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 ⌀ |
|---|---|---|---|---|
7DNC-FHR | data/7D/7DNC-FHR/7DNC-FHR_ligand.pdbqt | data/7D/7DNC-FHR/7DNC-FHR_target.pdbqt | data/7D/7DNC-FHR/7DNC-FHR_decoys.pdbqt | data/7D/7DNC-FHR/7DNC-FHR_decoy_scores.csv |
7DBC-H1C | data/7D/7DBC-H1C/7DBC-H1C_ligand.pdbqt | data/7D/7DBC-H1C/7DBC-H1C_target.pdbqt | data/7D/7DBC-H1C/7DBC-H1C_decoys.pdbqt | data/7D/7DBC-H1C/7DBC-H1C_decoy_scores.csv |
7DBL-MOA | data/7D/7DBL-MOA/7DBL-MOA_ligand.pdbqt | data/7D/7DBL-MOA/7DBL-MOA_target.pdbqt | data/7D/7DBL-MOA/7DBL-MOA_decoys.pdbqt | data/7D/7DBL-MOA/7DBL-MOA_decoy_scores.csv |
7DOR-NPO | data/7D/7DOR-NPO/7DOR-NPO_ligand.pdbqt | data/7D/7DOR-NPO/7DOR-NPO_target.pdbqt | data/7D/7DOR-NPO/7DOR-NPO_decoys.pdbqt | data/7D/7DOR-NPO/7DOR-NPO_decoy_scores.csv |
7DQV-ANP | data/7D/7DQV-ANP/7DQV-ANP_ligand.pdbqt | data/7D/7DQV-ANP/7DQV-ANP_target.pdbqt | data/7D/7DQV-ANP/7DQV-ANP_decoys.pdbqt | data/7D/7DQV-ANP/7DQV-ANP_decoy_scores.csv |
7DCF-SAM | data/7D/7DCF-SAM/7DCF-SAM_ligand.pdbqt | data/7D/7DCF-SAM/7DCF-SAM_target.pdbqt | data/7D/7DCF-SAM/7DCF-SAM_decoys.pdbqt | data/7D/7DCF-SAM/7DCF-SAM_decoy_scores.csv |
7DVB-Q4Z | data/7D/7DVB-Q4Z/7DVB-Q4Z_ligand.pdbqt | data/7D/7DVB-Q4Z/7DVB-Q4Z_target.pdbqt | data/7D/7DVB-Q4Z/7DVB-Q4Z_decoys.pdbqt | data/7D/7DVB-Q4Z/7DVB-Q4Z_decoy_scores.csv |
7DB2-DC1 | data/7D/7DB2-DC1/7DB2-DC1_ligand.pdbqt | data/7D/7DB2-DC1/7DB2-DC1_target.pdbqt | data/7D/7DB2-DC1/7DB2-DC1_decoys.pdbqt | data/7D/7DB2-DC1/7DB2-DC1_decoy_scores.csv |
7DCB-NOS | data/7D/7DCB-NOS/7DCB-NOS_ligand.pdbqt | data/7D/7DCB-NOS/7DCB-NOS_target.pdbqt | data/7D/7DCB-NOS/7DCB-NOS_decoys.pdbqt | data/7D/7DCB-NOS/7DCB-NOS_decoy_scores.csv |
7DOW-HD3 | data/7D/7DOW-HD3/7DOW-HD3_ligand.pdbqt | data/7D/7DOW-HD3/7DOW-HD3_target.pdbqt | data/7D/7DOW-HD3/7DOW-HD3_decoys.pdbqt | data/7D/7DOW-HD3/7DOW-HD3_decoy_scores.csv |
7DPR-HE9 | data/7D/7DPR-HE9/7DPR-HE9_ligand.pdbqt | data/7D/7DPR-HE9/7DPR-HE9_target.pdbqt | data/7D/7DPR-HE9/7DPR-HE9_decoys.pdbqt | data/7D/7DPR-HE9/7DPR-HE9_decoy_scores.csv |
7DAL-SRO | data/7D/7DAL-SRO/7DAL-SRO_ligand.pdbqt | data/7D/7DAL-SRO/7DAL-SRO_target.pdbqt | data/7D/7DAL-SRO/7DAL-SRO_decoys.pdbqt | data/7D/7DAL-SRO/7DAL-SRO_decoy_scores.csv |
7DQI-AX7 | data/7D/7DQI-AX7/7DQI-AX7_ligand.pdbqt | data/7D/7DQI-AX7/7DQI-AX7_target.pdbqt | data/7D/7DQI-AX7/7DQI-AX7_decoys.pdbqt | data/7D/7DQI-AX7/7DQI-AX7_decoy_scores.csv |
7DBC-ACP | data/7D/7DBC-ACP/7DBC-ACP_ligand.pdbqt | data/7D/7DBC-ACP/7DBC-ACP_target.pdbqt | data/7D/7DBC-ACP/7DBC-ACP_decoys.pdbqt | data/7D/7DBC-ACP/7DBC-ACP_decoy_scores.csv |
7DQM-AX7 | data/7D/7DQM-AX7/7DQM-AX7_ligand.pdbqt | data/7D/7DQM-AX7/7DQM-AX7_target.pdbqt | data/7D/7DQM-AX7/7DQM-AX7_decoys.pdbqt | data/7D/7DQM-AX7/7DQM-AX7_decoy_scores.csv |
7D4E-LYS | data/7D/7D4E-LYS/7D4E-LYS_ligand.pdbqt | data/7D/7D4E-LYS/7D4E-LYS_target.pdbqt | data/7D/7D4E-LYS/7D4E-LYS_decoys.pdbqt | data/7D/7D4E-LYS/7D4E-LYS_decoy_scores.csv |
1KER-NAD | data/1K/1KER-NAD/1KER-NAD_ligand.pdbqt | data/1K/1KER-NAD/1KER-NAD_target.pdbqt | data/1K/1KER-NAD/1KER-NAD_decoys.pdbqt | data/1K/1KER-NAD/1KER-NAD_decoy_scores.csv |
1K4D-F09 | data/1K/1K4D-F09/1K4D-F09_ligand.pdbqt | data/1K/1K4D-F09/1K4D-F09_target.pdbqt | data/1K/1K4D-F09/1K4D-F09_decoys.pdbqt | data/1K/1K4D-F09/1K4D-F09_decoy_scores.csv |
1KO5-ATP | data/1K/1KO5-ATP/1KO5-ATP_ligand.pdbqt | data/1K/1KO5-ATP/1KO5-ATP_target.pdbqt | data/1K/1KO5-ATP/1KO5-ATP_decoys.pdbqt | data/1K/1KO5-ATP/1KO5-ATP_decoy_scores.csv |
1KRO-PHQ | data/1K/1KRO-PHQ/1KRO-PHQ_ligand.pdbqt | data/1K/1KRO-PHQ/1KRO-PHQ_target.pdbqt | data/1K/1KRO-PHQ/1KRO-PHQ_decoys.pdbqt | data/1K/1KRO-PHQ/1KRO-PHQ_decoy_scores.csv |
1K7L-544 | data/1K/1K7L-544/1K7L-544_ligand.pdbqt | data/1K/1K7L-544/1K7L-544_target.pdbqt | data/1K/1K7L-544/1K7L-544_decoys.pdbqt | data/1K/1K7L-544/1K7L-544_decoy_scores.csv |
1K4H-APQ | data/1K/1K4H-APQ/1K4H-APQ_ligand.pdbqt | data/1K/1K4H-APQ/1K4H-APQ_target.pdbqt | data/1K/1K4H-APQ/1K4H-APQ_decoys.pdbqt | data/1K/1K4H-APQ/1K4H-APQ_decoy_scores.csv |
1KDN-ADP | data/1K/1KDN-ADP/1KDN-ADP_ligand.pdbqt | data/1K/1KDN-ADP/1KDN-ADP_target.pdbqt | null | null |
1KEK-HTL | data/1K/1KEK-HTL/1KEK-HTL_ligand.pdbqt | data/1K/1KEK-HTL/1KEK-HTL_target.pdbqt | data/1K/1KEK-HTL/1KEK-HTL_decoys.pdbqt | data/1K/1KEK-HTL/1KEK-HTL_decoy_scores.csv |
1KNY-KAN | data/1K/1KNY-KAN/1KNY-KAN_ligand.pdbqt | data/1K/1KNY-KAN/1KNY-KAN_target.pdbqt | data/1K/1KNY-KAN/1KNY-KAN_decoys.pdbqt | data/1K/1KNY-KAN/1KNY-KAN_decoy_scores.csv |
1K0Y-CNO | data/1K/1K0Y-CNO/1K0Y-CNO_ligand.pdbqt | data/1K/1K0Y-CNO/1K0Y-CNO_target.pdbqt | data/1K/1K0Y-CNO/1K0Y-CNO_decoys.pdbqt | data/1K/1K0Y-CNO/1K0Y-CNO_decoy_scores.csv |
1KY2-GNP | data/1K/1KY2-GNP/1KY2-GNP_ligand.pdbqt | data/1K/1KY2-GNP/1KY2-GNP_target.pdbqt | data/1K/1KY2-GNP/1KY2-GNP_decoys.pdbqt | data/1K/1KY2-GNP/1KY2-GNP_decoy_scores.csv |
1KVQ-NAD | data/1K/1KVQ-NAD/1KVQ-NAD_ligand.pdbqt | data/1K/1KVQ-NAD/1KVQ-NAD_target.pdbqt | data/1K/1KVQ-NAD/1KVQ-NAD_decoys.pdbqt | data/1K/1KVQ-NAD/1KVQ-NAD_decoy_scores.csv |
1KR6-PHQ | data/1K/1KR6-PHQ/1KR6-PHQ_ligand.pdbqt | data/1K/1KR6-PHQ/1KR6-PHQ_target.pdbqt | data/1K/1KR6-PHQ/1KR6-PHQ_decoys.pdbqt | data/1K/1KR6-PHQ/1KR6-PHQ_decoy_scores.csv |
1KGB-RET | data/1K/1KGB-RET/1KGB-RET_ligand.pdbqt | data/1K/1KGB-RET/1KGB-RET_target.pdbqt | data/1K/1KGB-RET/1KGB-RET_decoys.pdbqt | data/1K/1KGB-RET/1KGB-RET_decoy_scores.csv |
1KM1-UP6 | data/1K/1KM1-UP6/1KM1-UP6_ligand.pdbqt | data/1K/1KM1-UP6/1KM1-UP6_target.pdbqt | data/1K/1KM1-UP6/1KM1-UP6_decoys.pdbqt | data/1K/1KM1-UP6/1KM1-UP6_decoy_scores.csv |
1KR3-113 | data/1K/1KR3-113/1KR3-113_ligand.pdbqt | data/1K/1KR3-113/1KR3-113_target.pdbqt | data/1K/1KR3-113/1KR3-113_decoys.pdbqt | data/1K/1KR3-113/1KR3-113_decoy_scores.csv |
1KVK-ATP | data/1K/1KVK-ATP/1KVK-ATP_ligand.pdbqt | data/1K/1KVK-ATP/1KVK-ATP_target.pdbqt | data/1K/1KVK-ATP/1KVK-ATP_decoys.pdbqt | data/1K/1KVK-ATP/1KVK-ATP_decoy_scores.csv |
1KLI-BEN | data/1K/1KLI-BEN/1KLI-BEN_ligand.pdbqt | data/1K/1KLI-BEN/1KLI-BEN_target.pdbqt | data/1K/1KLI-BEN/1KLI-BEN_decoys.pdbqt | data/1K/1KLI-BEN/1KLI-BEN_decoy_scores.csv |
1KPF-AMP | data/1K/1KPF-AMP/1KPF-AMP_ligand.pdbqt | data/1K/1KPF-AMP/1KPF-AMP_target.pdbqt | data/1K/1KPF-AMP/1KPF-AMP_decoys.pdbqt | data/1K/1KPF-AMP/1KPF-AMP_decoy_scores.csv |
1KAY-ATP | data/1K/1KAY-ATP/1KAY-ATP_ligand.pdbqt | data/1K/1KAY-ATP/1KAY-ATP_target.pdbqt | data/1K/1KAY-ATP/1KAY-ATP_decoys.pdbqt | data/1K/1KAY-ATP/1KAY-ATP_decoy_scores.csv |
1K9S-FM2 | data/1K/1K9S-FM2/1K9S-FM2_ligand.pdbqt | data/1K/1K9S-FM2/1K9S-FM2_target.pdbqt | data/1K/1K9S-FM2/1K9S-FM2_decoys.pdbqt | data/1K/1K9S-FM2/1K9S-FM2_decoy_scores.csv |
1KEW-NAD | data/1K/1KEW-NAD/1KEW-NAD_ligand.pdbqt | data/1K/1KEW-NAD/1KEW-NAD_target.pdbqt | data/1K/1KEW-NAD/1KEW-NAD_decoys.pdbqt | data/1K/1KEW-NAD/1KEW-NAD_decoy_scores.csv |
1KM6-OMP | data/1K/1KM6-OMP/1KM6-OMP_ligand.pdbqt | data/1K/1KM6-OMP/1KM6-OMP_target.pdbqt | data/1K/1KM6-OMP/1KM6-OMP_decoys.pdbqt | data/1K/1KM6-OMP/1KM6-OMP_decoy_scores.csv |
1KVU-NAD | data/1K/1KVU-NAD/1KVU-NAD_ligand.pdbqt | data/1K/1KVU-NAD/1KVU-NAD_target.pdbqt | data/1K/1KVU-NAD/1KVU-NAD_decoys.pdbqt | data/1K/1KVU-NAD/1KVU-NAD_decoy_scores.csv |
1K4V-UDP | data/1K/1K4V-UDP/1K4V-UDP_ligand.pdbqt | data/1K/1K4V-UDP/1K4V-UDP_target.pdbqt | data/1K/1K4V-UDP/1K4V-UDP_decoys.pdbqt | data/1K/1K4V-UDP/1K4V-UDP_decoy_scores.csv |
1KME-RET | data/1K/1KME-RET/1KME-RET_ligand.pdbqt | data/1K/1KME-RET/1KME-RET_target.pdbqt | data/1K/1KME-RET/1KME-RET_decoys.pdbqt | data/1K/1KME-RET/1KME-RET_decoy_scores.csv |
1K7W-AS1 | data/1K/1K7W-AS1/1K7W-AS1_ligand.pdbqt | data/1K/1K7W-AS1/1K7W-AS1_target.pdbqt | data/1K/1K7W-AS1/1K7W-AS1_decoys.pdbqt | data/1K/1K7W-AS1/1K7W-AS1_decoy_scores.csv |
1KHH-SAH | data/1K/1KHH-SAH/1KHH-SAH_ligand.pdbqt | data/1K/1KHH-SAH/1KHH-SAH_target.pdbqt | data/1K/1KHH-SAH/1KHH-SAH_decoys.pdbqt | data/1K/1KHH-SAH/1KHH-SAH_decoy_scores.csv |
1KHE-GCP | data/1K/1KHE-GCP/1KHE-GCP_ligand.pdbqt | data/1K/1KHE-GCP/1KHE-GCP_target.pdbqt | data/1K/1KHE-GCP/1KHE-GCP_decoys.pdbqt | data/1K/1KHE-GCP/1KHE-GCP_decoy_scores.csv |
1K08-BZD | data/1K/1K08-BZD/1K08-BZD_ligand.pdbqt | data/1K/1K08-BZD/1K08-BZD_target.pdbqt | data/1K/1K08-BZD/1K08-BZD_decoys.pdbqt | data/1K/1K08-BZD/1K08-BZD_decoy_scores.csv |
1KMY-BPY | data/1K/1KMY-BPY/1KMY-BPY_ligand.pdbqt | data/1K/1KMY-BPY/1KMY-BPY_target.pdbqt | data/1K/1KMY-BPY/1KMY-BPY_decoys.pdbqt | data/1K/1KMY-BPY/1KMY-BPY_decoy_scores.csv |
1KMV-LII | data/1K/1KMV-LII/1KMV-LII_ligand.pdbqt | data/1K/1KMV-LII/1KMV-LII_target.pdbqt | data/1K/1KMV-LII/1KMV-LII_decoys.pdbqt | data/1K/1KMV-LII/1KMV-LII_decoy_scores.csv |
1K2I-SN1 | data/1K/1K2I-SN1/1K2I-SN1_ligand.pdbqt | data/1K/1K2I-SN1/1K2I-SN1_target.pdbqt | data/1K/1K2I-SN1/1K2I-SN1_decoys.pdbqt | data/1K/1K2I-SN1/1K2I-SN1_decoy_scores.csv |
1KE8-LS4 | data/1K/1KE8-LS4/1KE8-LS4_ligand.pdbqt | data/1K/1KE8-LS4/1KE8-LS4_target.pdbqt | data/1K/1KE8-LS4/1KE8-LS4_decoys.pdbqt | data/1K/1KE8-LS4/1KE8-LS4_decoy_scores.csv |
1KP3-ATP | data/1K/1KP3-ATP/1KP3-ATP_ligand.pdbqt | data/1K/1KP3-ATP/1KP3-ATP_target.pdbqt | data/1K/1KP3-ATP/1KP3-ATP_decoys.pdbqt | data/1K/1KP3-ATP/1KP3-ATP_decoy_scores.csv |
1KSH-GDP | data/1K/1KSH-GDP/1KSH-GDP_ligand.pdbqt | data/1K/1KSH-GDP/1KSH-GDP_target.pdbqt | data/1K/1KSH-GDP/1KSH-GDP_decoys.pdbqt | data/1K/1KSH-GDP/1KSH-GDP_decoy_scores.csv |
1KBI-FMN | data/1K/1KBI-FMN/1KBI-FMN_ligand.pdbqt | data/1K/1KBI-FMN/1KBI-FMN_target.pdbqt | data/1K/1KBI-FMN/1KBI-FMN_decoys.pdbqt | data/1K/1KBI-FMN/1KBI-FMN_decoy_scores.csv |
1KF0-3PG | data/1K/1KF0-3PG/1KF0-3PG_ligand.pdbqt | data/1K/1KF0-3PG/1KF0-3PG_target.pdbqt | data/1K/1KF0-3PG/1KF0-3PG_decoys.pdbqt | data/1K/1KF0-3PG/1KF0-3PG_decoy_scores.csv |
1KJJ-AGS | data/1K/1KJJ-AGS/1KJJ-AGS_ligand.pdbqt | data/1K/1KJJ-AGS/1KJJ-AGS_target.pdbqt | data/1K/1KJJ-AGS/1KJJ-AGS_decoys.pdbqt | data/1K/1KJJ-AGS/1KJJ-AGS_decoy_scores.csv |
1KH3-ARG | data/1K/1KH3-ARG/1KH3-ARG_ligand.pdbqt | data/1K/1KH3-ARG/1KH3-ARG_target.pdbqt | data/1K/1KH3-ARG/1KH3-ARG_decoys.pdbqt | data/1K/1KH3-ARG/1KH3-ARG_decoy_scores.csv |
1KTO-PHQ | data/1K/1KTO-PHQ/1KTO-PHQ_ligand.pdbqt | data/1K/1KTO-PHQ/1KTO-PHQ_target.pdbqt | data/1K/1KTO-PHQ/1KTO-PHQ_decoys.pdbqt | data/1K/1KTO-PHQ/1KTO-PHQ_decoy_scores.csv |
1KNY-APC | data/1K/1KNY-APC/1KNY-APC_ligand.pdbqt | data/1K/1KNY-APC/1KNY-APC_target.pdbqt | data/1K/1KNY-APC/1KNY-APC_decoys.pdbqt | data/1K/1KNY-APC/1KNY-APC_decoy_scores.csv |
1KR2-TAD | data/1K/1KR2-TAD/1KR2-TAD_ligand.pdbqt | data/1K/1KR2-TAD/1KR2-TAD_target.pdbqt | data/1K/1KR2-TAD/1KR2-TAD_decoys.pdbqt | data/1K/1KR2-TAD/1KR2-TAD_decoy_scores.csv |
1KAO-GDP | data/1K/1KAO-GDP/1KAO-GDP_ligand.pdbqt | data/1K/1KAO-GDP/1KAO-GDP_target.pdbqt | data/1K/1KAO-GDP/1KAO-GDP_decoys.pdbqt | data/1K/1KAO-GDP/1KAO-GDP_decoy_scores.csv |
1KI7-ID2 | data/1K/1KI7-ID2/1KI7-ID2_ligand.pdbqt | data/1K/1KI7-ID2/1KI7-ID2_target.pdbqt | data/1K/1KI7-ID2/1KI7-ID2_decoys.pdbqt | data/1K/1KI7-ID2/1KI7-ID2_decoy_scores.csv |
1KCC-GTR | data/1K/1KCC-GTR/1KCC-GTR_ligand.pdbqt | data/1K/1KCC-GTR/1KCC-GTR_target.pdbqt | data/1K/1KCC-GTR/1KCC-GTR_decoys.pdbqt | data/1K/1KCC-GTR/1KCC-GTR_decoy_scores.csv |
1KT5-RTL | data/1K/1KT5-RTL/1KT5-RTL_ligand.pdbqt | data/1K/1KT5-RTL/1KT5-RTL_target.pdbqt | data/1K/1KT5-RTL/1KT5-RTL_decoys.pdbqt | data/1K/1KT5-RTL/1KT5-RTL_decoy_scores.csv |
1KT8-ILP | data/1K/1KT8-ILP/1KT8-ILP_ligand.pdbqt | data/1K/1KT8-ILP/1KT8-ILP_target.pdbqt | data/1K/1KT8-ILP/1KT8-ILP_decoys.pdbqt | data/1K/1KT8-ILP/1KT8-ILP_decoy_scores.csv |
1KOU-DHC | data/1K/1KOU-DHC/1KOU-DHC_ligand.pdbqt | data/1K/1KOU-DHC/1KOU-DHC_target.pdbqt | data/1K/1KOU-DHC/1KOU-DHC_decoys.pdbqt | data/1K/1KOU-DHC/1KOU-DHC_decoy_scores.csv |
1KN2-PNE | data/1K/1KN2-PNE/1KN2-PNE_ligand.pdbqt | data/1K/1KN2-PNE/1KN2-PNE_target.pdbqt | data/1K/1KN2-PNE/1KN2-PNE_decoys.pdbqt | data/1K/1KN2-PNE/1KN2-PNE_decoy_scores.csv |
1KQB-FMN | data/1K/1KQB-FMN/1KQB-FMN_ligand.pdbqt | data/1K/1KQB-FMN/1KQB-FMN_target.pdbqt | data/1K/1KQB-FMN/1KQB-FMN_decoys.pdbqt | data/1K/1KQB-FMN/1KQB-FMN_decoy_scores.csv |
1K1I-FD1 | data/1K/1K1I-FD1/1K1I-FD1_ligand.pdbqt | data/1K/1K1I-FD1/1K1I-FD1_target.pdbqt | data/1K/1K1I-FD1/1K1I-FD1_decoys.pdbqt | data/1K/1K1I-FD1/1K1I-FD1_decoy_scores.csv |
1KEU-NAD | data/1K/1KEU-NAD/1KEU-NAD_ligand.pdbqt | data/1K/1KEU-NAD/1KEU-NAD_target.pdbqt | data/1K/1KEU-NAD/1KEU-NAD_decoys.pdbqt | data/1K/1KEU-NAD/1KEU-NAD_decoy_scores.csv |
1KM0-UP6 | data/1K/1KM0-UP6/1KM0-UP6_ligand.pdbqt | data/1K/1KM0-UP6/1KM0-UP6_target.pdbqt | data/1K/1KM0-UP6/1KM0-UP6_decoys.pdbqt | data/1K/1KM0-UP6/1KM0-UP6_decoy_scores.csv |
1KYZ-SAH | data/1K/1KYZ-SAH/1KYZ-SAH_ligand.pdbqt | data/1K/1KYZ-SAH/1KYZ-SAH_target.pdbqt | data/1K/1KYZ-SAH/1KYZ-SAH_decoys.pdbqt | data/1K/1KYZ-SAH/1KYZ-SAH_decoy_scores.csv |
1K5Q-PAC | data/1K/1K5Q-PAC/1K5Q-PAC_ligand.pdbqt | data/1K/1K5Q-PAC/1K5Q-PAC_target.pdbqt | data/1K/1K5Q-PAC/1K5Q-PAC_decoys.pdbqt | data/1K/1K5Q-PAC/1K5Q-PAC_decoy_scores.csv |
1K5S-GRO | data/1K/1K5S-GRO/1K5S-GRO_ligand.pdbqt | data/1K/1K5S-GRO/1K5S-GRO_target.pdbqt | data/1K/1K5S-GRO/1K5S-GRO_decoys.pdbqt | data/1K/1K5S-GRO/1K5S-GRO_decoy_scores.csv |
1KZ8-PFE | data/1K/1KZ8-PFE/1KZ8-PFE_ligand.pdbqt | data/1K/1KZ8-PFE/1KZ8-PFE_target.pdbqt | data/1K/1KZ8-PFE/1KZ8-PFE_decoys.pdbqt | data/1K/1KZ8-PFE/1KZ8-PFE_decoy_scores.csv |
1K2R-H4B | data/1K/1K2R-H4B/1K2R-H4B_ligand.pdbqt | data/1K/1K2R-H4B/1K2R-H4B_target.pdbqt | data/1K/1K2R-H4B/1K2R-H4B_decoys.pdbqt | data/1K/1K2R-H4B/1K2R-H4B_decoy_scores.csv |
1K1P-MEL | data/1K/1K1P-MEL/1K1P-MEL_ligand.pdbqt | data/1K/1K1P-MEL/1K1P-MEL_target.pdbqt | data/1K/1K1P-MEL/1K1P-MEL_decoys.pdbqt | data/1K/1K1P-MEL/1K1P-MEL_decoy_scores.csv |
1KZK-JE2 | data/1K/1KZK-JE2/1KZK-JE2_ligand.pdbqt | data/1K/1KZK-JE2/1KZK-JE2_target.pdbqt | data/1K/1KZK-JE2/1KZK-JE2_decoys.pdbqt | data/1K/1KZK-JE2/1KZK-JE2_decoy_scores.csv |
1K4G-AIQ | data/1K/1K4G-AIQ/1K4G-AIQ_ligand.pdbqt | data/1K/1K4G-AIQ/1K4G-AIQ_target.pdbqt | data/1K/1K4G-AIQ/1K4G-AIQ_decoys.pdbqt | data/1K/1K4G-AIQ/1K4G-AIQ_decoy_scores.csv |
1KJ8-ATP | data/1K/1KJ8-ATP/1KJ8-ATP_ligand.pdbqt | data/1K/1KJ8-ATP/1KJ8-ATP_target.pdbqt | data/1K/1KJ8-ATP/1KJ8-ATP_decoys.pdbqt | data/1K/1KJ8-ATP/1KJ8-ATP_decoy_scores.csv |
1KT6-RTL | data/1K/1KT6-RTL/1KT6-RTL_ligand.pdbqt | data/1K/1KT6-RTL/1KT6-RTL_target.pdbqt | data/1K/1KT6-RTL/1KT6-RTL_decoys.pdbqt | data/1K/1KT6-RTL/1KT6-RTL_decoy_scores.csv |
1KR5-SAH | data/1K/1KR5-SAH/1KR5-SAH_ligand.pdbqt | data/1K/1KR5-SAH/1KR5-SAH_target.pdbqt | data/1K/1KR5-SAH/1KR5-SAH_decoys.pdbqt | data/1K/1KR5-SAH/1KR5-SAH_decoy_scores.csv |
1KN4-PDE | data/1K/1KN4-PDE/1KN4-PDE_ligand.pdbqt | data/1K/1KN4-PDE/1KN4-PDE_target.pdbqt | data/1K/1KN4-PDE/1KN4-PDE_decoys.pdbqt | data/1K/1KN4-PDE/1KN4-PDE_decoy_scores.csv |
1KKK-PHQ | data/1K/1KKK-PHQ/1KKK-PHQ_ligand.pdbqt | data/1K/1KKK-PHQ/1KKK-PHQ_target.pdbqt | data/1K/1KKK-PHQ/1KKK-PHQ_decoys.pdbqt | data/1K/1KKK-PHQ/1KKK-PHQ_decoy_scores.csv |
1KB9-PEF | data/1K/1KB9-PEF/1KB9-PEF_ligand.pdbqt | data/1K/1KB9-PEF/1KB9-PEF_target.pdbqt | data/1K/1KB9-PEF/1KB9-PEF_decoys.pdbqt | data/1K/1KB9-PEF/1KB9-PEF_decoy_scores.csv |
1KVS-NAD | data/1K/1KVS-NAD/1KVS-NAD_ligand.pdbqt | data/1K/1KVS-NAD/1KVS-NAD_target.pdbqt | data/1K/1KVS-NAD/1KVS-NAD_decoys.pdbqt | data/1K/1KVS-NAD/1KVS-NAD_decoy_scores.csv |
1KYQ-NAD | data/1K/1KYQ-NAD/1KYQ-NAD_ligand.pdbqt | data/1K/1KYQ-NAD/1KYQ-NAD_target.pdbqt | data/1K/1KYQ-NAD/1KYQ-NAD_decoys.pdbqt | data/1K/1KYQ-NAD/1KYQ-NAD_decoy_scores.csv |
1KA1-A3P | data/1K/1KA1-A3P/1KA1-A3P_ligand.pdbqt | data/1K/1KA1-A3P/1KA1-A3P_target.pdbqt | data/1K/1KA1-A3P/1KA1-A3P_decoys.pdbqt | data/1K/1KA1-A3P/1KA1-A3P_decoy_scores.csv |
1KVL-CLS | data/1K/1KVL-CLS/1KVL-CLS_ligand.pdbqt | data/1K/1KVL-CLS/1KVL-CLS_target.pdbqt | data/1K/1KVL-CLS/1KVL-CLS_decoys.pdbqt | data/1K/1KVL-CLS/1KVL-CLS_decoy_scores.csv |
1KI6-AHU | data/1K/1KI6-AHU/1KI6-AHU_ligand.pdbqt | data/1K/1KI6-AHU/1KI6-AHU_target.pdbqt | data/1K/1KI6-AHU/1KI6-AHU_decoys.pdbqt | data/1K/1KI6-AHU/1KI6-AHU_decoy_scores.csv |
1KOJ-PAN | data/1K/1KOJ-PAN/1KOJ-PAN_ligand.pdbqt | data/1K/1KOJ-PAN/1KOJ-PAN_target.pdbqt | data/1K/1KOJ-PAN/1KOJ-PAN_decoys.pdbqt | data/1K/1KOJ-PAN/1KOJ-PAN_decoy_scores.csv |
1K74-544 | data/1K/1K74-544/1K74-544_ligand.pdbqt | data/1K/1K74-544/1K74-544_target.pdbqt | data/1K/1K74-544/1K74-544_decoys.pdbqt | data/1K/1K74-544/1K74-544_decoy_scores.csv |
1K7F-IAV | data/1K/1K7F-IAV/1K7F-IAV_ligand.pdbqt | data/1K/1K7F-IAV/1K7F-IAV_target.pdbqt | data/1K/1K7F-IAV/1K7F-IAV_decoys.pdbqt | data/1K/1K7F-IAV/1K7F-IAV_decoy_scores.csv |
1KJQ-ADP | data/1K/1KJQ-ADP/1KJQ-ADP_ligand.pdbqt | data/1K/1KJQ-ADP/1KJQ-ADP_target.pdbqt | data/1K/1KJQ-ADP/1KJQ-ADP_decoys.pdbqt | data/1K/1KJQ-ADP/1KJQ-ADP_decoy_scores.csv |
1KBY-SPO | data/1K/1KBY-SPO/1KBY-SPO_ligand.pdbqt | data/1K/1KBY-SPO/1KBY-SPO_target.pdbqt | data/1K/1KBY-SPO/1KBY-SPO_decoys.pdbqt | data/1K/1KBY-SPO/1KBY-SPO_decoy_scores.csv |
1KAE-NAD | data/1K/1KAE-NAD/1KAE-NAD_ligand.pdbqt | data/1K/1KAE-NAD/1KAE-NAD_target.pdbqt | data/1K/1KAE-NAD/1KAE-NAD_decoys.pdbqt | data/1K/1KAE-NAD/1KAE-NAD_decoy_scores.csv |
1K6M-AGS | data/1K/1K6M-AGS/1K6M-AGS_ligand.pdbqt | data/1K/1K6M-AGS/1K6M-AGS_target.pdbqt | data/1K/1K6M-AGS/1K6M-AGS_decoys.pdbqt | data/1K/1K6M-AGS/1K6M-AGS_decoy_scores.csv |
1KDT-DOC | data/1K/1KDT-DOC/1KDT-DOC_ligand.pdbqt | data/1K/1KDT-DOC/1KDT-DOC_target.pdbqt | data/1K/1KDT-DOC/1KDT-DOC_decoys.pdbqt | data/1K/1KDT-DOC/1KDT-DOC_decoy_scores.csv |
1KAH-HIS | data/1K/1KAH-HIS/1KAH-HIS_ligand.pdbqt | data/1K/1KAH-HIS/1KAH-HIS_target.pdbqt | data/1K/1KAH-HIS/1KAH-HIS_decoys.pdbqt | data/1K/1KAH-HIS/1KAH-HIS_decoy_scores.csv |
1KS7-PHQ | data/1K/1KS7-PHQ/1KS7-PHQ_ligand.pdbqt | data/1K/1KS7-PHQ/1KS7-PHQ_target.pdbqt | data/1K/1KS7-PHQ/1KS7-PHQ_decoys.pdbqt | data/1K/1KS7-PHQ/1KS7-PHQ_decoy_scores.csv |
1KI3-PE2 | data/1K/1KI3-PE2/1KI3-PE2_ligand.pdbqt | data/1K/1KI3-PE2/1KI3-PE2_target.pdbqt | data/1K/1KI3-PE2/1KI3-PE2_decoys.pdbqt | data/1K/1KI3-PE2/1KI3-PE2_decoy_scores.csv |
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