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 ⌀ |
|---|---|---|---|---|
3KQE-LGM | data/3K/3KQE-LGM/3KQE-LGM_ligand.pdbqt | data/3K/3KQE-LGM/3KQE-LGM_target.pdbqt | data/3K/3KQE-LGM/3KQE-LGM_decoys.pdbqt | data/3K/3KQE-LGM/3KQE-LGM_decoy_scores.csv |
3KME-INN | data/3K/3KME-INN/3KME-INN_ligand.pdbqt | data/3K/3KME-INN/3KME-INN_target.pdbqt | data/3K/3KME-INN/3KME-INN_decoys.pdbqt | data/3K/3KME-INN/3KME-INN_decoy_scores.csv |
3KEK-3EK | data/3K/3KEK-3EK/3KEK-3EK_ligand.pdbqt | data/3K/3KEK-3EK/3KEK-3EK_target.pdbqt | data/3K/3KEK-3EK/3KEK-3EK_decoys.pdbqt | data/3K/3KEK-3EK/3KEK-3EK_decoy_scores.csv |
3KAB-12P | data/3K/3KAB-12P/3KAB-12P_ligand.pdbqt | data/3K/3KAB-12P/3KAB-12P_target.pdbqt | data/3K/3KAB-12P/3KAB-12P_decoys.pdbqt | data/3K/3KAB-12P/3KAB-12P_decoy_scores.csv |
3KKF-P6G | data/3K/3KKF-P6G/3KKF-P6G_ligand.pdbqt | data/3K/3KKF-P6G/3KKF-P6G_target.pdbqt | data/3K/3KKF-P6G/3KKF-P6G_decoys.pdbqt | data/3K/3KKF-P6G/3KKF-P6G_decoy_scores.csv |
3K4Q-IHS | data/3K/3K4Q-IHS/3K4Q-IHS_ligand.pdbqt | data/3K/3K4Q-IHS/3K4Q-IHS_target.pdbqt | data/3K/3K4Q-IHS/3K4Q-IHS_decoys.pdbqt | data/3K/3K4Q-IHS/3K4Q-IHS_decoy_scores.csv |
3KSM-BDR | data/3K/3KSM-BDR/3KSM-BDR_ligand.pdbqt | data/3K/3KSM-BDR/3KSM-BDR_target.pdbqt | data/3K/3KSM-BDR/3KSM-BDR_decoys.pdbqt | data/3K/3KSM-BDR/3KSM-BDR_decoy_scores.csv |
3K6P-5FB | data/3K/3K6P-5FB/3K6P-5FB_ligand.pdbqt | data/3K/3K6P-5FB/3K6P-5FB_target.pdbqt | data/3K/3K6P-5FB/3K6P-5FB_decoys.pdbqt | data/3K/3K6P-5FB/3K6P-5FB_decoy_scores.csv |
3K90-A8S | data/3K/3K90-A8S/3K90-A8S_ligand.pdbqt | data/3K/3K90-A8S/3K90-A8S_target.pdbqt | data/3K/3K90-A8S/3K90-A8S_decoys.pdbqt | data/3K/3K90-A8S/3K90-A8S_decoy_scores.csv |
3KR2-SAH | data/3K/3KR2-SAH/3KR2-SAH_ligand.pdbqt | data/3K/3KR2-SAH/3KR2-SAH_target.pdbqt | data/3K/3KR2-SAH/3KR2-SAH_decoys.pdbqt | data/3K/3KR2-SAH/3KR2-SAH_decoy_scores.csv |
3KQY-SAH | data/3K/3KQY-SAH/3KQY-SAH_ligand.pdbqt | data/3K/3KQY-SAH/3KQY-SAH_target.pdbqt | data/3K/3KQY-SAH/3KQY-SAH_decoys.pdbqt | data/3K/3KQY-SAH/3KQY-SAH_decoy_scores.csv |
3K5K-SAH | data/3K/3K5K-SAH/3K5K-SAH_ligand.pdbqt | data/3K/3K5K-SAH/3K5K-SAH_target.pdbqt | data/3K/3K5K-SAH/3K5K-SAH_decoys.pdbqt | data/3K/3K5K-SAH/3K5K-SAH_decoy_scores.csv |
3KPW-SAH | data/3K/3KPW-SAH/3KPW-SAH_ligand.pdbqt | data/3K/3KPW-SAH/3KPW-SAH_target.pdbqt | data/3K/3KPW-SAH/3KPW-SAH_decoys.pdbqt | data/3K/3KPW-SAH/3KPW-SAH_decoy_scores.csv |
3KSQ-Z96 | data/3K/3KSQ-Z96/3KSQ-Z96_ligand.pdbqt | data/3K/3KSQ-Z96/3KSQ-Z96_target.pdbqt | data/3K/3KSQ-Z96/3KSQ-Z96_decoys.pdbqt | data/3K/3KSQ-Z96/3KSQ-Z96_decoy_scores.csv |
3KAL-HGS | data/3K/3KAL-HGS/3KAL-HGS_ligand.pdbqt | data/3K/3KAL-HGS/3KAL-HGS_target.pdbqt | data/3K/3KAL-HGS/3KAL-HGS_decoys.pdbqt | data/3K/3KAL-HGS/3KAL-HGS_decoy_scores.csv |
3KXM-K74 | data/3K/3KXM-K74/3KXM-K74_ligand.pdbqt | data/3K/3KXM-K74/3KXM-K74_target.pdbqt | data/3K/3KXM-K74/3KXM-K74_decoys.pdbqt | data/3K/3KXM-K74/3KXM-K74_decoy_scores.csv |
3KRF-IPE | data/3K/3KRF-IPE/3KRF-IPE_ligand.pdbqt | data/3K/3KRF-IPE/3KRF-IPE_target.pdbqt | data/3K/3KRF-IPE/3KRF-IPE_decoys.pdbqt | data/3K/3KRF-IPE/3KRF-IPE_decoy_scores.csv |
3KE8-EIP | data/3K/3KE8-EIP/3KE8-EIP_ligand.pdbqt | data/3K/3KE8-EIP/3KE8-EIP_target.pdbqt | data/3K/3KE8-EIP/3KE8-EIP_decoys.pdbqt | data/3K/3KE8-EIP/3KE8-EIP_decoy_scores.csv |
3KEJ-3EJ | data/3K/3KEJ-3EJ/3KEJ-3EJ_ligand.pdbqt | data/3K/3KEJ-3EJ/3KEJ-3EJ_target.pdbqt | data/3K/3KEJ-3EJ/3KEJ-3EJ_decoys.pdbqt | data/3K/3KEJ-3EJ/3KEJ-3EJ_decoy_scores.csv |
3KEG-FMN | data/3K/3KEG-FMN/3KEG-FMN_ligand.pdbqt | data/3K/3KEG-FMN/3KEG-FMN_target.pdbqt | data/3K/3KEG-FMN/3KEG-FMN_decoys.pdbqt | data/3K/3KEG-FMN/3KEG-FMN_decoy_scores.csv |
3KVM-DOR | data/3K/3KVM-DOR/3KVM-DOR_ligand.pdbqt | data/3K/3KVM-DOR/3KVM-DOR_target.pdbqt | data/3K/3KVM-DOR/3KVM-DOR_decoys.pdbqt | data/3K/3KVM-DOR/3KVM-DOR_decoy_scores.csv |
3KVW-IRB | data/3K/3KVW-IRB/3KVW-IRB_ligand.pdbqt | data/3K/3KVW-IRB/3KVW-IRB_target.pdbqt | data/3K/3KVW-IRB/3KVW-IRB_decoys.pdbqt | data/3K/3KVW-IRB/3KVW-IRB_decoy_scores.csv |
3KSQ-FPP | data/3K/3KSQ-FPP/3KSQ-FPP_ligand.pdbqt | data/3K/3KSQ-FPP/3KSQ-FPP_target.pdbqt | data/3K/3KSQ-FPP/3KSQ-FPP_decoys.pdbqt | data/3K/3KSQ-FPP/3KSQ-FPP_decoy_scores.csv |
3K45-51P | data/3K/3K45-51P/3K45-51P_ligand.pdbqt | data/3K/3K45-51P/3K45-51P_target.pdbqt | data/3K/3K45-51P/3K45-51P_decoys.pdbqt | data/3K/3K45-51P/3K45-51P_decoy_scores.csv |
3KTI-NHE | data/3K/3KTI-NHE/3KTI-NHE_ligand.pdbqt | data/3K/3KTI-NHE/3KTI-NHE_target.pdbqt | data/3K/3KTI-NHE/3KTI-NHE_decoys.pdbqt | data/3K/3KTI-NHE/3KTI-NHE_decoy_scores.csv |
3KKV-B99 | data/3K/3KKV-B99/3KKV-B99_ligand.pdbqt | data/3K/3KKV-B99/3KKV-B99_target.pdbqt | data/3K/3KKV-B99/3KKV-B99_decoys.pdbqt | data/3K/3KKV-B99/3KKV-B99_decoy_scores.csv |
3KPU-SAH | data/3K/3KPU-SAH/3KPU-SAH_ligand.pdbqt | data/3K/3KPU-SAH/3KPU-SAH_target.pdbqt | data/3K/3KPU-SAH/3KPU-SAH_decoys.pdbqt | data/3K/3KPU-SAH/3KPU-SAH_decoy_scores.csv |
3KCC-CMP | data/3K/3KCC-CMP/3KCC-CMP_ligand.pdbqt | data/3K/3KCC-CMP/3KCC-CMP_target.pdbqt | data/3K/3KCC-CMP/3KCC-CMP_decoys.pdbqt | data/3K/3KCC-CMP/3KCC-CMP_decoy_scores.csv |
3KO8-NAD | data/3K/3KO8-NAD/3KO8-NAD_ligand.pdbqt | data/3K/3KO8-NAD/3KO8-NAD_target.pdbqt | data/3K/3KO8-NAD/3KO8-NAD_decoys.pdbqt | data/3K/3KO8-NAD/3KO8-NAD_decoy_scores.csv |
3KKU-B95 | data/3K/3KKU-B95/3KKU-B95_ligand.pdbqt | data/3K/3KKU-B95/3KKU-B95_target.pdbqt | data/3K/3KKU-B95/3KKU-B95_decoys.pdbqt | data/3K/3KKU-B95/3KKU-B95_decoy_scores.csv |
3KI5-G9M | data/3K/3KI5-G9M/3KI5-G9M_ligand.pdbqt | data/3K/3KI5-G9M/3KI5-G9M_target.pdbqt | data/3K/3KI5-G9M/3KI5-G9M_decoys.pdbqt | data/3K/3KI5-G9M/3KI5-G9M_decoy_scores.csv |
3KUD-GDP | data/3K/3KUD-GDP/3KUD-GDP_ligand.pdbqt | data/3K/3KUD-GDP/3KUD-GDP_target.pdbqt | data/3K/3KUD-GDP/3KUD-GDP_decoys.pdbqt | data/3K/3KUD-GDP/3KUD-GDP_decoy_scores.csv |
3KIG-DA9 | data/3K/3KIG-DA9/3KIG-DA9_ligand.pdbqt | data/3K/3KIG-DA9/3KIG-DA9_target.pdbqt | data/3K/3KIG-DA9/3KIG-DA9_decoys.pdbqt | data/3K/3KIG-DA9/3KIG-DA9_decoy_scores.csv |
3KR2-ET2 | data/3K/3KR2-ET2/3KR2-ET2_ligand.pdbqt | data/3K/3KR2-ET2/3KR2-ET2_target.pdbqt | data/3K/3KR2-ET2/3KR2-ET2_decoys.pdbqt | data/3K/3KR2-ET2/3KR2-ET2_decoy_scores.csv |
3K1J-PE4 | data/3K/3K1J-PE4/3K1J-PE4_ligand.pdbqt | data/3K/3K1J-PE4/3K1J-PE4_target.pdbqt | data/3K/3K1J-PE4/3K1J-PE4_decoys.pdbqt | data/3K/3K1J-PE4/3K1J-PE4_decoy_scores.csv |
3KME-Z59 | data/3K/3KME-Z59/3KME-Z59_ligand.pdbqt | data/3K/3KME-Z59/3KME-Z59_target.pdbqt | data/3K/3KME-Z59/3KME-Z59_decoys.pdbqt | data/3K/3KME-Z59/3KME-Z59_decoy_scores.csv |
3K3J-I46 | data/3K/3K3J-I46/3K3J-I46_ligand.pdbqt | data/3K/3K3J-I46/3K3J-I46_target.pdbqt | data/3K/3K3J-I46/3K3J-I46_decoys.pdbqt | data/3K/3K3J-I46/3K3J-I46_decoy_scores.csv |
3KVK-FMN | data/3K/3KVK-FMN/3KVK-FMN_ligand.pdbqt | data/3K/3KVK-FMN/3KVK-FMN_target.pdbqt | data/3K/3KVK-FMN/3KVK-FMN_decoys.pdbqt | data/3K/3KVK-FMN/3KVK-FMN_decoy_scores.csv |
3K3I-JZJ | data/3K/3K3I-JZJ/3K3I-JZJ_ligand.pdbqt | data/3K/3K3I-JZJ/3K3I-JZJ_target.pdbqt | data/3K/3K3I-JZJ/3K3I-JZJ_decoys.pdbqt | data/3K/3K3I-JZJ/3K3I-JZJ_decoy_scores.csv |
3KRP-GPP | data/3K/3KRP-GPP/3KRP-GPP_ligand.pdbqt | data/3K/3KRP-GPP/3KRP-GPP_target.pdbqt | data/3K/3KRP-GPP/3KRP-GPP_decoys.pdbqt | data/3K/3KRP-GPP/3KRP-GPP_decoy_scores.csv |
3KIG-DA4 | data/3K/3KIG-DA4/3KIG-DA4_ligand.pdbqt | data/3K/3KIG-DA4/3KIG-DA4_target.pdbqt | data/3K/3KIG-DA4/3KIG-DA4_decoys.pdbqt | data/3K/3KIG-DA4/3KIG-DA4_decoy_scores.csv |
3K31-NAD | data/3K/3K31-NAD/3K31-NAD_ligand.pdbqt | data/3K/3K31-NAD/3K31-NAD_target.pdbqt | data/3K/3K31-NAD/3K31-NAD_decoys.pdbqt | data/3K/3K31-NAD/3K31-NAD_decoy_scores.csv |
3KDU-NKS | data/3K/3KDU-NKS/3KDU-NKS_ligand.pdbqt | data/3K/3KDU-NKS/3KDU-NKS_target.pdbqt | data/3K/3KDU-NKS/3KDU-NKS_decoys.pdbqt | data/3K/3KDU-NKS/3KDU-NKS_decoy_scores.csv |
3KW0-LYS | data/3K/3KW0-LYS/3KW0-LYS_ligand.pdbqt | data/3K/3KW0-LYS/3KW0-LYS_target.pdbqt | data/3K/3KW0-LYS/3KW0-LYS_decoys.pdbqt | data/3K/3KW0-LYS/3KW0-LYS_decoy_scores.csv |
3KE5-ATP | data/3K/3KE5-ATP/3KE5-ATP_ligand.pdbqt | data/3K/3KE5-ATP/3KE5-ATP_target.pdbqt | data/3K/3KE5-ATP/3KE5-ATP_decoys.pdbqt | data/3K/3KE5-ATP/3KE5-ATP_decoy_scores.csv |
3K8D-CTP | data/3K/3K8D-CTP/3K8D-CTP_ligand.pdbqt | data/3K/3K8D-CTP/3K8D-CTP_target.pdbqt | data/3K/3K8D-CTP/3K8D-CTP_decoys.pdbqt | data/3K/3K8D-CTP/3K8D-CTP_decoy_scores.csv |
3K3K-A8S | data/3K/3K3K-A8S/3K3K-A8S_ligand.pdbqt | data/3K/3K3K-A8S/3K3K-A8S_target.pdbqt | data/3K/3K3K-A8S/3K3K-A8S_decoys.pdbqt | data/3K/3K3K-A8S/3K3K-A8S_decoy_scores.csv |
3KI0-G9D | data/3K/3KI0-G9D/3KI0-G9D_ligand.pdbqt | data/3K/3KI0-G9D/3KI0-G9D_target.pdbqt | data/3K/3KI0-G9D/3KI0-G9D_decoys.pdbqt | data/3K/3KI0-G9D/3KI0-G9D_decoy_scores.csv |
3KZQ-PG6 | data/3K/3KZQ-PG6/3KZQ-PG6_ligand.pdbqt | data/3K/3KZQ-PG6/3KZQ-PG6_target.pdbqt | data/3K/3KZQ-PG6/3KZQ-PG6_decoys.pdbqt | data/3K/3KZQ-PG6/3KZQ-PG6_decoy_scores.csv |
3KQT-ES7 | data/3K/3KQT-ES7/3KQT-ES7_ligand.pdbqt | data/3K/3KQT-ES7/3KQT-ES7_target.pdbqt | data/3K/3KQT-ES7/3KQT-ES7_decoys.pdbqt | data/3K/3KQT-ES7/3KQT-ES7_decoy_scores.csv |
3K2F-NKX | data/3K/3K2F-NKX/3K2F-NKX_ligand.pdbqt | data/3K/3K2F-NKX/3K2F-NKX_target.pdbqt | data/3K/3K2F-NKX/3K2F-NKX_decoys.pdbqt | data/3K/3K2F-NKX/3K2F-NKX_decoy_scores.csv |
3KAN-RW1 | data/3K/3KAN-RW1/3KAN-RW1_ligand.pdbqt | data/3K/3KAN-RW1/3KAN-RW1_target.pdbqt | data/3K/3KAN-RW1/3KAN-RW1_decoys.pdbqt | data/3K/3KAN-RW1/3KAN-RW1_decoy_scores.csv |
3KUH-PH2 | data/3K/3KUH-PH2/3KUH-PH2_ligand.pdbqt | data/3K/3KUH-PH2/3KUH-PH2_target.pdbqt | data/3K/3KUH-PH2/3KUH-PH2_decoys.pdbqt | data/3K/3KUH-PH2/3KUH-PH2_decoy_scores.csv |
3KMZ-EQO | data/3K/3KMZ-EQO/3KMZ-EQO_ligand.pdbqt | data/3K/3KMZ-EQO/3KMZ-EQO_target.pdbqt | data/3K/3KMZ-EQO/3KMZ-EQO_decoys.pdbqt | data/3K/3KMZ-EQO/3KMZ-EQO_decoy_scores.csv |
3KL0-HIS | data/3K/3KL0-HIS/3KL0-HIS_ligand.pdbqt | data/3K/3KL0-HIS/3KL0-HIS_target.pdbqt | data/3K/3KL0-HIS/3KL0-HIS_decoys.pdbqt | data/3K/3KL0-HIS/3KL0-HIS_decoy_scores.csv |
3KI3-G9H | data/3K/3KI3-G9H/3KI3-G9H_ligand.pdbqt | data/3K/3KI3-G9H/3KI3-G9H_target.pdbqt | data/3K/3KI3-G9H/3KI3-G9H_decoys.pdbqt | data/3K/3KI3-G9H/3KI3-G9H_decoy_scores.csv |
3KGP-4AZ | data/3K/3KGP-4AZ/3KGP-4AZ_ligand.pdbqt | data/3K/3KGP-4AZ/3KGP-4AZ_target.pdbqt | data/3K/3KGP-4AZ/3KGP-4AZ_decoys.pdbqt | data/3K/3KGP-4AZ/3KGP-4AZ_decoy_scores.csv |
3KRO-IPE | data/3K/3KRO-IPE/3KRO-IPE_ligand.pdbqt | data/3K/3KRO-IPE/3KRO-IPE_target.pdbqt | data/3K/3KRO-IPE/3KRO-IPE_decoys.pdbqt | data/3K/3KRO-IPE/3KRO-IPE_decoy_scores.csv |
3KP1-5AD | data/3K/3KP1-5AD/3KP1-5AD_ligand.pdbqt | data/3K/3KP1-5AD/3KP1-5AD_target.pdbqt | data/3K/3KP1-5AD/3KP1-5AD_decoys.pdbqt | data/3K/3KP1-5AD/3KP1-5AD_decoy_scores.csv |
3KXN-K8X | data/3K/3KXN-K8X/3KXN-K8X_ligand.pdbqt | data/3K/3KXN-K8X/3KXN-K8X_target.pdbqt | data/3K/3KXN-K8X/3KXN-K8X_decoys.pdbqt | data/3K/3KXN-K8X/3KXN-K8X_decoy_scores.csv |
3KGU-GEN | data/3K/3KGU-GEN/3KGU-GEN_ligand.pdbqt | data/3K/3KGU-GEN/3KGU-GEN_target.pdbqt | data/3K/3KGU-GEN/3KGU-GEN_decoys.pdbqt | data/3K/3KGU-GEN/3KGU-GEN_decoy_scores.csv |
3KFL-ME8 | data/3K/3KFL-ME8/3KFL-ME8_ligand.pdbqt | data/3K/3KFL-ME8/3KFL-ME8_target.pdbqt | data/3K/3KFL-ME8/3KFL-ME8_decoys.pdbqt | data/3K/3KFL-ME8/3KFL-ME8_decoy_scores.csv |
3K22-JZR | data/3K/3K22-JZR/3K22-JZR_ligand.pdbqt | data/3K/3K22-JZR/3K22-JZR_target.pdbqt | data/3K/3K22-JZR/3K22-JZR_decoys.pdbqt | data/3K/3K22-JZR/3K22-JZR_decoy_scores.csv |
3KPB-SAM | data/3K/3KPB-SAM/3KPB-SAM_ligand.pdbqt | data/3K/3KPB-SAM/3KPB-SAM_target.pdbqt | data/3K/3KPB-SAM/3KPB-SAM_decoys.pdbqt | data/3K/3KPB-SAM/3KPB-SAM_decoy_scores.csv |
3KJQ-B94 | data/3K/3KJQ-B94/3KJQ-B94_ligand.pdbqt | data/3K/3KJQ-B94/3KJQ-B94_target.pdbqt | data/3K/3KJQ-B94/3KJQ-B94_decoys.pdbqt | data/3K/3KJQ-B94/3KJQ-B94_decoy_scores.csv |
3KVN-C8E | data/3K/3KVN-C8E/3KVN-C8E_ligand.pdbqt | data/3K/3KVN-C8E/3KVN-C8E_target.pdbqt | data/3K/3KVN-C8E/3KVN-C8E_decoys.pdbqt | data/3K/3KVN-C8E/3KVN-C8E_decoy_scores.csv |
3KB2-G3D | data/3K/3KB2-G3D/3KB2-G3D_ligand.pdbqt | data/3K/3KB2-G3D/3KB2-G3D_target.pdbqt | data/3K/3KB2-G3D/3KB2-G3D_decoys.pdbqt | data/3K/3KB2-G3D/3KB2-G3D_decoy_scores.csv |
3KIF-GDL | data/3K/3KIF-GDL/3KIF-GDL_ligand.pdbqt | data/3K/3KIF-GDL/3KIF-GDL_target.pdbqt | data/3K/3KIF-GDL/3KIF-GDL_decoys.pdbqt | data/3K/3KIF-GDL/3KIF-GDL_decoy_scores.csv |
3KAI-4FI | data/3K/3KAI-4FI/3KAI-4FI_ligand.pdbqt | data/3K/3KAI-4FI/3KAI-4FI_target.pdbqt | data/3K/3KAI-4FI/3KAI-4FI_decoys.pdbqt | data/3K/3KAI-4FI/3KAI-4FI_decoy_scores.csv |
3KTL-GTX | data/3K/3KTL-GTX/3KTL-GTX_ligand.pdbqt | data/3K/3KTL-GTX/3KTL-GTX_target.pdbqt | data/3K/3KTL-GTX/3KTL-GTX_decoys.pdbqt | data/3K/3KTL-GTX/3KTL-GTX_decoy_scores.csv |
3KQ7-KQ7 | data/3K/3KQ7-KQ7/3KQ7-KQ7_ligand.pdbqt | data/3K/3KQ7-KQ7/3KQ7-KQ7_target.pdbqt | data/3K/3KQ7-KQ7/3KQ7-KQ7_decoys.pdbqt | data/3K/3KQ7-KQ7/3KQ7-KQ7_decoy_scores.csv |
3K7Q-HNL | data/3K/3K7Q-HNL/3K7Q-HNL_ligand.pdbqt | data/3K/3K7Q-HNL/3K7Q-HNL_target.pdbqt | data/3K/3K7Q-HNL/3K7Q-HNL_decoys.pdbqt | data/3K/3K7Q-HNL/3K7Q-HNL_decoy_scores.csv |
3KD6-AMP | data/3K/3KD6-AMP/3KD6-AMP_ligand.pdbqt | data/3K/3KD6-AMP/3KD6-AMP_target.pdbqt | data/3K/3KD6-AMP/3KD6-AMP_decoys.pdbqt | data/3K/3KD6-AMP/3KD6-AMP_decoy_scores.csv |
3KQS-SAH | data/3K/3KQS-SAH/3KQS-SAH_ligand.pdbqt | data/3K/3KQS-SAH/3KQS-SAH_target.pdbqt | data/3K/3KQS-SAH/3KQS-SAH_decoys.pdbqt | data/3K/3KQS-SAH/3KQS-SAH_decoy_scores.csv |
3KI2-G9G | data/3K/3KI2-G9G/3KI2-G9G_ligand.pdbqt | data/3K/3KI2-G9G/3KI2-G9G_target.pdbqt | data/3K/3KI2-G9G/3KI2-G9G_decoys.pdbqt | data/3K/3KI2-G9G/3KI2-G9G_decoy_scores.csv |
3K8Y-GNP | data/3K/3K8Y-GNP/3K8Y-GNP_ligand.pdbqt | data/3K/3K8Y-GNP/3K8Y-GNP_target.pdbqt | data/3K/3K8Y-GNP/3K8Y-GNP_decoys.pdbqt | data/3K/3K8Y-GNP/3K8Y-GNP_decoy_scores.csv |
3KPV-SAH | data/3K/3KPV-SAH/3KPV-SAH_ligand.pdbqt | data/3K/3KPV-SAH/3KPV-SAH_target.pdbqt | data/3K/3KPV-SAH/3KPV-SAH_decoys.pdbqt | data/3K/3KPV-SAH/3KPV-SAH_decoy_scores.csv |
3K2X-I5A | data/3K/3K2X-I5A/3K2X-I5A_ligand.pdbqt | data/3K/3K2X-I5A/3K2X-I5A_target.pdbqt | data/3K/3K2X-I5A/3K2X-I5A_decoys.pdbqt | data/3K/3K2X-I5A/3K2X-I5A_decoy_scores.csv |
3KSD-NAD | data/3K/3KSD-NAD/3KSD-NAD_ligand.pdbqt | data/3K/3KSD-NAD/3KSD-NAD_target.pdbqt | data/3K/3KSD-NAD/3KSD-NAD_decoys.pdbqt | data/3K/3KSD-NAD/3KSD-NAD_decoy_scores.csv |
3KKT-0CP | data/3K/3KKT-0CP/3KKT-0CP_ligand.pdbqt | data/3K/3KKT-0CP/3KKT-0CP_target.pdbqt | data/3K/3KKT-0CP/3KKT-0CP_decoys.pdbqt | data/3K/3KKT-0CP/3KKT-0CP_decoy_scores.csv |
3K3H-BYE | data/3K/3K3H-BYE/3K3H-BYE_ligand.pdbqt | data/3K/3K3H-BYE/3K3H-BYE_target.pdbqt | data/3K/3K3H-BYE/3K3H-BYE_decoys.pdbqt | data/3K/3K3H-BYE/3K3H-BYE_decoy_scores.csv |
3KKM-GNP | data/3K/3KKM-GNP/3KKM-GNP_ligand.pdbqt | data/3K/3KKM-GNP/3KKM-GNP_target.pdbqt | data/3K/3KKM-GNP/3KKM-GNP_decoys.pdbqt | data/3K/3KKM-GNP/3KKM-GNP_decoy_scores.csv |
3K4S-0MO | data/3K/3K4S-0MO/3K4S-0MO_ligand.pdbqt | data/3K/3K4S-0MO/3K4S-0MO_target.pdbqt | data/3K/3K4S-0MO/3K4S-0MO_decoys.pdbqt | data/3K/3K4S-0MO/3K4S-0MO_decoy_scores.csv |
3KDC-JZP | data/3K/3KDC-JZP/3KDC-JZP_ligand.pdbqt | data/3K/3KDC-JZP/3KDC-JZP_target.pdbqt | data/3K/3KDC-JZP/3KDC-JZP_decoys.pdbqt | data/3K/3KDC-JZP/3KDC-JZP_decoy_scores.csv |
3KHQ-FLC | data/3K/3KHQ-FLC/3KHQ-FLC_ligand.pdbqt | data/3K/3KHQ-FLC/3KHQ-FLC_target.pdbqt | data/3K/3KHQ-FLC/3KHQ-FLC_decoys.pdbqt | data/3K/3KHQ-FLC/3KHQ-FLC_decoy_scores.csv |
3K99-PFT | data/3K/3K99-PFT/3K99-PFT_ligand.pdbqt | data/3K/3K99-PFT/3K99-PFT_target.pdbqt | data/3K/3K99-PFT/3K99-PFT_decoys.pdbqt | data/3K/3K99-PFT/3K99-PFT_decoy_scores.csv |
3KJF-B92 | data/3K/3KJF-B92/3KJF-B92_ligand.pdbqt | data/3K/3KJF-B92/3KJF-B92_target.pdbqt | data/3K/3KJF-B92/3KJF-B92_decoys.pdbqt | data/3K/3KJF-B92/3KJF-B92_decoy_scores.csv |
3KS9-Z99 | data/3K/3KS9-Z99/3KS9-Z99_ligand.pdbqt | data/3K/3KS9-Z99/3KS9-Z99_target.pdbqt | data/3K/3KS9-Z99/3KS9-Z99_decoys.pdbqt | data/3K/3KS9-Z99/3KS9-Z99_decoy_scores.csv |
3KJN-B93 | data/3K/3KJN-B93/3KJN-B93_ligand.pdbqt | data/3K/3KJN-B93/3KJN-B93_target.pdbqt | data/3K/3KJN-B93/3KJN-B93_decoys.pdbqt | data/3K/3KJN-B93/3KJN-B93_decoy_scores.csv |
3KVK-6X1 | data/3K/3KVK-6X1/3KVK-6X1_ligand.pdbqt | data/3K/3KVK-6X1/3KVK-6X1_target.pdbqt | data/3K/3KVK-6X1/3KVK-6X1_decoys.pdbqt | data/3K/3KVK-6X1/3KVK-6X1_decoy_scores.csv |
3KAC-4BX | data/3K/3KAC-4BX/3KAC-4BX_ligand.pdbqt | data/3K/3KAC-4BX/3KAC-4BX_target.pdbqt | data/3K/3KAC-4BX/3KAC-4BX_decoys.pdbqt | data/3K/3KAC-4BX/3KAC-4BX_decoy_scores.csv |
3KPV-ADE | data/3K/3KPV-ADE/3KPV-ADE_ligand.pdbqt | data/3K/3KPV-ADE/3KPV-ADE_target.pdbqt | data/3K/3KPV-ADE/3KPV-ADE_decoys.pdbqt | data/3K/3KPV-ADE/3KPV-ADE_decoy_scores.csv |
3KDJ-A8S | data/3K/3KDJ-A8S/3KDJ-A8S_ligand.pdbqt | data/3K/3KDJ-A8S/3KDJ-A8S_target.pdbqt | data/3K/3KDJ-A8S/3KDJ-A8S_decoys.pdbqt | data/3K/3KDJ-A8S/3KDJ-A8S_decoy_scores.csv |
3K3C-PLM | data/3K/3K3C-PLM/3K3C-PLM_ligand.pdbqt | data/3K/3K3C-PLM/3K3C-PLM_target.pdbqt | data/3K/3K3C-PLM/3K3C-PLM_decoys.pdbqt | data/3K/3K3C-PLM/3K3C-PLM_decoy_scores.csv |
3KZK-OLN | data/3K/3KZK-OLN/3KZK-OLN_ligand.pdbqt | data/3K/3KZK-OLN/3KZK-OLN_target.pdbqt | data/3K/3KZK-OLN/3KZK-OLN_decoys.pdbqt | data/3K/3KZK-OLN/3KZK-OLN_decoy_scores.csv |
3K5I-NHE | data/3K/3K5I-NHE/3K5I-NHE_ligand.pdbqt | data/3K/3K5I-NHE/3K5I-NHE_target.pdbqt | data/3K/3K5I-NHE/3K5I-NHE_decoys.pdbqt | data/3K/3K5I-NHE/3K5I-NHE_decoy_scores.csv |
3KVX-FMY | data/3K/3KVX-FMY/3KVX-FMY_ligand.pdbqt | data/3K/3KVX-FMY/3KVX-FMY_target.pdbqt | data/3K/3KVX-FMY/3KVX-FMY_decoys.pdbqt | data/3K/3KVX-FMY/3KVX-FMY_decoy_scores.csv |
3KAD-12P | data/3K/3KAD-12P/3KAD-12P_ligand.pdbqt | data/3K/3KAD-12P/3KAD-12P_target.pdbqt | data/3K/3KAD-12P/3KAD-12P_decoys.pdbqt | data/3K/3KAD-12P/3KAD-12P_decoy_scores.csv |
3KQJ-UD1 | data/3K/3KQJ-UD1/3KQJ-UD1_ligand.pdbqt | data/3K/3KQJ-UD1/3KQJ-UD1_target.pdbqt | data/3K/3KQJ-UD1/3KQJ-UD1_decoys.pdbqt | data/3K/3KQJ-UD1/3KQJ-UD1_decoy_scores.csv |
3KAH-4DH | data/3K/3KAH-4DH/3KAH-4DH_ligand.pdbqt | data/3K/3KAH-4DH/3KAH-4DH_target.pdbqt | data/3K/3KAH-4DH/3KAH-4DH_decoys.pdbqt | data/3K/3KAH-4DH/3KAH-4DH_decoy_scores.csv |
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