqt | data/4Y/4YNB-4EH/4YNB-4EH_target.pdbqt | data/4Y/4YNB-4EH/4YNB-4EH_decoys.pdbqt | data/4Y/4YNB-4EH/4YNB-4EH_decoy_scores.csv |
4Y7U-2KH | data/4Y/4Y7U-2KH/4Y7U-2KH_ligand.pdbqt | data/4Y/4Y7U-2KH/4Y7U-2KH_target.pdbqt | data/4Y/4Y7U-2KH/4Y7U-2KH_decoys.pdbqt | data/4Y/4Y7U-2KH/4Y7U-2KH_decoy_scores.csv |
4YJ5-FBP | data/4Y/4YJ5-FBP/4YJ5-FBP_ligand.pdbqt | data/4Y/4YJ5-FBP/4YJ5-FBP_target.pdbqt | data/4Y/4YJ5-FBP/4YJ5-FBP_decoys.pdbqt | data/4Y/4YJ5-FBP/4YJ5-FBP_decoy_scores.csv |
4Y6P-R77 | data/4Y/4Y6P-R77/4Y6P-R77_ligand.pdbqt | data/4Y/4Y6P-R77/4Y6P-R77_target.pdbqt | data/4Y/4Y6P-R77/4Y6P-R77_decoys.pdbqt | data/4Y/4Y6P-R77/4Y6P-R77_decoy_scores.csv |
4YTT-PUD | data/4Y/4YTT-PUD/4YTT-PUD_ligand.pdbqt | data/4Y/4YTT-PUD/4YTT-PUD_target.pdbqt | data/4Y/4YTT-PUD/4YTT-PUD_decoys.pdbqt | data/4Y/4YTT-PUD/4YTT-PUD_decoy_scores.csv |
4YV0-S4M | data/4Y/4YV0-S4M/4YV0-S4M_ligand.pdbqt | data/4Y/4YV0-S4M/4YV0-S4M_target.pdbqt | data/4Y/4YV0-S4M/4YV0-S4M_decoys.pdbqt | data/4Y/4YV0-S4M/4YV0-S4M_decoy_scores.csv |
4YBI-4B2 | data/4Y/4YBI-4B2/4YBI-4B2_ligand.pdbqt | data/4Y/4YBI-4B2/4YBI-4B2_target.pdbqt | data/4Y/4YBI-4B2/4YBI-4B2_decoys.pdbqt | data/4Y/4YBI-4B2/4YBI-4B2_decoy_scores.csv |
4YB6-HIS | data/4Y/4YB6-HIS/4YB6-HIS_ligand.pdbqt | data/4Y/4YB6-HIS/4YB6-HIS_target.pdbqt | data/4Y/4YB6-HIS/4YB6-HIS_decoys.pdbqt | data/4Y/4YB6-HIS/4YB6-HIS_decoy_scores.csv |
4YCU-KRS | data/4Y/4YCU-KRS/4YCU-KRS_ligand.pdbqt | data/4Y/4YCU-KRS/4YCU-KRS_target.pdbqt | data/4Y/4YCU-KRS/4YCU-KRS_decoys.pdbqt | data/4Y/4YCU-KRS/4YCU-KRS_decoy_scores.csv |
4YK5-JZR | data/4Y/4YK5-JZR/4YK5-JZR_ligand.pdbqt | data/4Y/4YK5-JZR/4YK5-JZR_target.pdbqt | data/4Y/4YK5-JZR/4YK5-JZR_decoys.pdbqt | data/4Y/4YK5-JZR/4YK5-JZR_decoy_scores.csv |
4YPY-FLC | data/4Y/4YPY-FLC/4YPY-FLC_ligand.pdbqt | data/4Y/4YPY-FLC/4YPY-FLC_target.pdbqt | data/4Y/4YPY-FLC/4YPY-FLC_decoys.pdbqt | data/4Y/4YPY-FLC/4YPY-FLC_decoy_scores.csv |
4YDB-RET | data/4Y/4YDB-RET/4YDB-RET_ligand.pdbqt | data/4Y/4YDB-RET/4YDB-RET_target.pdbqt | data/4Y/4YDB-RET/4YDB-RET_decoys.pdbqt | data/4Y/4YDB-RET/4YDB-RET_decoy_scores.csv |
4YQC-EFW | data/4Y/4YQC-EFW/4YQC-EFW_ligand.pdbqt | data/4Y/4YQC-EFW/4YQC-EFW_target.pdbqt | data/4Y/4YQC-EFW/4YQC-EFW_decoys.pdbqt | data/4Y/4YQC-EFW/4YQC-EFW_decoy_scores.csv |
4Y63-BHE | data/4Y/4Y63-BHE/4Y63-BHE_ligand.pdbqt | data/4Y/4Y63-BHE/4Y63-BHE_target.pdbqt | data/4Y/4Y63-BHE/4Y63-BHE_decoys.pdbqt | data/4Y/4Y63-BHE/4Y63-BHE_decoy_scores.csv |
4YKQ-4EO | data/4Y/4YKQ-4EO/4YKQ-4EO_ligand.pdbqt | data/4Y/4YKQ-4EO/4YKQ-4EO_target.pdbqt | data/4Y/4YKQ-4EO/4YKQ-4EO_decoys.pdbqt | data/4Y/4YKQ-4EO/4YKQ-4EO_decoy_scores.csv |
4YL0-4DZ | data/4Y/4YL0-4DZ/4YL0-4DZ_ligand.pdbqt | data/4Y/4YL0-4DZ/4YL0-4DZ_target.pdbqt | data/4Y/4YL0-4DZ/4YL0-4DZ_decoys.pdbqt | data/4Y/4YL0-4DZ/4YL0-4DZ_decoy_scores.csv |
4YU0-GLU | data/4Y/4YU0-GLU/4YU0-GLU_ligand.pdbqt | data/4Y/4YU0-GLU/4YU0-GLU_target.pdbqt | data/4Y/4YU0-GLU/4YU0-GLU_decoys.pdbqt | data/4Y/4YU0-GLU/4YU0-GLU_decoy_scores.csv |
4YU1-53N | data/4Y/4YU1-53N/4YU1-53N_ligand.pdbqt | data/4Y/4YU1-53N/4YU1-53N_target.pdbqt | data/4Y/4YU1-53N/4YU1-53N_decoys.pdbqt | data/4Y/4YU1-53N/4YU1-53N_decoy_scores.csv |
4YYV-16P | data/4Y/4YYV-16P/4YYV-16P_ligand.pdbqt | data/4Y/4YYV-16P/4YYV-16P_target.pdbqt | data/4Y/4YYV-16P/4YYV-16P_decoys.pdbqt | data/4Y/4YYV-16P/4YYV-16P_decoy_scores.csv |
4Y2H-SAH | data/4Y/4Y2H-SAH/4Y2H-SAH_ligand.pdbqt | data/4Y/4Y2H-SAH/4Y2H-SAH_target.pdbqt | data/4Y/4Y2H-SAH/4Y2H-SAH_decoys.pdbqt | data/4Y/4Y2H-SAH/4Y2H-SAH_decoy_scores.csv |
4Y2Q-49N | data/4Y/4Y2Q-49N/4Y2Q-49N_ligand.pdbqt | data/4Y/4Y2Q-49N/4Y2Q-49N_target.pdbqt | data/4Y/4Y2Q-49N/4Y2Q-49N_decoys.pdbqt | data/4Y/4Y2Q-49N/4Y2Q-49N_decoy_scores.csv |
4YU7-PE4 | data/4Y/4YU7-PE4/4YU7-PE4_ligand.pdbqt | data/4Y/4YU7-PE4/4YU7-PE4_target.pdbqt | data/4Y/4YU7-PE4/4YU7-PE4_decoys.pdbqt | data/4Y/4YU7-PE4/4YU7-PE4_decoy_scores.csv |
4YIH-2O2 | data/4Y/4YIH-2O2/4YIH-2O2_ligand.pdbqt | data/4Y/4YIH-2O2/4YIH-2O2_target.pdbqt | data/4Y/4YIH-2O2/4YIH-2O2_decoys.pdbqt | data/4Y/4YIH-2O2/4YIH-2O2_decoy_scores.csv |
4Y6R-RF7 | data/4Y/4Y6R-RF7/4Y6R-RF7_ligand.pdbqt | data/4Y/4Y6R-RF7/4Y6R-RF7_target.pdbqt | data/4Y/4Y6R-RF7/4Y6R-RF7_decoys.pdbqt | data/4Y/4Y6R-RF7/4Y6R-RF7_decoy_scores.csv |
4YRM-HIS | data/4Y/4YRM-HIS/4YRM-HIS_ligand.pdbqt | data/4Y/4YRM-HIS/4YRM-HIS_target.pdbqt | data/4Y/4YRM-HIS/4YRM-HIS_decoys.pdbqt | data/4Y/4YRM-HIS/4YRM-HIS_decoy_scores.csv |
4YS0-ADP | data/4Y/4YS0-ADP/4YS0-ADP_ligand.pdbqt | data/4Y/4YS0-ADP/4YS0-ADP_target.pdbqt | data/4Y/4YS0-ADP/4YS0-ADP_decoys.pdbqt | data/4Y/4YS0-ADP/4YS0-ADP_decoy_scores.csv |
4YUY-1SQ | data/4Y/4YUY-1SQ/4YUY-1SQ_ligand.pdbqt | data/4Y/4YUY-1SQ/4YUY-1SQ_target.pdbqt | data/4Y/4YUY-1SQ/4YUY-1SQ_decoys.pdbqt | data/4Y/4YUY-1SQ/4YUY-1SQ_decoy_scores.csv |
4YJI-CXS | data/4Y/4YJI-CXS/4YJI-CXS_ligand.pdbqt | data/4Y/4YJI-CXS/4YJI-CXS_target.pdbqt | data/4Y/4YJI-CXS/4YJI-CXS_decoys.pdbqt | data/4Y/4YJI-CXS/4YJI-CXS_decoy_scores.csv |
4Y46-4F2 | data/4Y/4Y46-4F2/4Y46-4F2_ligand.pdbqt | data/4Y/4Y46-4F2/4Y46-4F2_target.pdbqt | data/4Y/4Y46-4F2/4Y46-4F2_decoys.pdbqt | data/4Y/4Y46-4F2/4Y46-4F2_decoy_scores.csv |
4YQL-4H4 | data/4Y/4YQL-4H4/4YQL-4H4_ligand.pdbqt | data/4Y/4YQL-4H4/4YQL-4H4_target.pdbqt | data/4Y/4YQL-4H4/4YQL-4H4_decoys.pdbqt | data/4Y/4YQL-4H4/4YQL-4H4_decoy_scores.csv |
4Y76-4O1 | data/4Y/4Y76-4O1/4Y76-4O1_ligand.pdbqt | data/4Y/4Y76-4O1/4Y76-4O1_target.pdbqt | data/4Y/4Y76-4O1/4Y76-4O1_decoys.pdbqt | data/4Y/4Y76-4O1/4Y76-4O1_decoy_scores.csv |
4Y2S-49P | data/4Y/4Y2S-49P/4Y2S-49P_ligand.pdbqt | data/4Y/4Y2S-49P/4Y2S-49P_target.pdbqt | data/4Y/4Y2S-49P/4Y2S-49P_decoys.pdbqt | data/4Y/4Y2S-49P/4Y2S-49P_decoy_scores.csv |
4YVX-GMR | data/4Y/4YVX-GMR/4YVX-GMR_ligand.pdbqt | data/4Y/4YVX-GMR/4YVX-GMR_target.pdbqt | data/4Y/4YVX-GMR/4YVX-GMR_decoys.pdbqt | data/4Y/4YVX-GMR/4YVX-GMR_decoy_scores.csv |
4YNU-LGC | data/4Y/4YNU-LGC/4YNU-LGC_ligand.pdbqt | data/4Y/4YNU-LGC/4YNU-LGC_target.pdbqt | data/4Y/4YNU-LGC/4YNU-LGC_decoys.pdbqt | data/4Y/4YNU-LGC/4YNU-LGC_decoy_scores.csv |
4Y95-746 | data/4Y/4Y95-746/4Y95-746_ligand.pdbqt | data/4Y/4Y95-746/4Y95-746_target.pdbqt | data/4Y/4Y95-746/4Y95-746_decoys.pdbqt | data/4Y/4Y95-746/4Y95-746_decoy_scores.csv |
4YQN-4H3 | data/4Y/4YQN-4H3/4YQN-4H3_ligand.pdbqt | data/4Y/4YQN-4H3/4YQN-4H3_target.pdbqt | data/4Y/4YQN-4H3/4YQN-4H3_decoys.pdbqt | data/4Y/4YQN-4H3/4YQN-4H3_decoy_scores.csv |
4YJV-4DT | data/4Y/4YJV-4DT/4YJV-4DT_ligand.pdbqt | data/4Y/4YJV-4DT/4YJV-4DT_target.pdbqt | data/4Y/4YJV-4DT/4YJV-4DT_decoys.pdbqt | data/4Y/4YJV-4DT/4YJV-4DT_decoy_scores.csv |
4Y63-48O | data/4Y/4Y63-48O/4Y63-48O_ligand.pdbqt | data/4Y/4Y63-48O/4Y63-48O_target.pdbqt | data/4Y/4Y63-48O/4Y63-48O_decoys.pdbqt | data/4Y/4Y63-48O/4Y63-48O_decoy_scores.csv |
4YQJ-4GT | data/4Y/4YQJ-4GT/4YQJ-4GT_ligand.pdbqt | data/4Y/4YQJ-4GT/4YQJ-4GT_target.pdbqt | data/4Y/4YQJ-4GT/4YQJ-4GT_decoys.pdbqt | data/4Y/4YQJ-4GT/4YQJ-4GT_decoy_scores.csv |
4Y5G-47U | data/4Y/4Y5G-47U/4Y5G-47U_ligand.pdbqt | data/4Y/4Y5G-47U/4Y5G-47U_target.pdbqt | data/4Y/4Y5G-47U/4Y5G-47U_decoys.pdbqt | data/4Y/4Y5G-47U/4Y5G-47U_decoy_scores.csv |
4YWH-XYP | data/4Y/4YWH-XYP/4YWH-XYP_ligand.pdbqt | data/4Y/4YWH-XYP/4YWH-XYP_target.pdbqt | data/4Y/4YWH-XYP/4YWH-XYP_decoys.pdbqt | data/4Y/4YWH-XYP/4YWH-XYP_decoy_scores.csv |
4YTY-NAI | data/4Y/4YTY-NAI/4YTY-NAI_ligand.pdbqt | data/4Y/4YTY-NAI/4YTY-NAI_target.pdbqt | data/4Y/4YTY-NAI/4YTY-NAI_decoys.pdbqt | data/4Y/4YTY-NAI/4YTY-NAI_decoy_scores.csv |
4Y0D-RW2 | data/4Y/4Y0D-RW2/4Y0D-RW2_ligand.pdbqt | data/4Y/4Y0D-RW2/4Y0D-RW2_target.pdbqt | data/4Y/4Y0D-RW2/4Y0D-RW2_decoys.pdbqt | data/4Y/4Y0D-RW2/4Y0D-RW2_decoy_scores.csv |
4YRT-781 | data/4Y/4YRT-781/4YRT-781_ligand.pdbqt | data/4Y/4YRT-781/4YRT-781_target.pdbqt | data/4Y/4YRT-781/4YRT-781_decoys.pdbqt | data/4Y/4YRT-781/4YRT-781_decoy_scores.csv |
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