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 ⌀ |
|---|---|---|---|---|
3K1W-HSQ | data/3K/3K1W-HSQ/3K1W-HSQ_ligand.pdbqt | data/3K/3K1W-HSQ/3K1W-HSQ_target.pdbqt | data/3K/3K1W-HSQ/3K1W-HSQ_decoys.pdbqt | data/3K/3K1W-HSQ/3K1W-HSQ_decoy_scores.csv |
3KP6-SAL | data/3K/3KP6-SAL/3KP6-SAL_ligand.pdbqt | data/3K/3KP6-SAL/3KP6-SAL_target.pdbqt | data/3K/3KP6-SAL/3KP6-SAL_decoys.pdbqt | data/3K/3KP6-SAL/3KP6-SAL_decoy_scores.csv |
3K47-D09 | data/3K/3K47-D09/3K47-D09_ligand.pdbqt | data/3K/3K47-D09/3K47-D09_target.pdbqt | data/3K/3K47-D09/3K47-D09_decoys.pdbqt | data/3K/3K47-D09/3K47-D09_decoy_scores.csv |
3KHV-4AL | data/3K/3KHV-4AL/3KHV-4AL_ligand.pdbqt | data/3K/3KHV-4AL/3KHV-4AL_target.pdbqt | data/3K/3KHV-4AL/3KHV-4AL_decoys.pdbqt | data/3K/3KHV-4AL/3KHV-4AL_decoy_scores.csv |
3KL3-GCU | data/3K/3KL3-GCU/3KL3-GCU_ligand.pdbqt | data/3K/3KL3-GCU/3KL3-GCU_target.pdbqt | data/3K/3KL3-GCU/3KL3-GCU_decoys.pdbqt | data/3K/3KL3-GCU/3KL3-GCU_decoy_scores.csv |
3K2H-UMP | data/3K/3K2H-UMP/3K2H-UMP_ligand.pdbqt | data/3K/3K2H-UMP/3K2H-UMP_target.pdbqt | data/3K/3K2H-UMP/3K2H-UMP_decoys.pdbqt | data/3K/3K2H-UMP/3K2H-UMP_decoy_scores.csv |
3KKZ-SAM | data/3K/3KKZ-SAM/3KKZ-SAM_ligand.pdbqt | data/3K/3KKZ-SAM/3KKZ-SAM_target.pdbqt | data/3K/3KKZ-SAM/3KKZ-SAM_decoys.pdbqt | data/3K/3KKZ-SAM/3KKZ-SAM_decoy_scores.csv |
3KR1-SAH | data/3K/3KR1-SAH/3KR1-SAH_ligand.pdbqt | data/3K/3KR1-SAH/3KR1-SAH_target.pdbqt | data/3K/3KR1-SAH/3KR1-SAH_decoys.pdbqt | data/3K/3KR1-SAH/3KR1-SAH_decoy_scores.csv |
3KQW-SAH | data/3K/3KQW-SAH/3KQW-SAH_ligand.pdbqt | data/3K/3KQW-SAH/3KQW-SAH_target.pdbqt | data/3K/3KQW-SAH/3KQW-SAH_decoys.pdbqt | data/3K/3KQW-SAH/3KQW-SAH_decoy_scores.csv |
3KAH-12P | data/3K/3KAH-12P/3KAH-12P_ligand.pdbqt | data/3K/3KAH-12P/3KAH-12P_target.pdbqt | data/3K/3KAH-12P/3KAH-12P_decoys.pdbqt | data/3K/3KAH-12P/3KAH-12P_decoy_scores.csv |
3KSX-MPO | data/3K/3KSX-MPO/3KSX-MPO_ligand.pdbqt | data/3K/3KSX-MPO/3KSX-MPO_target.pdbqt | data/3K/3KSX-MPO/3KSX-MPO_decoys.pdbqt | data/3K/3KSX-MPO/3KSX-MPO_decoy_scores.csv |
3KEM-IPE | data/3K/3KEM-IPE/3KEM-IPE_ligand.pdbqt | data/3K/3KEM-IPE/3KEM-IPE_target.pdbqt | data/3K/3KEM-IPE/3KEM-IPE_decoys.pdbqt | data/3K/3KEM-IPE/3KEM-IPE_decoy_scores.csv |
3KJR-NHE | data/3K/3KJR-NHE/3KJR-NHE_ligand.pdbqt | data/3K/3KJR-NHE/3KJR-NHE_target.pdbqt | data/3K/3KJR-NHE/3KJR-NHE_decoys.pdbqt | data/3K/3KJR-NHE/3KJR-NHE_decoy_scores.csv |
3KM6-EAA | data/3K/3KM6-EAA/3KM6-EAA_ligand.pdbqt | data/3K/3KM6-EAA/3KM6-EAA_target.pdbqt | data/3K/3KM6-EAA/3KM6-EAA_decoys.pdbqt | data/3K/3KM6-EAA/3KM6-EAA_decoy_scores.csv |
3KSG-SME | data/3K/3KSG-SME/3KSG-SME_ligand.pdbqt | data/3K/3KSG-SME/3KSG-SME_target.pdbqt | data/3K/3KSG-SME/3KSG-SME_decoys.pdbqt | data/3K/3KSG-SME/3KSG-SME_decoy_scores.csv |
3KM0-AOM | data/3K/3KM0-AOM/3KM0-AOM_ligand.pdbqt | data/3K/3KM0-AOM/3KM0-AOM_target.pdbqt | data/3K/3KM0-AOM/3KM0-AOM_decoys.pdbqt | data/3K/3KM0-AOM/3KM0-AOM_decoy_scores.csv |
3KGF-PHE | data/3K/3KGF-PHE/3KGF-PHE_ligand.pdbqt | data/3K/3KGF-PHE/3KGF-PHE_target.pdbqt | data/3K/3KGF-PHE/3KGF-PHE_decoys.pdbqt | data/3K/3KGF-PHE/3KGF-PHE_decoy_scores.csv |
3K3B-ADP | data/3K/3K3B-ADP/3K3B-ADP_ligand.pdbqt | data/3K/3K3B-ADP/3K3B-ADP_target.pdbqt | data/3K/3K3B-ADP/3K3B-ADP_decoys.pdbqt | data/3K/3K3B-ADP/3K3B-ADP_decoy_scores.csv |
3K9W-4PS | data/3K/3K9W-4PS/3K9W-4PS_ligand.pdbqt | data/3K/3K9W-4PS/3K9W-4PS_target.pdbqt | data/3K/3K9W-4PS/3K9W-4PS_decoys.pdbqt | data/3K/3K9W-4PS/3K9W-4PS_decoy_scores.csv |
3KFM-KAI | data/3K/3KFM-KAI/3KFM-KAI_ligand.pdbqt | data/3K/3KFM-KAI/3KFM-KAI_target.pdbqt | data/3K/3KFM-KAI/3KFM-KAI_decoys.pdbqt | data/3K/3KFM-KAI/3KFM-KAI_decoy_scores.csv |
3KRF-DST | data/3K/3KRF-DST/3KRF-DST_ligand.pdbqt | data/3K/3KRF-DST/3KRF-DST_target.pdbqt | data/3K/3KRF-DST/3KRF-DST_decoys.pdbqt | data/3K/3KRF-DST/3KRF-DST_decoy_scores.csv |
3KUM-TYR | data/3K/3KUM-TYR/3KUM-TYR_ligand.pdbqt | data/3K/3KUM-TYR/3KUM-TYR_target.pdbqt | data/3K/3KUM-TYR/3KUM-TYR_decoys.pdbqt | data/3K/3KUM-TYR/3KUM-TYR_decoy_scores.csv |
3K5I-AIR | data/3K/3K5I-AIR/3K5I-AIR_ligand.pdbqt | data/3K/3K5I-AIR/3K5I-AIR_target.pdbqt | data/3K/3K5I-AIR/3K5I-AIR_decoys.pdbqt | data/3K/3K5I-AIR/3K5I-AIR_decoy_scores.csv |
3KB6-NAD | data/3K/3KB6-NAD/3KB6-NAD_ligand.pdbqt | data/3K/3KB6-NAD/3KB6-NAD_target.pdbqt | data/3K/3KB6-NAD/3KB6-NAD_decoys.pdbqt | data/3K/3KB6-NAD/3KB6-NAD_decoy_scores.csv |
3KKN-GNP | data/3K/3KKN-GNP/3KKN-GNP_ligand.pdbqt | data/3K/3KKN-GNP/3KKN-GNP_target.pdbqt | data/3K/3KKN-GNP/3KKN-GNP_decoys.pdbqt | data/3K/3KKN-GNP/3KKN-GNP_decoy_scores.csv |
3KZN-AOR | data/3K/3KZN-AOR/3KZN-AOR_ligand.pdbqt | data/3K/3KZN-AOR/3KZN-AOR_target.pdbqt | data/3K/3KZN-AOR/3KZN-AOR_decoys.pdbqt | data/3K/3KZN-AOR/3KZN-AOR_decoy_scores.csv |
3KPJ-SAH | data/3K/3KPJ-SAH/3KPJ-SAH_ligand.pdbqt | data/3K/3KPJ-SAH/3KPJ-SAH_target.pdbqt | data/3K/3KPJ-SAH/3KPJ-SAH_decoys.pdbqt | data/3K/3KPJ-SAH/3KPJ-SAH_decoy_scores.csv |
3KMG-538 | data/3K/3KMG-538/3KMG-538_ligand.pdbqt | data/3K/3KMG-538/3KMG-538_target.pdbqt | data/3K/3KMG-538/3KMG-538_decoys.pdbqt | data/3K/3KMG-538/3KMG-538_decoy_scores.csv |
3KI6-G9L | data/3K/3KI6-G9L/3KI6-G9L_ligand.pdbqt | data/3K/3KI6-G9L/3KI6-G9L_target.pdbqt | data/3K/3KI6-G9L/3KI6-G9L_decoys.pdbqt | data/3K/3KI6-G9L/3KI6-G9L_decoy_scores.csv |
3K9N-GNP | data/3K/3K9N-GNP/3K9N-GNP_ligand.pdbqt | data/3K/3K9N-GNP/3K9N-GNP_target.pdbqt | data/3K/3K9N-GNP/3K9N-GNP_decoys.pdbqt | data/3K/3K9N-GNP/3K9N-GNP_decoy_scores.csv |
3KXH-K66 | data/3K/3KXH-K66/3KXH-K66_ligand.pdbqt | data/3K/3KXH-K66/3KXH-K66_target.pdbqt | data/3K/3KXH-K66/3KXH-K66_decoys.pdbqt | data/3K/3KXH-K66/3KXH-K66_decoy_scores.csv |
3K1X-DBX | data/3K/3K1X-DBX/3K1X-DBX_ligand.pdbqt | data/3K/3K1X-DBX/3K1X-DBX_target.pdbqt | data/3K/3K1X-DBX/3K1X-DBX_decoys.pdbqt | data/3K/3K1X-DBX/3K1X-DBX_decoy_scores.csv |
3KXW-1ZZ | data/3K/3KXW-1ZZ/3KXW-1ZZ_ligand.pdbqt | data/3K/3KXW-1ZZ/3KXW-1ZZ_target.pdbqt | data/3K/3KXW-1ZZ/3KXW-1ZZ_decoys.pdbqt | data/3K/3KXW-1ZZ/3KXW-1ZZ_decoy_scores.csv |
3K83-1DO | data/3K/3K83-1DO/3K83-1DO_ligand.pdbqt | data/3K/3K83-1DO/3K83-1DO_target.pdbqt | data/3K/3K83-1DO/3K83-1DO_decoys.pdbqt | data/3K/3K83-1DO/3K83-1DO_decoy_scores.csv |
3KKT-B3P | data/3K/3KKT-B3P/3KKT-B3P_ligand.pdbqt | data/3K/3KKT-B3P/3KKT-B3P_target.pdbqt | data/3K/3KKT-B3P/3KKT-B3P_decoys.pdbqt | data/3K/3KKT-B3P/3KKT-B3P_decoy_scores.csv |
3KVG-ANP | data/3K/3KVG-ANP/3KVG-ANP_ligand.pdbqt | data/3K/3KVG-ANP/3KVG-ANP_target.pdbqt | data/3K/3KVG-ANP/3KVG-ANP_decoys.pdbqt | data/3K/3KVG-ANP/3KVG-ANP_decoy_scores.csv |
3K0Z-NHE | data/3K/3K0Z-NHE/3K0Z-NHE_ligand.pdbqt | data/3K/3K0Z-NHE/3K0Z-NHE_target.pdbqt | data/3K/3K0Z-NHE/3K0Z-NHE_decoys.pdbqt | data/3K/3K0Z-NHE/3K0Z-NHE_decoy_scores.csv |
3KO5-ADP | data/3K/3KO5-ADP/3KO5-ADP_ligand.pdbqt | data/3K/3KO5-ADP/3KO5-ADP_target.pdbqt | data/3K/3KO5-ADP/3KO5-ADP_decoys.pdbqt | data/3K/3KO5-ADP/3KO5-ADP_decoy_scores.csv |
3K5X-P8D | data/3K/3K5X-P8D/3K5X-P8D_ligand.pdbqt | data/3K/3K5X-P8D/3K5X-P8D_target.pdbqt | data/3K/3K5X-P8D/3K5X-P8D_decoys.pdbqt | data/3K/3K5X-P8D/3K5X-P8D_decoy_scores.csv |
3KE9-IPE | data/3K/3KE9-IPE/3KE9-IPE_ligand.pdbqt | data/3K/3KE9-IPE/3KE9-IPE_target.pdbqt | data/3K/3KE9-IPE/3KE9-IPE_decoys.pdbqt | data/3K/3KE9-IPE/3KE9-IPE_decoy_scores.csv |
3K6L-2BB | data/3K/3K6L-2BB/3K6L-2BB_ligand.pdbqt | data/3K/3K6L-2BB/3K6L-2BB_target.pdbqt | data/3K/3K6L-2BB/3K6L-2BB_decoys.pdbqt | data/3K/3K6L-2BB/3K6L-2BB_decoy_scores.csv |
3K73-NAD | data/3K/3K73-NAD/3K73-NAD_ligand.pdbqt | data/3K/3K73-NAD/3K73-NAD_target.pdbqt | data/3K/3K73-NAD/3K73-NAD_decoys.pdbqt | data/3K/3K73-NAD/3K73-NAD_decoy_scores.csv |
3KMR-EQN | data/3K/3KMR-EQN/3KMR-EQN_ligand.pdbqt | data/3K/3KMR-EQN/3KMR-EQN_target.pdbqt | data/3K/3KMR-EQN/3KMR-EQN_decoys.pdbqt | data/3K/3KMR-EQN/3KMR-EQN_decoy_scores.csv |
3KFT-NAD | data/3K/3KFT-NAD/3KFT-NAD_ligand.pdbqt | data/3K/3KFT-NAD/3KFT-NAD_target.pdbqt | data/3K/3KFT-NAD/3KFT-NAD_decoys.pdbqt | data/3K/3KFT-NAD/3KFT-NAD_decoy_scores.csv |
3KEQ-NAD | data/3K/3KEQ-NAD/3KEQ-NAD_ligand.pdbqt | data/3K/3KEQ-NAD/3KEQ-NAD_target.pdbqt | data/3K/3KEQ-NAD/3KEQ-NAD_decoys.pdbqt | data/3K/3KEQ-NAD/3KEQ-NAD_decoy_scores.csv |
3KF7-L9G | data/3K/3KF7-L9G/3KF7-L9G_ligand.pdbqt | data/3K/3KF7-L9G/3KF7-L9G_target.pdbqt | data/3K/3KF7-L9G/3KF7-L9G_decoys.pdbqt | data/3K/3KF7-L9G/3KF7-L9G_decoy_scores.csv |
3KZZ-OBG | data/3K/3KZZ-OBG/3KZZ-OBG_ligand.pdbqt | data/3K/3KZZ-OBG/3KZZ-OBG_target.pdbqt | data/3K/3KZZ-OBG/3KZZ-OBG_decoys.pdbqt | data/3K/3KZZ-OBG/3KZZ-OBG_decoy_scores.csv |
3K54-1N1 | data/3K/3K54-1N1/3K54-1N1_ligand.pdbqt | data/3K/3K54-1N1/3K54-1N1_target.pdbqt | data/3K/3K54-1N1/3K54-1N1_decoys.pdbqt | data/3K/3K54-1N1/3K54-1N1_decoy_scores.csv |
3KGC-GLU | data/3K/3KGC-GLU/3KGC-GLU_ligand.pdbqt | data/3K/3KGC-GLU/3KGC-GLU_target.pdbqt | data/3K/3KGC-GLU/3KGC-GLU_decoys.pdbqt | data/3K/3KGC-GLU/3KGC-GLU_decoy_scores.csv |
3KLP-B81 | data/3K/3KLP-B81/3KLP-B81_ligand.pdbqt | data/3K/3KLP-B81/3KLP-B81_target.pdbqt | data/3K/3KLP-B81/3KLP-B81_decoys.pdbqt | data/3K/3KLP-B81/3KLP-B81_decoy_scores.csv |
3K98-1RC | data/3K/3K98-1RC/3K98-1RC_ligand.pdbqt | data/3K/3K98-1RC/3K98-1RC_target.pdbqt | data/3K/3K98-1RC/3K98-1RC_decoys.pdbqt | data/3K/3K98-1RC/3K98-1RC_decoy_scores.csv |
3KXC-PLM | data/3K/3KXC-PLM/3KXC-PLM_ligand.pdbqt | data/3K/3KXC-PLM/3KXC-PLM_target.pdbqt | data/3K/3KXC-PLM/3KXC-PLM_decoys.pdbqt | data/3K/3KXC-PLM/3KXC-PLM_decoy_scores.csv |
3KPC-MTA | data/3K/3KPC-MTA/3KPC-MTA_ligand.pdbqt | data/3K/3KPC-MTA/3KPC-MTA_target.pdbqt | data/3K/3KPC-MTA/3KPC-MTA_decoys.pdbqt | data/3K/3KPC-MTA/3KPC-MTA_decoy_scores.csv |
3KQS-AX7 | data/3K/3KQS-AX7/3KQS-AX7_ligand.pdbqt | data/3K/3KQS-AX7/3KQS-AX7_target.pdbqt | data/3K/3KQS-AX7/3KQS-AX7_decoys.pdbqt | data/3K/3KQS-AX7/3KQS-AX7_decoy_scores.csv |
3KM8-9DI | data/3K/3KM8-9DI/3KM8-9DI_ligand.pdbqt | data/3K/3KM8-9DI/3KM8-9DI_target.pdbqt | data/3K/3KM8-9DI/3KM8-9DI_decoys.pdbqt | data/3K/3KM8-9DI/3KM8-9DI_decoy_scores.csv |
3K5H-ATP | data/3K/3K5H-ATP/3K5H-ATP_ligand.pdbqt | data/3K/3K5H-ATP/3K5H-ATP_target.pdbqt | data/3K/3K5H-ATP/3K5H-ATP_decoys.pdbqt | data/3K/3K5H-ATP/3K5H-ATP_decoy_scores.csv |
3KEG-MRE | data/3K/3KEG-MRE/3KEG-MRE_ligand.pdbqt | data/3K/3KEG-MRE/3KEG-MRE_target.pdbqt | data/3K/3KEG-MRE/3KEG-MRE_decoys.pdbqt | data/3K/3KEG-MRE/3KEG-MRE_decoy_scores.csv |
3KFC-61X | data/3K/3KFC-61X/3KFC-61X_ligand.pdbqt | data/3K/3KFC-61X/3KFC-61X_target.pdbqt | data/3K/3KFC-61X/3KFC-61X_decoys.pdbqt | data/3K/3KFC-61X/3KFC-61X_decoy_scores.csv |
3KPC-SAM | data/3K/3KPC-SAM/3KPC-SAM_ligand.pdbqt | data/3K/3KPC-SAM/3KPC-SAM_target.pdbqt | data/3K/3KPC-SAM/3KPC-SAM_decoys.pdbqt | data/3K/3KPC-SAM/3KPC-SAM_decoy_scores.csv |
3KOQ-FMN | data/3K/3KOQ-FMN/3KOQ-FMN_ligand.pdbqt | data/3K/3KOQ-FMN/3KOQ-FMN_target.pdbqt | data/3K/3KOQ-FMN/3KOQ-FMN_decoys.pdbqt | data/3K/3KOQ-FMN/3KOQ-FMN_decoy_scores.csv |
3KLM-DHT | data/3K/3KLM-DHT/3KLM-DHT_ligand.pdbqt | data/3K/3KLM-DHT/3KLM-DHT_target.pdbqt | data/3K/3KLM-DHT/3KLM-DHT_decoys.pdbqt | data/3K/3KLM-DHT/3KLM-DHT_decoy_scores.csv |
3K7Q-GP7 | data/3K/3K7Q-GP7/3K7Q-GP7_ligand.pdbqt | data/3K/3K7Q-GP7/3K7Q-GP7_target.pdbqt | data/3K/3K7Q-GP7/3K7Q-GP7_decoys.pdbqt | data/3K/3K7Q-GP7/3K7Q-GP7_decoy_scores.csv |
3K3B-L31 | data/3K/3K3B-L31/3K3B-L31_ligand.pdbqt | data/3K/3K3B-L31/3K3B-L31_target.pdbqt | data/3K/3K3B-L31/3K3B-L31_decoys.pdbqt | data/3K/3K3B-L31/3K3B-L31_decoy_scores.csv |
3KWZ-KWZ | data/3K/3KWZ-KWZ/3KWZ-KWZ_ligand.pdbqt | data/3K/3KWZ-KWZ/3KWZ-KWZ_target.pdbqt | data/3K/3KWZ-KWZ/3KWZ-KWZ_decoys.pdbqt | data/3K/3KWZ-KWZ/3KWZ-KWZ_decoy_scores.csv |
3KYT-HC2 | data/3K/3KYT-HC2/3KYT-HC2_ligand.pdbqt | data/3K/3KYT-HC2/3KYT-HC2_target.pdbqt | data/3K/3KYT-HC2/3KYT-HC2_decoys.pdbqt | data/3K/3KYT-HC2/3KYT-HC2_decoy_scores.csv |
3KMW-ATP | data/3K/3KMW-ATP/3KMW-ATP_ligand.pdbqt | data/3K/3KMW-ATP/3KMW-ATP_target.pdbqt | data/3K/3KMW-ATP/3KMW-ATP_decoys.pdbqt | data/3K/3KMW-ATP/3KMW-ATP_decoy_scores.csv |
3K9L-GNP | data/3K/3K9L-GNP/3K9L-GNP_ligand.pdbqt | data/3K/3K9L-GNP/3K9L-GNP_target.pdbqt | data/3K/3K9L-GNP/3K9L-GNP_decoys.pdbqt | data/3K/3K9L-GNP/3K9L-GNP_decoy_scores.csv |
3KDZ-TYR | data/3K/3KDZ-TYR/3KDZ-TYR_ligand.pdbqt | data/3K/3KDZ-TYR/3KDZ-TYR_target.pdbqt | data/3K/3KDZ-TYR/3KDZ-TYR_decoys.pdbqt | data/3K/3KDZ-TYR/3KDZ-TYR_decoy_scores.csv |
3KI4-G9P | data/3K/3KI4-G9P/3KI4-G9P_ligand.pdbqt | data/3K/3KI4-G9P/3KI4-G9P_target.pdbqt | data/3K/3KI4-G9P/3KI4-G9P_decoys.pdbqt | data/3K/3KI4-G9P/3KI4-G9P_decoy_scores.csv |
3KI1-G9F | data/3K/3KI1-G9F/3KI1-G9F_ligand.pdbqt | data/3K/3KI1-G9F/3KI1-G9F_target.pdbqt | data/3K/3KI1-G9F/3KI1-G9F_decoys.pdbqt | data/3K/3KI1-G9F/3KI1-G9F_decoy_scores.csv |
3KRL-KRL | data/3K/3KRL-KRL/3KRL-KRL_ligand.pdbqt | data/3K/3KRL-KRL/3KRL-KRL_target.pdbqt | data/3K/3KRL-KRL/3KRL-KRL_decoys.pdbqt | data/3K/3KRL-KRL/3KRL-KRL_decoy_scores.csv |
3KFS-2FX | data/3K/3KFS-2FX/3KFS-2FX_ligand.pdbqt | data/3K/3KFS-2FX/3KFS-2FX_target.pdbqt | data/3K/3KFS-2FX/3KFS-2FX_decoys.pdbqt | data/3K/3KFS-2FX/3KFS-2FX_decoy_scores.csv |
3K5F-AYH | data/3K/3K5F-AYH/3K5F-AYH_ligand.pdbqt | data/3K/3K5F-AYH/3K5F-AYH_target.pdbqt | data/3K/3K5F-AYH/3K5F-AYH_decoys.pdbqt | data/3K/3K5F-AYH/3K5F-AYH_decoy_scores.csv |
3KRC-IPE | data/3K/3KRC-IPE/3KRC-IPE_ligand.pdbqt | data/3K/3KRC-IPE/3KRC-IPE_target.pdbqt | data/3K/3KRC-IPE/3KRC-IPE_decoys.pdbqt | data/3K/3KRC-IPE/3KRC-IPE_decoy_scores.csv |
3K8Q-22A | data/3K/3K8Q-22A/3K8Q-22A_ligand.pdbqt | data/3K/3K8Q-22A/3K8Q-22A_target.pdbqt | data/3K/3K8Q-22A/3K8Q-22A_decoys.pdbqt | data/3K/3K8Q-22A/3K8Q-22A_decoy_scores.csv |
3KH5-ADP | data/3K/3KH5-ADP/3KH5-ADP_ligand.pdbqt | data/3K/3KH5-ADP/3KH5-ADP_target.pdbqt | data/3K/3KH5-ADP/3KH5-ADP_decoys.pdbqt | data/3K/3KH5-ADP/3KH5-ADP_decoy_scores.csv |
3KYG-5GP | data/3K/3KYG-5GP/3KYG-5GP_ligand.pdbqt | data/3K/3KYG-5GP/3KYG-5GP_target.pdbqt | data/3K/3KYG-5GP/3KYG-5GP_decoys.pdbqt | data/3K/3KYG-5GP/3KYG-5GP_decoy_scores.csv |
3KVL-7Z5 | data/3K/3KVL-7Z5/3KVL-7Z5_ligand.pdbqt | data/3K/3KVL-7Z5/3KVL-7Z5_target.pdbqt | data/3K/3KVL-7Z5/3KVL-7Z5_decoys.pdbqt | data/3K/3KVL-7Z5/3KVL-7Z5_decoy_scores.csv |
3KPY-SAH | data/3K/3KPY-SAH/3KPY-SAH_ligand.pdbqt | data/3K/3KPY-SAH/3KPY-SAH_target.pdbqt | data/3K/3KPY-SAH/3KPY-SAH_decoys.pdbqt | data/3K/3KPY-SAH/3KPY-SAH_decoy_scores.csv |
3KWK-FMN | data/3K/3KWK-FMN/3KWK-FMN_ligand.pdbqt | data/3K/3KWK-FMN/3KWK-FMN_target.pdbqt | data/3K/3KWK-FMN/3KWK-FMN_decoys.pdbqt | data/3K/3KWK-FMN/3KWK-FMN_decoy_scores.csv |
3K84-K84 | data/3K/3K84-K84/3K84-K84_ligand.pdbqt | data/3K/3K84-K84/3K84-K84_target.pdbqt | data/3K/3K84-K84/3K84-K84_decoys.pdbqt | data/3K/3K84-K84/3K84-K84_decoy_scores.csv |
3KKO-GNP | data/3K/3KKO-GNP/3KKO-GNP_ligand.pdbqt | data/3K/3KKO-GNP/3KKO-GNP_target.pdbqt | data/3K/3KKO-GNP/3KKO-GNP_decoys.pdbqt | data/3K/3KKO-GNP/3KKO-GNP_decoy_scores.csv |
3KVJ-1X5 | data/3K/3KVJ-1X5/3KVJ-1X5_ligand.pdbqt | data/3K/3KVJ-1X5/3KVJ-1X5_target.pdbqt | data/3K/3KVJ-1X5/3KVJ-1X5_decoys.pdbqt | data/3K/3KVJ-1X5/3KVJ-1X5_decoy_scores.csv |
3KF3-FRU | data/3K/3KF3-FRU/3KF3-FRU_ligand.pdbqt | data/3K/3KF3-FRU/3KF3-FRU_target.pdbqt | data/3K/3KF3-FRU/3KF3-FRU_decoys.pdbqt | data/3K/3KF3-FRU/3KF3-FRU_decoy_scores.csv |
3K88-NAD | data/3K/3K88-NAD/3K88-NAD_ligand.pdbqt | data/3K/3K88-NAD/3K88-NAD_target.pdbqt | data/3K/3K88-NAD/3K88-NAD_decoys.pdbqt | data/3K/3K88-NAD/3K88-NAD_decoy_scores.csv |
3K9X-MBM | data/3K/3K9X-MBM/3K9X-MBM_ligand.pdbqt | data/3K/3K9X-MBM/3K9X-MBM_target.pdbqt | data/3K/3K9X-MBM/3K9X-MBM_decoys.pdbqt | data/3K/3K9X-MBM/3K9X-MBM_decoy_scores.csv |
3KR8-XAV | data/3K/3KR8-XAV/3KR8-XAV_ligand.pdbqt | data/3K/3KR8-XAV/3KR8-XAV_target.pdbqt | data/3K/3KR8-XAV/3KR8-XAV_decoys.pdbqt | data/3K/3KR8-XAV/3KR8-XAV_decoy_scores.csv |
3KKP-GNP | data/3K/3KKP-GNP/3KKP-GNP_ligand.pdbqt | data/3K/3KKP-GNP/3KKP-GNP_target.pdbqt | data/3K/3KKP-GNP/3KKP-GNP_decoys.pdbqt | data/3K/3KKP-GNP/3KKP-GNP_decoy_scores.csv |
3KWB-ORH | data/3K/3KWB-ORH/3KWB-ORH_ligand.pdbqt | data/3K/3KWB-ORH/3KWB-ORH_target.pdbqt | data/3K/3KWB-ORH/3KWB-ORH_decoys.pdbqt | data/3K/3KWB-ORH/3KWB-ORH_decoy_scores.csv |
3K2R-V1A | data/3K/3K2R-V1A/3K2R-V1A_ligand.pdbqt | data/3K/3K2R-V1A/3K2R-V1A_target.pdbqt | data/3K/3K2R-V1A/3K2R-V1A_decoys.pdbqt | data/3K/3K2R-V1A/3K2R-V1A_decoy_scores.csv |
3KDD-JZQ | data/3K/3KDD-JZQ/3KDD-JZQ_ligand.pdbqt | data/3K/3KDD-JZQ/3KDD-JZQ_target.pdbqt | data/3K/3KDD-JZQ/3KDD-JZQ_decoys.pdbqt | data/3K/3KDD-JZQ/3KDD-JZQ_decoy_scores.csv |
3K2C-PG5 | data/3K/3K2C-PG5/3K2C-PG5_ligand.pdbqt | data/3K/3K2C-PG5/3K2C-PG5_target.pdbqt | data/3K/3K2C-PG5/3K2C-PG5_decoys.pdbqt | data/3K/3K2C-PG5/3K2C-PG5_decoy_scores.csv |
3K8D-KDO | data/3K/3K8D-KDO/3K8D-KDO_ligand.pdbqt | data/3K/3K8D-KDO/3K8D-KDO_target.pdbqt | data/3K/3K8D-KDO/3K8D-KDO_decoys.pdbqt | data/3K/3K8D-KDO/3K8D-KDO_decoy_scores.csv |
3KQM-SAH | data/3K/3KQM-SAH/3KQM-SAH_ligand.pdbqt | data/3K/3KQM-SAH/3KQM-SAH_target.pdbqt | data/3K/3KQM-SAH/3KQM-SAH_decoys.pdbqt | data/3K/3KQM-SAH/3KQM-SAH_decoy_scores.csv |
3K0T-BGC | data/3K/3K0T-BGC/3K0T-BGC_ligand.pdbqt | data/3K/3K0T-BGC/3K0T-BGC_target.pdbqt | data/3K/3K0T-BGC/3K0T-BGC_decoys.pdbqt | data/3K/3K0T-BGC/3K0T-BGC_decoy_scores.csv |
3KCZ-3AB | data/3K/3KCZ-3AB/3KCZ-3AB_ligand.pdbqt | data/3K/3KCZ-3AB/3KCZ-3AB_target.pdbqt | data/3K/3KCZ-3AB/3KCZ-3AB_decoys.pdbqt | data/3K/3KCZ-3AB/3KCZ-3AB_decoy_scores.csv |
3KT0-EMN | data/3K/3KT0-EMN/3KT0-EMN_ligand.pdbqt | data/3K/3KT0-EMN/3KT0-EMN_target.pdbqt | data/3K/3KT0-EMN/3KT0-EMN_decoys.pdbqt | data/3K/3KT0-EMN/3KT0-EMN_decoy_scores.csv |
3KZO-AN0 | data/3K/3KZO-AN0/3KZO-AN0_ligand.pdbqt | data/3K/3KZO-AN0/3KZO-AN0_target.pdbqt | data/3K/3KZO-AN0/3KZO-AN0_decoys.pdbqt | data/3K/3KZO-AN0/3KZO-AN0_decoy_scores.csv |
3KPY-ES2 | data/3K/3KPY-ES2/3KPY-ES2_ligand.pdbqt | data/3K/3KPY-ES2/3KPY-ES2_target.pdbqt | data/3K/3KPY-ES2/3KPY-ES2_decoys.pdbqt | data/3K/3KPY-ES2/3KPY-ES2_decoy_scores.csv |
3KPZ-ZNE | data/3K/3KPZ-ZNE/3KPZ-ZNE_ligand.pdbqt | data/3K/3KPZ-ZNE/3KPZ-ZNE_target.pdbqt | data/3K/3KPZ-ZNE/3KPZ-ZNE_decoys.pdbqt | data/3K/3KPZ-ZNE/3KPZ-ZNE_decoy_scores.csv |
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