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 ⌀ |
|---|---|---|---|---|
1KA0-AMP | data/1K/1KA0-AMP/1KA0-AMP_ligand.pdbqt | data/1K/1KA0-AMP/1KA0-AMP_target.pdbqt | data/1K/1KA0-AMP/1KA0-AMP_decoys.pdbqt | data/1K/1KA0-AMP/1KA0-AMP_decoy_scores.csv |
1KAZ-ATP | data/1K/1KAZ-ATP/1KAZ-ATP_ligand.pdbqt | data/1K/1KAZ-ATP/1KAZ-ATP_target.pdbqt | data/1K/1KAZ-ATP/1KAZ-ATP_decoys.pdbqt | data/1K/1KAZ-ATP/1KAZ-ATP_decoy_scores.csv |
1KIC-NOS | data/1K/1KIC-NOS/1KIC-NOS_ligand.pdbqt | data/1K/1KIC-NOS/1KIC-NOS_target.pdbqt | data/1K/1KIC-NOS/1KIC-NOS_decoys.pdbqt | data/1K/1KIC-NOS/1KIC-NOS_decoy_scores.csv |
1KTI-AZC | data/1K/1KTI-AZC/1KTI-AZC_ligand.pdbqt | data/1K/1KTI-AZC/1KTI-AZC_target.pdbqt | data/1K/1KTI-AZC/1KTI-AZC_decoys.pdbqt | data/1K/1KTI-AZC/1KTI-AZC_decoy_scores.csv |
1KBJ-FMN | data/1K/1KBJ-FMN/1KBJ-FMN_ligand.pdbqt | data/1K/1KBJ-FMN/1KBJ-FMN_target.pdbqt | data/1K/1KBJ-FMN/1KBJ-FMN_decoys.pdbqt | data/1K/1KBJ-FMN/1KBJ-FMN_decoy_scores.csv |
1KIE-AD3 | data/1K/1KIE-AD3/1KIE-AD3_ligand.pdbqt | data/1K/1KIE-AD3/1KIE-AD3_target.pdbqt | data/1K/1KIE-AD3/1KIE-AD3_decoys.pdbqt | data/1K/1KIE-AD3/1KIE-AD3_decoy_scores.csv |
1KVR-UDP | data/1K/1KVR-UDP/1KVR-UDP_ligand.pdbqt | data/1K/1KVR-UDP/1KVR-UDP_target.pdbqt | data/1K/1KVR-UDP/1KVR-UDP_decoys.pdbqt | data/1K/1KVR-UDP/1KVR-UDP_decoy_scores.csv |
1K4C-F09 | data/1K/1K4C-F09/1K4C-F09_ligand.pdbqt | data/1K/1K4C-F09/1K4C-F09_target.pdbqt | data/1K/1K4C-F09/1K4C-F09_decoys.pdbqt | data/1K/1K4C-F09/1K4C-F09_decoy_scores.csv |
1KEE-ADP | data/1K/1KEE-ADP/1KEE-ADP_ligand.pdbqt | data/1K/1KEE-ADP/1KEE-ADP_target.pdbqt | data/1K/1KEE-ADP/1KEE-ADP_decoys.pdbqt | data/1K/1KEE-ADP/1KEE-ADP_decoy_scores.csv |
1KB0-PQQ | data/1K/1KB0-PQQ/1KB0-PQQ_ligand.pdbqt | data/1K/1KB0-PQQ/1KB0-PQQ_target.pdbqt | data/1K/1KB0-PQQ/1KB0-PQQ_decoys.pdbqt | data/1K/1KB0-PQQ/1KB0-PQQ_decoy_scores.csv |
1K2U-H4B | data/1K/1K2U-H4B/1K2U-H4B_ligand.pdbqt | data/1K/1K2U-H4B/1K2U-H4B_target.pdbqt | data/1K/1K2U-H4B/1K2U-H4B_decoys.pdbqt | data/1K/1K2U-H4B/1K2U-H4B_decoy_scores.csv |
1KO0-LYS | data/1K/1KO0-LYS/1KO0-LYS_ligand.pdbqt | data/1K/1KO0-LYS/1KO0-LYS_target.pdbqt | data/1K/1KO0-LYS/1KO0-LYS_decoys.pdbqt | data/1K/1KO0-LYS/1KO0-LYS_decoy_scores.csv |
1K1O-IGN | data/1K/1K1O-IGN/1K1O-IGN_ligand.pdbqt | data/1K/1K1O-IGN/1K1O-IGN_target.pdbqt | data/1K/1K1O-IGN/1K1O-IGN_decoys.pdbqt | data/1K/1K1O-IGN/1K1O-IGN_decoy_scores.csv |
1KNU-YPA | data/1K/1KNU-YPA/1KNU-YPA_ligand.pdbqt | data/1K/1KNU-YPA/1KNU-YPA_target.pdbqt | data/1K/1KNU-YPA/1KNU-YPA_decoys.pdbqt | data/1K/1KNU-YPA/1KNU-YPA_decoy_scores.csv |
1KQU-BR4 | data/1K/1KQU-BR4/1KQU-BR4_ligand.pdbqt | data/1K/1KQU-BR4/1KQU-BR4_target.pdbqt | data/1K/1KQU-BR4/1KQU-BR4_decoys.pdbqt | data/1K/1KQU-BR4/1KQU-BR4_decoy_scores.csv |
1K3L-GTX | data/1K/1K3L-GTX/1K3L-GTX_ligand.pdbqt | data/1K/1K3L-GTX/1K3L-GTX_target.pdbqt | data/1K/1K3L-GTX/1K3L-GTX_decoys.pdbqt | data/1K/1K3L-GTX/1K3L-GTX_decoy_scores.csv |
1KW0-TIH | data/1K/1KW0-TIH/1KW0-TIH_ligand.pdbqt | data/1K/1KW0-TIH/1KW0-TIH_target.pdbqt | data/1K/1KW0-TIH/1KW0-TIH_decoys.pdbqt | data/1K/1KW0-TIH/1KW0-TIH_decoy_scores.csv |
1KJJ-MPO | data/1K/1KJJ-MPO/1KJJ-MPO_ligand.pdbqt | data/1K/1KJJ-MPO/1KJJ-MPO_target.pdbqt | data/1K/1KJJ-MPO/1KJJ-MPO_decoys.pdbqt | data/1K/1KJJ-MPO/1KJJ-MPO_decoy_scores.csv |
1KP8-AGS | data/1K/1KP8-AGS/1KP8-AGS_ligand.pdbqt | data/1K/1KP8-AGS/1KP8-AGS_target.pdbqt | data/1K/1KP8-AGS/1KP8-AGS_decoys.pdbqt | data/1K/1KP8-AGS/1KP8-AGS_decoy_scores.csv |
1KZI-UMP | data/1K/1KZI-UMP/1KZI-UMP_ligand.pdbqt | data/1K/1KZI-UMP/1KZI-UMP_target.pdbqt | data/1K/1KZI-UMP/1KZI-UMP_decoys.pdbqt | data/1K/1KZI-UMP/1KZI-UMP_decoy_scores.csv |
1KYW-SAH | data/1K/1KYW-SAH/1KYW-SAH_ligand.pdbqt | data/1K/1KYW-SAH/1KYW-SAH_target.pdbqt | data/1K/1KYW-SAH/1KYW-SAH_decoys.pdbqt | data/1K/1KYW-SAH/1KYW-SAH_decoy_scores.csv |
1KPG-16A | data/1K/1KPG-16A/1KPG-16A_ligand.pdbqt | data/1K/1KPG-16A/1KPG-16A_target.pdbqt | data/1K/1KPG-16A/1KPG-16A_decoys.pdbqt | data/1K/1KPG-16A/1KPG-16A_decoy_scores.csv |
1KGQ-NPI | data/1K/1KGQ-NPI/1KGQ-NPI_ligand.pdbqt | data/1K/1KGQ-NPI/1KGQ-NPI_target.pdbqt | data/1K/1KGQ-NPI/1KGQ-NPI_decoys.pdbqt | data/1K/1KGQ-NPI/1KGQ-NPI_decoy_scores.csv |
1KK3-GDP | data/1K/1KK3-GDP/1KK3-GDP_ligand.pdbqt | data/1K/1KK3-GDP/1KK3-GDP_target.pdbqt | data/1K/1KK3-GDP/1KK3-GDP_decoys.pdbqt | data/1K/1KK3-GDP/1KK3-GDP_decoy_scores.csv |
1KPM-VIT | data/1K/1KPM-VIT/1KPM-VIT_ligand.pdbqt | data/1K/1KPM-VIT/1KPM-VIT_target.pdbqt | data/1K/1KPM-VIT/1KPM-VIT_decoys.pdbqt | data/1K/1KPM-VIT/1KPM-VIT_decoy_scores.csv |
1KVS-UPG | data/1K/1KVS-UPG/1KVS-UPG_ligand.pdbqt | data/1K/1KVS-UPG/1KVS-UPG_target.pdbqt | data/1K/1KVS-UPG/1KVS-UPG_decoys.pdbqt | data/1K/1KVS-UPG/1KVS-UPG_decoy_scores.csv |
1KN1-CYC | data/1K/1KN1-CYC/1KN1-CYC_ligand.pdbqt | data/1K/1KN1-CYC/1KN1-CYC_target.pdbqt | data/1K/1KN1-CYC/1KN1-CYC_decoys.pdbqt | data/1K/1KN1-CYC/1KN1-CYC_decoy_scores.csv |
1KG8-LI1 | data/1K/1KG8-LI1/1KG8-LI1_ligand.pdbqt | data/1K/1KG8-LI1/1KG8-LI1_target.pdbqt | data/1K/1KG8-LI1/1KG8-LI1_decoys.pdbqt | data/1K/1KG8-LI1/1KG8-LI1_decoy_scores.csv |
1KLK-PMD | data/1K/1KLK-PMD/1KLK-PMD_ligand.pdbqt | data/1K/1KLK-PMD/1KLK-PMD_target.pdbqt | data/1K/1KLK-PMD/1KLK-PMD_decoys.pdbqt | data/1K/1KLK-PMD/1KLK-PMD_decoy_scores.csv |
1KJI-MPO | data/1K/1KJI-MPO/1KJI-MPO_ligand.pdbqt | data/1K/1KJI-MPO/1KJI-MPO_target.pdbqt | data/1K/1KJI-MPO/1KJI-MPO_decoys.pdbqt | data/1K/1KJI-MPO/1KJI-MPO_decoy_scores.csv |
1KK2-GDP | data/1K/1KK2-GDP/1KK2-GDP_ligand.pdbqt | data/1K/1KK2-GDP/1KK2-GDP_target.pdbqt | data/1K/1KK2-GDP/1KK2-GDP_decoys.pdbqt | data/1K/1KK2-GDP/1KK2-GDP_decoy_scores.csv |
1KGZ-PRP | data/1K/1KGZ-PRP/1KGZ-PRP_ligand.pdbqt | data/1K/1KGZ-PRP/1KGZ-PRP_target.pdbqt | data/1K/1KGZ-PRP/1KGZ-PRP_decoys.pdbqt | data/1K/1KGZ-PRP/1KGZ-PRP_decoy_scores.csv |
1KH3-ANP | data/1K/1KH3-ANP/1KH3-ANP_ligand.pdbqt | data/1K/1KH3-ANP/1KH3-ANP_target.pdbqt | data/1K/1KH3-ANP/1KH3-ANP_decoys.pdbqt | data/1K/1KH3-ANP/1KH3-ANP_decoy_scores.csv |
1KEL-AAH | data/1K/1KEL-AAH/1KEL-AAH_ligand.pdbqt | data/1K/1KEL-AAH/1KEL-AAH_target.pdbqt | data/1K/1KEL-AAH/1KEL-AAH_decoys.pdbqt | data/1K/1KEL-AAH/1KEL-AAH_decoy_scores.csv |
1KFJ-PLS | data/1K/1KFJ-PLS/1KFJ-PLS_ligand.pdbqt | data/1K/1KFJ-PLS/1KFJ-PLS_target.pdbqt | data/1K/1KFJ-PLS/1KFJ-PLS_decoys.pdbqt | data/1K/1KFJ-PLS/1KFJ-PLS_decoy_scores.csv |
1KZ8-AMP | data/1K/1KZ8-AMP/1KZ8-AMP_ligand.pdbqt | data/1K/1KZ8-AMP/1KZ8-AMP_target.pdbqt | data/1K/1KZ8-AMP/1KZ8-AMP_decoys.pdbqt | data/1K/1KZ8-AMP/1KZ8-AMP_decoy_scores.csv |
1KAX-ATP | data/1K/1KAX-ATP/1KAX-ATP_ligand.pdbqt | data/1K/1KAX-ATP/1KAX-ATP_target.pdbqt | data/1K/1KAX-ATP/1KAX-ATP_decoys.pdbqt | data/1K/1KAX-ATP/1KAX-ATP_decoy_scores.csv |
1KGB-LI1 | data/1K/1KGB-LI1/1KGB-LI1_ligand.pdbqt | data/1K/1KGB-LI1/1KGB-LI1_target.pdbqt | data/1K/1KGB-LI1/1KGB-LI1_decoys.pdbqt | data/1K/1KGB-LI1/1KGB-LI1_decoy_scores.csv |
1K0G-TRP | data/1K/1K0G-TRP/1K0G-TRP_ligand.pdbqt | data/1K/1K0G-TRP/1K0G-TRP_target.pdbqt | data/1K/1K0G-TRP/1K0G-TRP_decoys.pdbqt | data/1K/1K0G-TRP/1K0G-TRP_decoy_scores.csv |
1K0I-PHB | data/1K/1K0I-PHB/1K0I-PHB_ligand.pdbqt | data/1K/1K0I-PHB/1K0I-PHB_target.pdbqt | data/1K/1K0I-PHB/1K0I-PHB_decoys.pdbqt | data/1K/1K0I-PHB/1K0I-PHB_decoy_scores.csv |
1KVO-OAP | data/1K/1KVO-OAP/1KVO-OAP_ligand.pdbqt | data/1K/1KVO-OAP/1KVO-OAP_target.pdbqt | data/1K/1KVO-OAP/1KVO-OAP_decoys.pdbqt | data/1K/1KVO-OAP/1KVO-OAP_decoy_scores.csv |
1KWX-MFB | data/1K/1KWX-MFB/1KWX-MFB_ligand.pdbqt | data/1K/1KWX-MFB/1KWX-MFB_target.pdbqt | data/1K/1KWX-MFB/1KWX-MFB_decoys.pdbqt | data/1K/1KWX-MFB/1KWX-MFB_decoy_scores.csv |
1KMQ-GNP | data/1K/1KMQ-GNP/1KMQ-GNP_ligand.pdbqt | data/1K/1KMQ-GNP/1KMQ-GNP_target.pdbqt | data/1K/1KMQ-GNP/1KMQ-GNP_decoys.pdbqt | data/1K/1KMQ-GNP/1KMQ-GNP_decoy_scores.csv |
1KTP-BLA | data/1K/1KTP-BLA/1KTP-BLA_ligand.pdbqt | data/1K/1KTP-BLA/1KTP-BLA_target.pdbqt | data/1K/1KTP-BLA/1KTP-BLA_decoys.pdbqt | data/1K/1KTP-BLA/1KTP-BLA_decoy_scores.csv |
1KXP-ATP | data/1K/1KXP-ATP/1KXP-ATP_ligand.pdbqt | data/1K/1KXP-ATP/1KXP-ATP_target.pdbqt | data/1K/1KXP-ATP/1KXP-ATP_decoys.pdbqt | data/1K/1KXP-ATP/1KXP-ATP_decoy_scores.csv |
1K3C-ADP | data/1K/1K3C-ADP/1K3C-ADP_ligand.pdbqt | data/1K/1K3C-ADP/1K3C-ADP_target.pdbqt | null | null |
1KI8-BVD | data/1K/1KI8-BVD/1KI8-BVD_ligand.pdbqt | data/1K/1KI8-BVD/1KI8-BVD_target.pdbqt | data/1K/1KI8-BVD/1KI8-BVD_decoys.pdbqt | data/1K/1KI8-BVD/1KI8-BVD_decoy_scores.csv |
1KSN-FXV | data/1K/1KSN-FXV/1KSN-FXV_ligand.pdbqt | data/1K/1KSN-FXV/1KSN-FXV_target.pdbqt | data/1K/1KSN-FXV/1KSN-FXV_decoys.pdbqt | data/1K/1KSN-FXV/1KSN-FXV_decoy_scores.csv |
1KLZ-U | data/1K/1KLZ-U/1KLZ-U_ligand.pdbqt | data/1K/1KLZ-U/1KLZ-U_target.pdbqt | data/1K/1KLZ-U/1KLZ-U_decoys.pdbqt | data/1K/1KLZ-U/1KLZ-U_decoy_scores.csv |
1KT7-RTL | data/1K/1KT7-RTL/1KT7-RTL_ligand.pdbqt | data/1K/1KT7-RTL/1KT7-RTL_target.pdbqt | data/1K/1KT7-RTL/1KT7-RTL_decoys.pdbqt | data/1K/1KT7-RTL/1KT7-RTL_decoy_scores.csv |
1KB9-UMQ | data/1K/1KB9-UMQ/1KB9-UMQ_ligand.pdbqt | data/1K/1KB9-UMQ/1KB9-UMQ_target.pdbqt | data/1K/1KB9-UMQ/1KB9-UMQ_decoys.pdbqt | data/1K/1KB9-UMQ/1KB9-UMQ_decoy_scores.csv |
1KJ8-MPO | data/1K/1KJ8-MPO/1KJ8-MPO_ligand.pdbqt | data/1K/1KJ8-MPO/1KJ8-MPO_target.pdbqt | data/1K/1KJ8-MPO/1KJ8-MPO_decoys.pdbqt | data/1K/1KJ8-MPO/1KJ8-MPO_decoy_scores.csv |
1KMO-LDA | data/1K/1KMO-LDA/1KMO-LDA_ligand.pdbqt | data/1K/1KMO-LDA/1KMO-LDA_target.pdbqt | data/1K/1KMO-LDA/1KMO-LDA_decoys.pdbqt | data/1K/1KMO-LDA/1KMO-LDA_decoy_scores.csv |
1K4D-DGA | data/1K/1K4D-DGA/1K4D-DGA_ligand.pdbqt | data/1K/1K4D-DGA/1K4D-DGA_target.pdbqt | data/1K/1K4D-DGA/1K4D-DGA_decoys.pdbqt | data/1K/1K4D-DGA/1K4D-DGA_decoy_scores.csv |
1K74-9CR | data/1K/1K74-9CR/1K74-9CR_ligand.pdbqt | data/1K/1K74-9CR/1K74-9CR_target.pdbqt | data/1K/1K74-9CR/1K74-9CR_decoys.pdbqt | data/1K/1K74-9CR/1K74-9CR_decoy_scores.csv |
1KER-DAU | data/1K/1KER-DAU/1KER-DAU_ligand.pdbqt | data/1K/1KER-DAU/1KER-DAU_target.pdbqt | data/1K/1KER-DAU/1KER-DAU_decoys.pdbqt | data/1K/1KER-DAU/1KER-DAU_decoy_scores.csv |
1KFC-IPL | data/1K/1KFC-IPL/1KFC-IPL_ligand.pdbqt | data/1K/1KFC-IPL/1KFC-IPL_target.pdbqt | data/1K/1KFC-IPL/1KFC-IPL_decoys.pdbqt | data/1K/1KFC-IPL/1KFC-IPL_decoy_scores.csv |
1KVM-CEO | data/1K/1KVM-CEO/1KVM-CEO_ligand.pdbqt | data/1K/1KVM-CEO/1KVM-CEO_target.pdbqt | data/1K/1KVM-CEO/1KVM-CEO_decoys.pdbqt | data/1K/1KVM-CEO/1KVM-CEO_decoy_scores.csv |
1K6C-MK1 | data/1K/1K6C-MK1/1K6C-MK1_ligand.pdbqt | data/1K/1K6C-MK1/1K6C-MK1_target.pdbqt | data/1K/1K6C-MK1/1K6C-MK1_decoys.pdbqt | data/1K/1K6C-MK1/1K6C-MK1_decoy_scores.csv |
1KDK-DHT | data/1K/1KDK-DHT/1KDK-DHT_ligand.pdbqt | data/1K/1KDK-DHT/1KDK-DHT_target.pdbqt | data/1K/1KDK-DHT/1KDK-DHT_decoys.pdbqt | data/1K/1KDK-DHT/1KDK-DHT_decoy_scores.csv |
1KUJ-MMA | data/1K/1KUJ-MMA/1KUJ-MMA_ligand.pdbqt | data/1K/1KUJ-MMA/1KUJ-MMA_target.pdbqt | data/1K/1KUJ-MMA/1KUJ-MMA_decoys.pdbqt | data/1K/1KUJ-MMA/1KUJ-MMA_decoy_scores.csv |
1KW6-BPY | data/1K/1KW6-BPY/1KW6-BPY_ligand.pdbqt | data/1K/1KW6-BPY/1KW6-BPY_target.pdbqt | data/1K/1KW6-BPY/1KW6-BPY_decoys.pdbqt | data/1K/1KW6-BPY/1KW6-BPY_decoy_scores.csv |
1K9S-FM1 | data/1K/1K9S-FM1/1K9S-FM1_ligand.pdbqt | data/1K/1K9S-FM1/1K9S-FM1_target.pdbqt | data/1K/1K9S-FM1/1K9S-FM1_decoys.pdbqt | data/1K/1K9S-FM1/1K9S-FM1_decoy_scores.csv |
1KHF-PEP | data/1K/1KHF-PEP/1KHF-PEP_ligand.pdbqt | data/1K/1KHF-PEP/1KHF-PEP_target.pdbqt | data/1K/1KHF-PEP/1KHF-PEP_decoys.pdbqt | data/1K/1KHF-PEP/1KHF-PEP_decoy_scores.csv |
1KM3-UP6 | data/1K/1KM3-UP6/1KM3-UP6_ligand.pdbqt | data/1K/1KM3-UP6/1KM3-UP6_target.pdbqt | data/1K/1KM3-UP6/1KM3-UP6_decoys.pdbqt | data/1K/1KM3-UP6/1KM3-UP6_decoy_scores.csv |
1KP3-CIR | data/1K/1KP3-CIR/1KP3-CIR_ligand.pdbqt | data/1K/1KP3-CIR/1KP3-CIR_target.pdbqt | data/1K/1KP3-CIR/1KP3-CIR_decoys.pdbqt | data/1K/1KP3-CIR/1KP3-CIR_decoy_scores.csv |
1KET-NAD | data/1K/1KET-NAD/1KET-NAD_ligand.pdbqt | data/1K/1KET-NAD/1KET-NAD_target.pdbqt | data/1K/1KET-NAD/1KET-NAD_decoys.pdbqt | data/1K/1KET-NAD/1KET-NAD_decoy_scores.csv |
1KVR-NAD | data/1K/1KVR-NAD/1KVR-NAD_ligand.pdbqt | data/1K/1KVR-NAD/1KVR-NAD_target.pdbqt | data/1K/1KVR-NAD/1KVR-NAD_decoys.pdbqt | data/1K/1KVR-NAD/1KVR-NAD_decoy_scores.csv |
1KE9-LS5 | data/1K/1KE9-LS5/1KE9-LS5_ligand.pdbqt | data/1K/1KE9-LS5/1KE9-LS5_target.pdbqt | data/1K/1KE9-LS5/1KE9-LS5_decoys.pdbqt | data/1K/1KE9-LS5/1KE9-LS5_decoy_scores.csv |
1KG9-LI1 | data/1K/1KG9-LI1/1KG9-LI1_ligand.pdbqt | data/1K/1KG9-LI1/1KG9-LI1_target.pdbqt | data/1K/1KG9-LI1/1KG9-LI1_decoys.pdbqt | data/1K/1KG9-LI1/1KG9-LI1_decoy_scores.csv |
1K4W-STE | data/1K/1K4W-STE/1K4W-STE_ligand.pdbqt | data/1K/1K4W-STE/1K4W-STE_target.pdbqt | data/1K/1K4W-STE/1K4W-STE_decoys.pdbqt | data/1K/1K4W-STE/1K4W-STE_decoy_scores.csv |
1KZL-CRM | data/1K/1KZL-CRM/1KZL-CRM_ligand.pdbqt | data/1K/1KZL-CRM/1KZL-CRM_target.pdbqt | data/1K/1KZL-CRM/1KZL-CRM_decoys.pdbqt | data/1K/1KZL-CRM/1KZL-CRM_decoy_scores.csv |
1KZI-THG | data/1K/1KZI-THG/1KZI-THG_ligand.pdbqt | data/1K/1KZI-THG/1KZI-THG_target.pdbqt | data/1K/1KZI-THG/1KZI-THG_decoys.pdbqt | data/1K/1KZI-THG/1KZI-THG_decoy_scores.csv |
1K8Y-13P | data/1K/1K8Y-13P/1K8Y-13P_ligand.pdbqt | data/1K/1K8Y-13P/1K8Y-13P_target.pdbqt | data/1K/1K8Y-13P/1K8Y-13P_decoys.pdbqt | data/1K/1K8Y-13P/1K8Y-13P_decoy_scores.csv |
1KYZ-FER | data/1K/1KYZ-FER/1KYZ-FER_ligand.pdbqt | data/1K/1KYZ-FER/1KYZ-FER_target.pdbqt | data/1K/1KYZ-FER/1KYZ-FER_decoys.pdbqt | data/1K/1KYZ-FER/1KYZ-FER_decoy_scores.csv |
1KET-TYD | data/1K/1KET-TYD/1KET-TYD_ligand.pdbqt | data/1K/1KET-TYD/1KET-TYD_target.pdbqt | data/1K/1KET-TYD/1KET-TYD_decoys.pdbqt | data/1K/1KET-TYD/1KET-TYD_decoy_scores.csv |
1K4C-DGA | data/1K/1K4C-DGA/1K4C-DGA_ligand.pdbqt | data/1K/1K4C-DGA/1K4C-DGA_target.pdbqt | data/1K/1K4C-DGA/1K4C-DGA_decoys.pdbqt | data/1K/1K4C-DGA/1K4C-DGA_decoy_scores.csv |
1KDR-CAR | data/1K/1KDR-CAR/1KDR-CAR_ligand.pdbqt | data/1K/1KDR-CAR/1KDR-CAR_target.pdbqt | data/1K/1KDR-CAR/1KDR-CAR_decoys.pdbqt | data/1K/1KDR-CAR/1KDR-CAR_decoy_scores.csv |
1KEI-LYS | data/1K/1KEI-LYS/1KEI-LYS_ligand.pdbqt | data/1K/1KEI-LYS/1KEI-LYS_target.pdbqt | data/1K/1KEI-LYS/1KEI-LYS_decoys.pdbqt | data/1K/1KEI-LYS/1KEI-LYS_decoy_scores.csv |
1KLY-UP6 | data/1K/1KLY-UP6/1KLY-UP6_ligand.pdbqt | data/1K/1KLY-UP6/1KLY-UP6_target.pdbqt | data/1K/1KLY-UP6/1KLY-UP6_decoys.pdbqt | data/1K/1KLY-UP6/1KLY-UP6_decoy_scores.csv |
1KY3-GDP | data/1K/1KY3-GDP/1KY3-GDP_ligand.pdbqt | data/1K/1KY3-GDP/1KY3-GDP_target.pdbqt | data/1K/1KY3-GDP/1KY3-GDP_decoys.pdbqt | data/1K/1KY3-GDP/1KY3-GDP_decoy_scores.csv |
1KVL-THN | data/1K/1KVL-THN/1KVL-THN_ligand.pdbqt | data/1K/1KVL-THN/1KVL-THN_target.pdbqt | data/1K/1KVL-THN/1KVL-THN_decoys.pdbqt | data/1K/1KVL-THN/1KVL-THN_decoy_scores.csv |
1K7E-IAG | data/1K/1K7E-IAG/1K7E-IAG_ligand.pdbqt | data/1K/1K7E-IAG/1K7E-IAG_target.pdbqt | data/1K/1K7E-IAG/1K7E-IAG_decoys.pdbqt | data/1K/1K7E-IAG/1K7E-IAG_decoy_scores.csv |
1K1M-FD4 | data/1K/1K1M-FD4/1K1M-FD4_ligand.pdbqt | data/1K/1K1M-FD4/1K1M-FD4_target.pdbqt | data/1K/1K1M-FD4/1K1M-FD4_decoys.pdbqt | data/1K/1K1M-FD4/1K1M-FD4_decoy_scores.csv |
1KVT-UPG | data/1K/1KVT-UPG/1KVT-UPG_ligand.pdbqt | data/1K/1KVT-UPG/1KVT-UPG_target.pdbqt | data/1K/1KVT-UPG/1KVT-UPG_decoys.pdbqt | data/1K/1KVT-UPG/1KVT-UPG_decoy_scores.csv |
1KI2-GA2 | data/1K/1KI2-GA2/1KI2-GA2_ligand.pdbqt | data/1K/1KI2-GA2/1KI2-GA2_target.pdbqt | data/1K/1KI2-GA2/1KI2-GA2_decoys.pdbqt | data/1K/1KI2-GA2/1KI2-GA2_decoy_scores.csv |
1K2T-PTU | data/1K/1K2T-PTU/1K2T-PTU_ligand.pdbqt | data/1K/1K2T-PTU/1K2T-PTU_target.pdbqt | data/1K/1K2T-PTU/1K2T-PTU_decoys.pdbqt | data/1K/1K2T-PTU/1K2T-PTU_decoy_scores.csv |
1KGT-PML | data/1K/1KGT-PML/1KGT-PML_ligand.pdbqt | data/1K/1KGT-PML/1KGT-PML_target.pdbqt | data/1K/1KGT-PML/1KGT-PML_decoys.pdbqt | data/1K/1KGT-PML/1KGT-PML_decoy_scores.csv |
1KPH-10A | data/1K/1KPH-10A/1KPH-10A_ligand.pdbqt | data/1K/1KPH-10A/1KPH-10A_target.pdbqt | data/1K/1KPH-10A/1KPH-10A_decoys.pdbqt | data/1K/1KPH-10A/1KPH-10A_decoy_scores.csv |
1KZO-FPP | data/1K/1KZO-FPP/1KZO-FPP_ligand.pdbqt | data/1K/1KZO-FPP/1KZO-FPP_target.pdbqt | data/1K/1KZO-FPP/1KZO-FPP_decoys.pdbqt | data/1K/1KZO-FPP/1KZO-FPP_decoy_scores.csv |
1K2T-H4B | data/1K/1K2T-H4B/1K2T-H4B_ligand.pdbqt | data/1K/1K2T-H4B/1K2T-H4B_target.pdbqt | data/1K/1K2T-H4B/1K2T-H4B_decoys.pdbqt | data/1K/1K2T-H4B/1K2T-H4B_decoy_scores.csv |
1KZP-FAR | data/1K/1KZP-FAR/1KZP-FAR_ligand.pdbqt | data/1K/1KZP-FAR/1KZP-FAR_target.pdbqt | data/1K/1KZP-FAR/1KZP-FAR_decoys.pdbqt | data/1K/1KZP-FAR/1KZP-FAR_decoy_scores.csv |
1KEC-GRO | data/1K/1KEC-GRO/1KEC-GRO_ligand.pdbqt | data/1K/1KEC-GRO/1KEC-GRO_target.pdbqt | data/1K/1KEC-GRO/1KEC-GRO_decoys.pdbqt | data/1K/1KEC-GRO/1KEC-GRO_decoy_scores.csv |
1KKR-2AS | data/1K/1KKR-2AS/1KKR-2AS_ligand.pdbqt | data/1K/1KKR-2AS/1KKR-2AS_target.pdbqt | data/1K/1KKR-2AS/1KKR-2AS_decoys.pdbqt | data/1K/1KKR-2AS/1KKR-2AS_decoy_scores.csv |
1KQD-FMN | data/1K/1KQD-FMN/1KQD-FMN_ligand.pdbqt | data/1K/1KQD-FMN/1KQD-FMN_target.pdbqt | data/1K/1KQD-FMN/1KQD-FMN_decoys.pdbqt | data/1K/1KQD-FMN/1KQD-FMN_decoy_scores.csv |
1K3I-GLC | data/1K/1K3I-GLC/1K3I-GLC_ligand.pdbqt | data/1K/1K3I-GLC/1K3I-GLC_target.pdbqt | data/1K/1K3I-GLC/1K3I-GLC_decoys.pdbqt | data/1K/1K3I-GLC/1K3I-GLC_decoy_scores.csv |
1KTA-PMP | data/1K/1KTA-PMP/1KTA-PMP_ligand.pdbqt | data/1K/1KTA-PMP/1KTA-PMP_target.pdbqt | data/1K/1KTA-PMP/1KTA-PMP_decoys.pdbqt | data/1K/1KTA-PMP/1KTA-PMP_decoy_scores.csv |
1KZ8-F6P | data/1K/1KZ8-F6P/1KZ8-F6P_ligand.pdbqt | data/1K/1KZ8-F6P/1KZ8-F6P_target.pdbqt | data/1K/1KZ8-F6P/1KZ8-F6P_decoys.pdbqt | data/1K/1KZ8-F6P/1KZ8-F6P_decoy_scores.csv |
1KEU-DAU | data/1K/1KEU-DAU/1KEU-DAU_ligand.pdbqt | data/1K/1KEU-DAU/1KEU-DAU_target.pdbqt | data/1K/1KEU-DAU/1KEU-DAU_decoys.pdbqt | data/1K/1KEU-DAU/1KEU-DAU_decoy_scores.csv |
1KO8-6PG | data/1K/1KO8-6PG/1KO8-6PG_ligand.pdbqt | data/1K/1KO8-6PG/1KO8-6PG_target.pdbqt | data/1K/1KO8-6PG/1KO8-6PG_decoys.pdbqt | data/1K/1KO8-6PG/1KO8-6PG_decoy_scores.csv |
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