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 ⌀ |
|---|---|---|---|---|
3KN0-3TO | data/3K/3KN0-3TO/3KN0-3TO_ligand.pdbqt | data/3K/3KN0-3TO/3KN0-3TO_target.pdbqt | data/3K/3KN0-3TO/3KN0-3TO_decoys.pdbqt | data/3K/3KN0-3TO/3KN0-3TO_decoy_scores.csv |
3KFY-JZM | data/3K/3KFY-JZM/3KFY-JZM_ligand.pdbqt | data/3K/3KFY-JZM/3KFY-JZM_target.pdbqt | data/3K/3KFY-JZM/3KFY-JZM_decoys.pdbqt | data/3K/3KFY-JZM/3KFY-JZM_decoy_scores.csv |
3KDI-A8S | data/3K/3KDI-A8S/3KDI-A8S_ligand.pdbqt | data/3K/3KDI-A8S/3KDI-A8S_target.pdbqt | data/3K/3KDI-A8S/3KDI-A8S_decoys.pdbqt | data/3K/3KDI-A8S/3KDI-A8S_decoy_scores.csv |
3KMC-INN | data/3K/3KMC-INN/3KMC-INN_ligand.pdbqt | data/3K/3KMC-INN/3KMC-INN_target.pdbqt | data/3K/3KMC-INN/3KMC-INN_decoys.pdbqt | data/3K/3KMC-INN/3KMC-INN_decoy_scores.csv |
3KV3-3PG | data/3K/3KV3-3PG/3KV3-3PG_ligand.pdbqt | data/3K/3KV3-3PG/3KV3-3PG_target.pdbqt | data/3K/3KV3-3PG/3KV3-3PG_decoys.pdbqt | data/3K/3KV3-3PG/3KV3-3PG_decoy_scores.csv |
3KRR-DQX | data/3K/3KRR-DQX/3KRR-DQX_ligand.pdbqt | data/3K/3KRR-DQX/3KRR-DQX_target.pdbqt | data/3K/3KRR-DQX/3KRR-DQX_decoys.pdbqt | data/3K/3KRR-DQX/3KRR-DQX_decoy_scores.csv |
3KUM-ARG | data/3K/3KUM-ARG/3KUM-ARG_ligand.pdbqt | data/3K/3KUM-ARG/3KUM-ARG_target.pdbqt | data/3K/3KUM-ARG/3KUM-ARG_decoys.pdbqt | data/3K/3KUM-ARG/3KUM-ARG_decoy_scores.csv |
3KW1-ENW | data/3K/3KW1-ENW/3KW1-ENW_ligand.pdbqt | data/3K/3KW1-ENW/3KW1-ENW_target.pdbqt | data/3K/3KW1-ENW/3KW1-ENW_decoys.pdbqt | data/3K/3KW1-ENW/3KW1-ENW_decoy_scores.csv |
3K4F-Q86 | data/3K/3K4F-Q86/3K4F-Q86_ligand.pdbqt | data/3K/3K4F-Q86/3K4F-Q86_target.pdbqt | data/3K/3K4F-Q86/3K4F-Q86_decoys.pdbqt | data/3K/3K4F-Q86/3K4F-Q86_decoy_scores.csv |
3K13-THH | data/3K/3K13-THH/3K13-THH_ligand.pdbqt | data/3K/3K13-THH/3K13-THH_target.pdbqt | data/3K/3K13-THH/3K13-THH_decoys.pdbqt | data/3K/3K13-THH/3K13-THH_decoy_scores.csv |
3K8C-RES | data/3K/3K8C-RES/3K8C-RES_ligand.pdbqt | data/3K/3K8C-RES/3K8C-RES_target.pdbqt | data/3K/3K8C-RES/3K8C-RES_decoys.pdbqt | data/3K/3K8C-RES/3K8C-RES_decoy_scores.csv |
3KHU-UPG | data/3K/3KHU-UPG/3KHU-UPG_ligand.pdbqt | data/3K/3KHU-UPG/3KHU-UPG_target.pdbqt | data/3K/3KHU-UPG/3KHU-UPG_decoys.pdbqt | data/3K/3KHU-UPG/3KHU-UPG_decoy_scores.csv |
3KPK-LMT | data/3K/3KPK-LMT/3KPK-LMT_ligand.pdbqt | data/3K/3KPK-LMT/3KPK-LMT_target.pdbqt | data/3K/3KPK-LMT/3KPK-LMT_decoys.pdbqt | data/3K/3KPK-LMT/3KPK-LMT_decoy_scores.csv |
3KRZ-TXD | data/3K/3KRZ-TXD/3KRZ-TXD_ligand.pdbqt | data/3K/3KRZ-TXD/3KRZ-TXD_target.pdbqt | data/3K/3KRZ-TXD/3KRZ-TXD_decoys.pdbqt | data/3K/3KRZ-TXD/3KRZ-TXD_decoy_scores.csv |
3K5E-K5E | data/3K/3K5E-K5E/3K5E-K5E_ligand.pdbqt | data/3K/3K5E-K5E/3K5E-K5E_target.pdbqt | data/3K/3K5E-K5E/3K5E-K5E_decoys.pdbqt | data/3K/3K5E-K5E/3K5E-K5E_decoy_scores.csv |
3K2V-CMK | data/3K/3K2V-CMK/3K2V-CMK_ligand.pdbqt | data/3K/3K2V-CMK/3K2V-CMK_target.pdbqt | data/3K/3K2V-CMK/3K2V-CMK_decoys.pdbqt | data/3K/3K2V-CMK/3K2V-CMK_decoy_scores.csv |
3KQB-LGJ | data/3K/3KQB-LGJ/3KQB-LGJ_ligand.pdbqt | data/3K/3KQB-LGJ/3KQB-LGJ_target.pdbqt | data/3K/3KQB-LGJ/3KQB-LGJ_decoys.pdbqt | data/3K/3KQB-LGJ/3KQB-LGJ_decoy_scores.csv |
3KQV-SAH | data/3K/3KQV-SAH/3KQV-SAH_ligand.pdbqt | data/3K/3KQV-SAH/3KQV-SAH_target.pdbqt | data/3K/3KQV-SAH/3KQV-SAH_decoys.pdbqt | data/3K/3KQV-SAH/3KQV-SAH_decoy_scores.csv |
3K7F-F2C | data/3K/3K7F-F2C/3K7F-F2C_ligand.pdbqt | data/3K/3K7F-F2C/3K7F-F2C_target.pdbqt | data/3K/3K7F-F2C/3K7F-F2C_decoys.pdbqt | data/3K/3K7F-F2C/3K7F-F2C_decoy_scores.csv |
3K2P-JTH | data/3K/3K2P-JTH/3K2P-JTH_ligand.pdbqt | data/3K/3K2P-JTH/3K2P-JTH_target.pdbqt | data/3K/3K2P-JTH/3K2P-JTH_decoys.pdbqt | data/3K/3K2P-JTH/3K2P-JTH_decoy_scores.csv |
3K8T-2A5 | data/3K/3K8T-2A5/3K8T-2A5_ligand.pdbqt | data/3K/3K8T-2A5/3K8T-2A5_target.pdbqt | data/3K/3K8T-2A5/3K8T-2A5_decoys.pdbqt | data/3K/3K8T-2A5/3K8T-2A5_decoy_scores.csv |
3KEN-ZZD | data/3K/3KEN-ZZD/3KEN-ZZD_ligand.pdbqt | data/3K/3KEN-ZZD/3KEN-ZZD_target.pdbqt | data/3K/3KEN-ZZD/3KEN-ZZD_decoys.pdbqt | data/3K/3KEN-ZZD/3KEN-ZZD_decoy_scores.csv |
3KVJ-FMN | data/3K/3KVJ-FMN/3KVJ-FMN_ligand.pdbqt | data/3K/3KVJ-FMN/3KVJ-FMN_target.pdbqt | data/3K/3KVJ-FMN/3KVJ-FMN_decoys.pdbqt | data/3K/3KVJ-FMN/3KVJ-FMN_decoy_scores.csv |
3K9W-ADE | data/3K/3K9W-ADE/3K9W-ADE_ligand.pdbqt | data/3K/3K9W-ADE/3K9W-ADE_target.pdbqt | data/3K/3K9W-ADE/3K9W-ADE_decoys.pdbqt | data/3K/3K9W-ADE/3K9W-ADE_decoy_scores.csv |
3KCO-GLO | data/3K/3KCO-GLO/3KCO-GLO_ligand.pdbqt | data/3K/3KCO-GLO/3KCO-GLO_target.pdbqt | null | null |
3KQO-SAH | data/3K/3KQO-SAH/3KQO-SAH_ligand.pdbqt | data/3K/3KQO-SAH/3KQO-SAH_target.pdbqt | data/3K/3KQO-SAH/3KQO-SAH_decoys.pdbqt | data/3K/3KQO-SAH/3KQO-SAH_decoy_scores.csv |
3KFX-MCY | data/3K/3KFX-MCY/3KFX-MCY_ligand.pdbqt | data/3K/3KFX-MCY/3KFX-MCY_target.pdbqt | data/3K/3KFX-MCY/3KFX-MCY_decoys.pdbqt | data/3K/3KFX-MCY/3KFX-MCY_decoy_scores.csv |
3K5C-0BI | data/3K/3K5C-0BI/3K5C-0BI_ligand.pdbqt | data/3K/3K5C-0BI/3K5C-0BI_target.pdbqt | data/3K/3K5C-0BI/3K5C-0BI_decoys.pdbqt | data/3K/3K5C-0BI/3K5C-0BI_decoy_scores.csv |
3KYC-JZU | data/3K/3KYC-JZU/3KYC-JZU_ligand.pdbqt | data/3K/3KYC-JZU/3KYC-JZU_target.pdbqt | data/3K/3KYC-JZU/3KYC-JZU_decoys.pdbqt | data/3K/3KYC-JZU/3KYC-JZU_decoy_scores.csv |
3KGC-ZK1 | data/3K/3KGC-ZK1/3KGC-ZK1_ligand.pdbqt | data/3K/3KGC-ZK1/3KGC-ZK1_target.pdbqt | data/3K/3KGC-ZK1/3KGC-ZK1_decoys.pdbqt | data/3K/3KGC-ZK1/3KGC-ZK1_decoy_scores.csv |
3KQP-SAH | data/3K/3KQP-SAH/3KQP-SAH_ligand.pdbqt | data/3K/3KQP-SAH/3KQP-SAH_target.pdbqt | data/3K/3KQP-SAH/3KQP-SAH_decoys.pdbqt | data/3K/3KQP-SAH/3KQP-SAH_decoy_scores.csv |
3K22-JZS | data/3K/3K22-JZS/3K22-JZS_ligand.pdbqt | data/3K/3K22-JZS/3K22-JZS_target.pdbqt | data/3K/3K22-JZS/3K22-JZS_decoys.pdbqt | data/3K/3K22-JZS/3K22-JZS_decoy_scores.csv |
3K1W-BFX | data/3K/3K1W-BFX/3K1W-BFX_ligand.pdbqt | data/3K/3K1W-BFX/3K1W-BFX_target.pdbqt | data/3K/3K1W-BFX/3K1W-BFX_decoys.pdbqt | data/3K/3K1W-BFX/3K1W-BFX_decoy_scores.csv |
3KVJ-DET | data/3K/3KVJ-DET/3KVJ-DET_ligand.pdbqt | data/3K/3KVJ-DET/3KVJ-DET_target.pdbqt | data/3K/3KVJ-DET/3KVJ-DET_decoys.pdbqt | data/3K/3KVJ-DET/3KVJ-DET_decoy_scores.csv |
3K97-4CD | data/3K/3K97-4CD/3K97-4CD_ligand.pdbqt | data/3K/3K97-4CD/3K97-4CD_target.pdbqt | data/3K/3K97-4CD/3K97-4CD_decoys.pdbqt | data/3K/3K97-4CD/3K97-4CD_decoy_scores.csv |
3KAP-FMN | data/3K/3KAP-FMN/3KAP-FMN_ligand.pdbqt | data/3K/3KAP-FMN/3KAP-FMN_target.pdbqt | data/3K/3KAP-FMN/3KAP-FMN_decoys.pdbqt | data/3K/3KAP-FMN/3KAP-FMN_decoy_scores.csv |
3KFR-1F1 | data/3K/3KFR-1F1/3KFR-1F1_ligand.pdbqt | data/3K/3KFR-1F1/3KFR-1F1_target.pdbqt | data/3K/3KFR-1F1/3KFR-1F1_decoys.pdbqt | data/3K/3KFR-1F1/3KFR-1F1_decoy_scores.csv |
3KE1-829 | data/3K/3KE1-829/3KE1-829_ligand.pdbqt | data/3K/3KE1-829/3KE1-829_target.pdbqt | data/3K/3KE1-829/3KE1-829_decoys.pdbqt | data/3K/3KE1-829/3KE1-829_decoy_scores.csv |
3K9V-CPS | data/3K/3K9V-CPS/3K9V-CPS_ligand.pdbqt | data/3K/3K9V-CPS/3K9V-CPS_target.pdbqt | data/3K/3K9V-CPS/3K9V-CPS_decoys.pdbqt | data/3K/3K9V-CPS/3K9V-CPS_decoy_scores.csv |
3KCE-4BY | data/3K/3KCE-4BY/3KCE-4BY_ligand.pdbqt | data/3K/3KCE-4BY/3KCE-4BY_target.pdbqt | data/3K/3KCE-4BY/3KCE-4BY_decoys.pdbqt | data/3K/3KCE-4BY/3KCE-4BY_decoy_scores.csv |
3KWF-B1Q | data/3K/3KWF-B1Q/3KWF-B1Q_ligand.pdbqt | data/3K/3KWF-B1Q/3KWF-B1Q_target.pdbqt | data/3K/3KWF-B1Q/3KWF-B1Q_decoys.pdbqt | data/3K/3KWF-B1Q/3KWF-B1Q_decoy_scores.csv |
3K1A-HCA | data/3K/3K1A-HCA/3K1A-HCA_ligand.pdbqt | data/3K/3K1A-HCA/3K1A-HCA_target.pdbqt | null | null |
3KJG-ADP | data/3K/3KJG-ADP/3KJG-ADP_ligand.pdbqt | data/3K/3KJG-ADP/3KJG-ADP_target.pdbqt | data/3K/3KJG-ADP/3KJG-ADP_decoys.pdbqt | data/3K/3KJG-ADP/3KJG-ADP_decoy_scores.csv |
3KXZ-925 | data/3K/3KXZ-925/3KXZ-925_ligand.pdbqt | data/3K/3KXZ-925/3KXZ-925_target.pdbqt | data/3K/3KXZ-925/3KXZ-925_decoys.pdbqt | data/3K/3KXZ-925/3KXZ-925_decoy_scores.csv |
3KGC-LY7 | data/3K/3KGC-LY7/3KGC-LY7_ligand.pdbqt | data/3K/3KGC-LY7/3KGC-LY7_target.pdbqt | data/3K/3KGC-LY7/3KGC-LY7_decoys.pdbqt | data/3K/3KGC-LY7/3KGC-LY7_decoy_scores.csv |
3KW2-ADN | data/3K/3KW2-ADN/3KW2-ADN_ligand.pdbqt | data/3K/3KW2-ADN/3KW2-ADN_target.pdbqt | data/3K/3KW2-ADN/3KW2-ADN_decoys.pdbqt | data/3K/3KW2-ADN/3KW2-ADN_decoy_scores.csv |
3KGT-GEN | data/3K/3KGT-GEN/3KGT-GEN_ligand.pdbqt | data/3K/3KGT-GEN/3KGT-GEN_target.pdbqt | data/3K/3KGT-GEN/3KGT-GEN_decoys.pdbqt | data/3K/3KGT-GEN/3KGT-GEN_decoy_scores.csv |
3KTX-PTK | data/3K/3KTX-PTK/3KTX-PTK_ligand.pdbqt | data/3K/3KTX-PTK/3KTX-PTK_target.pdbqt | data/3K/3KTX-PTK/3KTX-PTK_decoys.pdbqt | data/3K/3KTX-PTK/3KTX-PTK_decoy_scores.csv |
3K5K-DXQ | data/3K/3K5K-DXQ/3K5K-DXQ_ligand.pdbqt | data/3K/3K5K-DXQ/3K5K-DXQ_target.pdbqt | data/3K/3K5K-DXQ/3K5K-DXQ_decoys.pdbqt | data/3K/3K5K-DXQ/3K5K-DXQ_decoy_scores.csv |
3K34-SUA | data/3K/3K34-SUA/3K34-SUA_ligand.pdbqt | data/3K/3K34-SUA/3K34-SUA_target.pdbqt | data/3K/3K34-SUA/3K34-SUA_decoys.pdbqt | data/3K/3K34-SUA/3K34-SUA_decoy_scores.csv |
3KQQ-ES6 | data/3K/3KQQ-ES6/3KQQ-ES6_ligand.pdbqt | data/3K/3KQQ-ES6/3KQQ-ES6_target.pdbqt | data/3K/3KQQ-ES6/3KQQ-ES6_decoys.pdbqt | data/3K/3KQQ-ES6/3KQQ-ES6_decoy_scores.csv |
3KL3-BDP | data/3K/3KL3-BDP/3KL3-BDP_ligand.pdbqt | data/3K/3KL3-BDP/3KL3-BDP_target.pdbqt | data/3K/3KL3-BDP/3KL3-BDP_decoys.pdbqt | data/3K/3KL3-BDP/3KL3-BDP_decoy_scores.csv |
3KJI-ADP | data/3K/3KJI-ADP/3KJI-ADP_ligand.pdbqt | data/3K/3KJI-ADP/3KJI-ADP_target.pdbqt | data/3K/3KJI-ADP/3KJI-ADP_decoys.pdbqt | data/3K/3KJI-ADP/3KJI-ADP_decoy_scores.csv |
3KCL-GLC | data/3K/3KCL-GLC/3KCL-GLC_ligand.pdbqt | data/3K/3KCL-GLC/3KCL-GLC_target.pdbqt | null | null |
3K5G-BJC | data/3K/3K5G-BJC/3K5G-BJC_ligand.pdbqt | data/3K/3K5G-BJC/3K5G-BJC_target.pdbqt | data/3K/3K5G-BJC/3K5G-BJC_decoys.pdbqt | data/3K/3K5G-BJC/3K5G-BJC_decoy_scores.csv |
3KBZ-2T4 | data/3K/3KBZ-2T4/3KBZ-2T4_ligand.pdbqt | data/3K/3KBZ-2T4/3KBZ-2T4_target.pdbqt | data/3K/3KBZ-2T4/3KBZ-2T4_decoys.pdbqt | data/3K/3KBZ-2T4/3KBZ-2T4_decoy_scores.csv |
3KQO-ES4 | data/3K/3KQO-ES4/3KQO-ES4_ligand.pdbqt | data/3K/3KQO-ES4/3KQO-ES4_target.pdbqt | data/3K/3KQO-ES4/3KQO-ES4_decoys.pdbqt | data/3K/3KQO-ES4/3KQO-ES4_decoy_scores.csv |
3KVL-DET | data/3K/3KVL-DET/3KVL-DET_ligand.pdbqt | data/3K/3KVL-DET/3KVL-DET_target.pdbqt | data/3K/3KVL-DET/3KVL-DET_decoys.pdbqt | data/3K/3KVL-DET/3KVL-DET_decoy_scores.csv |
3KX3-140 | data/3K/3KX3-140/3KX3-140_ligand.pdbqt | data/3K/3KX3-140/3KX3-140_target.pdbqt | data/3K/3KX3-140/3KX3-140_decoys.pdbqt | data/3K/3KX3-140/3KX3-140_decoy_scores.csv |
3KXO-KXO | data/3K/3KXO-KXO/3KXO-KXO_ligand.pdbqt | data/3K/3KXO-KXO/3KXO-KXO_target.pdbqt | data/3K/3KXO-KXO/3KXO-KXO_decoys.pdbqt | data/3K/3KXO-KXO/3KXO-KXO_decoy_scores.csv |
3KVM-DET | data/3K/3KVM-DET/3KVM-DET_ligand.pdbqt | data/3K/3KVM-DET/3KVM-DET_target.pdbqt | data/3K/3KVM-DET/3KVM-DET_decoys.pdbqt | data/3K/3KVM-DET/3KVM-DET_decoy_scores.csv |
3KFX-ADP | data/3K/3KFX-ADP/3KFX-ADP_ligand.pdbqt | data/3K/3KFX-ADP/3KFX-ADP_target.pdbqt | data/3K/3KFX-ADP/3KFX-ADP_decoys.pdbqt | data/3K/3KFX-ADP/3KFX-ADP_decoy_scores.csv |
3KGD-AMP | data/3K/3KGD-AMP/3KGD-AMP_ligand.pdbqt | data/3K/3KGD-AMP/3KGD-AMP_target.pdbqt | data/3K/3KGD-AMP/3KGD-AMP_decoys.pdbqt | data/3K/3KGD-AMP/3KGD-AMP_decoy_scores.csv |
3KAF-4D9 | data/3K/3KAF-4D9/3KAF-4D9_ligand.pdbqt | data/3K/3KAF-4D9/3KAF-4D9_target.pdbqt | data/3K/3KAF-4D9/3KAF-4D9_decoys.pdbqt | data/3K/3KAF-4D9/3KAF-4D9_decoy_scores.csv |
3KAK-3GC | data/3K/3KAK-3GC/3KAK-3GC_ligand.pdbqt | data/3K/3KAK-3GC/3KAK-3GC_target.pdbqt | data/3K/3KAK-3GC/3KAK-3GC_decoys.pdbqt | data/3K/3KAK-3GC/3KAK-3GC_decoy_scores.csv |
3KAL-ADP | data/3K/3KAL-ADP/3KAL-ADP_ligand.pdbqt | data/3K/3KAL-ADP/3KAL-ADP_target.pdbqt | data/3K/3KAL-ADP/3KAL-ADP_decoys.pdbqt | data/3K/3KAL-ADP/3KAL-ADP_decoy_scores.csv |
3KBN-GLO | data/3K/3KBN-GLO/3KBN-GLO_ligand.pdbqt | data/3K/3KBN-GLO/3KBN-GLO_target.pdbqt | data/3K/3KBN-GLO/3KBN-GLO_decoys.pdbqt | data/3K/3KBN-GLO/3KBN-GLO_decoy_scores.csv |
3KL3-DHI | data/3K/3KL3-DHI/3KL3-DHI_ligand.pdbqt | data/3K/3KL3-DHI/3KL3-DHI_target.pdbqt | data/3K/3KL3-DHI/3KL3-DHI_decoys.pdbqt | data/3K/3KL3-DHI/3KL3-DHI_decoy_scores.csv |
3KXG-K6X | data/3K/3KXG-K6X/3KXG-K6X_ligand.pdbqt | data/3K/3KXG-K6X/3KXG-K6X_target.pdbqt | data/3K/3KXG-K6X/3KXG-K6X_decoys.pdbqt | data/3K/3KXG-K6X/3KXG-K6X_decoy_scores.csv |
3KBM-GLC | data/3K/3KBM-GLC/3KBM-GLC_ligand.pdbqt | data/3K/3KBM-GLC/3KBM-GLC_target.pdbqt | data/3K/3KBM-GLC/3KBM-GLC_decoys.pdbqt | data/3K/3KBM-GLC/3KBM-GLC_decoy_scores.csv |
3KYB-FMN | data/3K/3KYB-FMN/3KYB-FMN_ligand.pdbqt | data/3K/3KYB-FMN/3KYB-FMN_target.pdbqt | data/3K/3KYB-FMN/3KYB-FMN_decoys.pdbqt | data/3K/3KYB-FMN/3KYB-FMN_decoy_scores.csv |
3KO0-TFP | data/3K/3KO0-TFP/3KO0-TFP_ligand.pdbqt | data/3K/3KO0-TFP/3KO0-TFP_target.pdbqt | data/3K/3KO0-TFP/3KO0-TFP_decoys.pdbqt | data/3K/3KO0-TFP/3KO0-TFP_decoy_scores.csv |
3KEC-3KE | data/3K/3KEC-3KE/3KEC-3KE_ligand.pdbqt | data/3K/3KEC-3KE/3KEC-3KE_target.pdbqt | data/3K/3KEC-3KE/3KEC-3KE_decoys.pdbqt | data/3K/3KEC-3KE/3KEC-3KE_decoy_scores.csv |
3KDB-006 | data/3K/3KDB-006/3KDB-006_ligand.pdbqt | data/3K/3KDB-006/3KDB-006_target.pdbqt | data/3K/3KDB-006/3KDB-006_decoys.pdbqt | data/3K/3KDB-006/3KDB-006_decoy_scores.csv |
3KEF-DMA | data/3K/3KEF-DMA/3KEF-DMA_ligand.pdbqt | data/3K/3KEF-DMA/3KEF-DMA_target.pdbqt | data/3K/3KEF-DMA/3KEF-DMA_decoys.pdbqt | data/3K/3KEF-DMA/3KEF-DMA_decoy_scores.csv |
3K56-IS3 | data/3K/3K56-IS3/3K56-IS3_ligand.pdbqt | data/3K/3K56-IS3/3K56-IS3_target.pdbqt | data/3K/3K56-IS3/3K56-IS3_decoys.pdbqt | data/3K/3K56-IS3/3K56-IS3_decoy_scores.csv |
3KAR-ADP | data/3K/3KAR-ADP/3KAR-ADP_ligand.pdbqt | data/3K/3KAR-ADP/3KAR-ADP_target.pdbqt | data/3K/3KAR-ADP/3KAR-ADP_decoys.pdbqt | data/3K/3KAR-ADP/3KAR-ADP_decoy_scores.csv |
3KL6-443 | data/3K/3KL6-443/3KL6-443_ligand.pdbqt | data/3K/3KL6-443/3KL6-443_target.pdbqt | data/3K/3KL6-443/3KL6-443_decoys.pdbqt | data/3K/3KL6-443/3KL6-443_decoy_scores.csv |
3KQW-ES9 | data/3K/3KQW-ES9/3KQW-ES9_ligand.pdbqt | data/3K/3KQW-ES9/3KQW-ES9_target.pdbqt | data/3K/3KQW-ES9/3KQW-ES9_decoys.pdbqt | data/3K/3KQW-ES9/3KQW-ES9_decoy_scores.csv |
3KRJ-KRJ | data/3K/3KRJ-KRJ/3KRJ-KRJ_ligand.pdbqt | data/3K/3KRJ-KRJ/3KRJ-KRJ_target.pdbqt | data/3K/3KRJ-KRJ/3KRJ-KRJ_decoys.pdbqt | data/3K/3KRJ-KRJ/3KRJ-KRJ_decoy_scores.csv |
3KKQ-GDP | data/3K/3KKQ-GDP/3KKQ-GDP_ligand.pdbqt | data/3K/3KKQ-GDP/3KKQ-GDP_target.pdbqt | data/3K/3KKQ-GDP/3KKQ-GDP_decoys.pdbqt | data/3K/3KKQ-GDP/3KKQ-GDP_decoy_scores.csv |
3K9Q-NAD | data/3K/3K9Q-NAD/3K9Q-NAD_ligand.pdbqt | data/3K/3K9Q-NAD/3K9Q-NAD_target.pdbqt | data/3K/3K9Q-NAD/3K9Q-NAD_decoys.pdbqt | data/3K/3K9Q-NAD/3K9Q-NAD_decoy_scores.csv |
3KW9-ORG | data/3K/3KW9-ORG/3KW9-ORG_ligand.pdbqt | data/3K/3KW9-ORG/3KW9-ORG_target.pdbqt | data/3K/3KW9-ORG/3KW9-ORG_decoys.pdbqt | data/3K/3KW9-ORG/3KW9-ORG_decoy_scores.csv |
3K14-535 | data/3K/3K14-535/3K14-535_ligand.pdbqt | data/3K/3K14-535/3K14-535_target.pdbqt | data/3K/3K14-535/3K14-535_decoys.pdbqt | data/3K/3K14-535/3K14-535_decoy_scores.csv |
3KVL-FMN | data/3K/3KVL-FMN/3KVL-FMN_ligand.pdbqt | data/3K/3KVL-FMN/3KVL-FMN_target.pdbqt | data/3K/3KVL-FMN/3KVL-FMN_decoys.pdbqt | data/3K/3KVL-FMN/3KVL-FMN_decoy_scores.csv |
3KB0-A8S | data/3K/3KB0-A8S/3KB0-A8S_ligand.pdbqt | data/3K/3KB0-A8S/3KB0-A8S_target.pdbqt | data/3K/3KB0-A8S/3KB0-A8S_decoys.pdbqt | data/3K/3KB0-A8S/3KB0-A8S_decoy_scores.csv |
3KOX-Z98 | data/3K/3KOX-Z98/3KOX-Z98_ligand.pdbqt | data/3K/3KOX-Z98/3KOX-Z98_target.pdbqt | data/3K/3KOX-Z98/3KOX-Z98_decoys.pdbqt | data/3K/3KOX-Z98/3KOX-Z98_decoy_scores.csv |
3KAD-4C0 | data/3K/3KAD-4C0/3KAD-4C0_ligand.pdbqt | data/3K/3KAD-4C0/3KAD-4C0_target.pdbqt | data/3K/3KAD-4C0/3KAD-4C0_decoys.pdbqt | data/3K/3KAD-4C0/3KAD-4C0_decoy_scores.csv |
3KQA-TR9 | data/3K/3KQA-TR9/3KQA-TR9_ligand.pdbqt | data/3K/3KQA-TR9/3KQA-TR9_target.pdbqt | data/3K/3KQA-TR9/3KQA-TR9_decoys.pdbqt | data/3K/3KQA-TR9/3KQA-TR9_decoy_scores.csv |
3K3J-F4C | data/3K/3K3J-F4C/3K3J-F4C_ligand.pdbqt | data/3K/3K3J-F4C/3K3J-F4C_target.pdbqt | data/3K/3K3J-F4C/3K3J-F4C_decoys.pdbqt | data/3K/3K3J-F4C/3K3J-F4C_decoy_scores.csv |
3KZH-BGC | data/3K/3KZH-BGC/3KZH-BGC_ligand.pdbqt | data/3K/3KZH-BGC/3KZH-BGC_target.pdbqt | data/3K/3KZH-BGC/3KZH-BGC_decoys.pdbqt | data/3K/3KZH-BGC/3KZH-BGC_decoy_scores.csv |
3KV3-NAD | data/3K/3KV3-NAD/3KV3-NAD_ligand.pdbqt | data/3K/3KV3-NAD/3KV3-NAD_target.pdbqt | data/3K/3KV3-NAD/3KV3-NAD_decoys.pdbqt | data/3K/3KV3-NAD/3KV3-NAD_decoy_scores.csv |
3KMY-D8Y | data/3K/3KMY-D8Y/3KMY-D8Y_ligand.pdbqt | data/3K/3KMY-D8Y/3KMY-D8Y_target.pdbqt | data/3K/3KMY-D8Y/3KMY-D8Y_decoys.pdbqt | data/3K/3KMY-D8Y/3KMY-D8Y_decoy_scores.csv |
3KLB-FMN | data/3K/3KLB-FMN/3KLB-FMN_ligand.pdbqt | data/3K/3KLB-FMN/3KLB-FMN_target.pdbqt | data/3K/3KLB-FMN/3KLB-FMN_decoys.pdbqt | data/3K/3KLB-FMN/3KLB-FMN_decoy_scores.csv |
3KPE-TM3 | data/3K/3KPE-TM3/3KPE-TM3_ligand.pdbqt | data/3K/3KPE-TM3/3KPE-TM3_target.pdbqt | data/3K/3KPE-TM3/3KPE-TM3_decoys.pdbqt | data/3K/3KPE-TM3/3KPE-TM3_decoy_scores.csv |
3KX2-ADP | data/3K/3KX2-ADP/3KX2-ADP_ligand.pdbqt | data/3K/3KX2-ADP/3KX2-ADP_target.pdbqt | data/3K/3KX2-ADP/3KX2-ADP_decoys.pdbqt | data/3K/3KX2-ADP/3KX2-ADP_decoy_scores.csv |
3KF4-B90 | data/3K/3KF4-B90/3KF4-B90_ligand.pdbqt | data/3K/3KF4-B90/3KF4-B90_target.pdbqt | data/3K/3KF4-B90/3KF4-B90_decoys.pdbqt | data/3K/3KF4-B90/3KF4-B90_decoy_scores.csv |
3KQT-SAH | data/3K/3KQT-SAH/3KQT-SAH_ligand.pdbqt | data/3K/3KQT-SAH/3KQT-SAH_target.pdbqt | data/3K/3KQT-SAH/3KQT-SAH_decoys.pdbqt | data/3K/3KQT-SAH/3KQT-SAH_decoy_scores.csv |
3KQP-ES5 | data/3K/3KQP-ES5/3KQP-ES5_ligand.pdbqt | data/3K/3KQP-ES5/3KQP-ES5_target.pdbqt | data/3K/3KQP-ES5/3KQP-ES5_decoys.pdbqt | data/3K/3KQP-ES5/3KQP-ES5_decoy_scores.csv |
3KRD-FEB | data/3K/3KRD-FEB/3KRD-FEB_ligand.pdbqt | data/3K/3KRD-FEB/3KRD-FEB_target.pdbqt | data/3K/3KRD-FEB/3KRD-FEB_decoys.pdbqt | data/3K/3KRD-FEB/3KRD-FEB_decoy_scores.csv |
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