Datasets:
jiangteam
/
DecoyDB

Dataset card Data Studio Files
xet
Community
1
complex_id
stringlengths
6
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ligand_pdbqt_path
stringlengths
34
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target_pdbqt_path
stringlengths
34
38
decoys_pdbqt_path
stringlengths
34
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⌀
decoy_scores_csv_path
stringlengths
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5K60-GLN
data/5K/5K60-GLN/5K60-GLN_ligand.pdbqt
data/5K/5K60-GLN/5K60-GLN_target.pdbqt
data/5K/5K60-GLN/5K60-GLN_decoys.pdbqt
data/5K/5K60-GLN/5K60-GLN_decoy_scores.csv
5KRC-ZER
data/5K/5KRC-ZER/5KRC-ZER_ligand.pdbqt
data/5K/5KRC-ZER/5KRC-ZER_target.pdbqt
data/5K/5KRC-ZER/5KRC-ZER_decoys.pdbqt
data/5K/5KRC-ZER/5KRC-ZER_decoy_scores.csv
5K8V-6RE
data/5K/5K8V-6RE/5K8V-6RE_ligand.pdbqt
data/5K/5K8V-6RE/5K8V-6RE_target.pdbqt
data/5K/5K8V-6RE/5K8V-6RE_decoys.pdbqt
data/5K/5K8V-6RE/5K8V-6RE_decoy_scores.csv
5K6N-XYP
data/5K/5K6N-XYP/5K6N-XYP_ligand.pdbqt
data/5K/5K6N-XYP/5K6N-XYP_target.pdbqt
data/5K/5K6N-XYP/5K6N-XYP_decoys.pdbqt
data/5K/5K6N-XYP/5K6N-XYP_decoy_scores.csv
5K4J-6QB
data/5K/5K4J-6QB/5K4J-6QB_ligand.pdbqt
data/5K/5K4J-6QB/5K4J-6QB_target.pdbqt
data/5K/5K4J-6QB/5K4J-6QB_decoys.pdbqt
data/5K/5K4J-6QB/5K4J-6QB_decoy_scores.csv
5KRM-6WU
data/5K/5KRM-6WU/5KRM-6WU_ligand.pdbqt
data/5K/5KRM-6WU/5KRM-6WU_target.pdbqt
data/5K/5KRM-6WU/5KRM-6WU_decoys.pdbqt
data/5K/5KRM-6WU/5KRM-6WU_decoy_scores.csv
5KX5-GTP
data/5K/5KX5-GTP/5KX5-GTP_ligand.pdbqt
data/5K/5KX5-GTP/5KX5-GTP_target.pdbqt
data/5K/5KX5-GTP/5KX5-GTP_decoys.pdbqt
data/5K/5KX5-GTP/5KX5-GTP_decoy_scores.csv
5KDQ-KOH
data/5K/5KDQ-KOH/5KDQ-KOH_ligand.pdbqt
data/5K/5KDQ-KOH/5KDQ-KOH_target.pdbqt
data/5K/5KDQ-KOH/5KDQ-KOH_decoys.pdbqt
data/5K/5KDQ-KOH/5KDQ-KOH_decoy_scores.csv
5KMW-PNM
data/5K/5KMW-PNM/5KMW-PNM_ligand.pdbqt
data/5K/5KMW-PNM/5KMW-PNM_target.pdbqt
data/5K/5KMW-PNM/5KMW-PNM_decoys.pdbqt
data/5K/5KMW-PNM/5KMW-PNM_decoy_scores.csv
5K4X-6Q9
data/5K/5K4X-6Q9/5K4X-6Q9_ligand.pdbqt
data/5K/5K4X-6Q9/5K4X-6Q9_target.pdbqt
data/5K/5K4X-6Q9/5K4X-6Q9_decoys.pdbqt
data/5K/5K4X-6Q9/5K4X-6Q9_decoy_scores.csv
5K32-6Q2
data/5K/5K32-6Q2/5K32-6Q2_ligand.pdbqt
data/5K/5K32-6Q2/5K32-6Q2_target.pdbqt
data/5K/5K32-6Q2/5K32-6Q2_decoys.pdbqt
data/5K/5K32-6Q2/5K32-6Q2_decoy_scores.csv
5K72-6QY
data/5K/5K72-6QY/5K72-6QY_ligand.pdbqt
data/5K/5K72-6QY/5K72-6QY_target.pdbqt
data/5K/5K72-6QY/5K72-6QY_decoys.pdbqt
data/5K/5K72-6QY/5K72-6QY_decoy_scores.csv
5KCJ-6RM
data/5K/5KCJ-6RM/5KCJ-6RM_ligand.pdbqt
data/5K/5KCJ-6RM/5KCJ-6RM_target.pdbqt
data/5K/5KCJ-6RM/5KCJ-6RM_decoys.pdbqt
data/5K/5KCJ-6RM/5KCJ-6RM_decoy_scores.csv
5KOF-6W5
data/5K/5KOF-6W5/5KOF-6W5_ligand.pdbqt
data/5K/5KOF-6W5/5KOF-6W5_target.pdbqt
data/5K/5KOF-6W5/5KOF-6W5_decoys.pdbqt
data/5K/5KOF-6W5/5KOF-6W5_decoy_scores.csv
5K1K-FMN
data/5K/5K1K-FMN/5K1K-FMN_ligand.pdbqt
data/5K/5K1K-FMN/5K1K-FMN_target.pdbqt
data/5K/5K1K-FMN/5K1K-FMN_decoys.pdbqt
data/5K/5K1K-FMN/5K1K-FMN_decoy_scores.csv
5KJU-6TO
data/5K/5KJU-6TO/5KJU-6TO_ligand.pdbqt
data/5K/5KJU-6TO/5KJU-6TO_target.pdbqt
data/5K/5KJU-6TO/5KJU-6TO_decoys.pdbqt
data/5K/5KJU-6TO/5KJU-6TO_decoy_scores.csv
5KJ1-PFB
data/5K/5KJ1-PFB/5KJ1-PFB_ligand.pdbqt
data/5K/5KJ1-PFB/5KJ1-PFB_target.pdbqt
data/5K/5KJ1-PFB/5KJ1-PFB_decoys.pdbqt
data/5K/5KJ1-PFB/5KJ1-PFB_decoy_scores.csv
5KHK-6SZ
data/5K/5KHK-6SZ/5KHK-6SZ_ligand.pdbqt
data/5K/5KHK-6SZ/5KHK-6SZ_target.pdbqt
data/5K/5KHK-6SZ/5KHK-6SZ_decoys.pdbqt
data/5K/5KHK-6SZ/5KHK-6SZ_decoy_scores.csv
5KCE-OB3
data/5K/5KCE-OB3/5KCE-OB3_ligand.pdbqt
data/5K/5KCE-OB3/5KCE-OB3_target.pdbqt
data/5K/5KCE-OB3/5KCE-OB3_decoys.pdbqt
data/5K/5KCE-OB3/5KCE-OB3_decoy_scores.csv
5K9W-OTA
data/5K/5K9W-OTA/5K9W-OTA_ligand.pdbqt
data/5K/5K9W-OTA/5K9W-OTA_target.pdbqt
data/5K/5K9W-OTA/5K9W-OTA_decoys.pdbqt
data/5K/5K9W-OTA/5K9W-OTA_decoy_scores.csv
5KY8-GDP
data/5K/5KY8-GDP/5KY8-GDP_ligand.pdbqt
data/5K/5KY8-GDP/5KY8-GDP_target.pdbqt
data/5K/5KY8-GDP/5KY8-GDP_decoys.pdbqt
data/5K/5KY8-GDP/5KY8-GDP_decoy_scores.csv
5KRL-6WR
data/5K/5KRL-6WR/5KRL-6WR_ligand.pdbqt
data/5K/5KRL-6WR/5KRL-6WR_target.pdbqt
data/5K/5KRL-6WR/5KRL-6WR_decoys.pdbqt
data/5K/5KRL-6WR/5KRL-6WR_decoy_scores.csv
5KO7-FMN
data/5K/5KO7-FMN/5KO7-FMN_ligand.pdbqt
data/5K/5KO7-FMN/5KO7-FMN_target.pdbqt
data/5K/5KO7-FMN/5KO7-FMN_decoys.pdbqt
data/5K/5KO7-FMN/5KO7-FMN_decoy_scores.csv
5KPP-6WZ
data/5K/5KPP-6WZ/5KPP-6WZ_ligand.pdbqt
data/5K/5KPP-6WZ/5KPP-6WZ_target.pdbqt
data/5K/5KPP-6WZ/5KPP-6WZ_decoys.pdbqt
data/5K/5KPP-6WZ/5KPP-6WZ_decoy_scores.csv
5K4I-6QB
data/5K/5K4I-6QB/5K4I-6QB_ligand.pdbqt
data/5K/5K4I-6QB/5K4I-6QB_target.pdbqt
data/5K/5K4I-6QB/5K4I-6QB_decoys.pdbqt
data/5K/5K4I-6QB/5K4I-6QB_decoy_scores.csv
5KAW-P4P
data/5K/5KAW-P4P/5KAW-P4P_ligand.pdbqt
data/5K/5KAW-P4P/5KAW-P4P_target.pdbqt
data/5K/5KAW-P4P/5KAW-P4P_decoys.pdbqt
data/5K/5KAW-P4P/5KAW-P4P_decoy_scores.csv
5K5P-THP
data/5K/5K5P-THP/5K5P-THP_ligand.pdbqt
data/5K/5K5P-THP/5K5P-THP_target.pdbqt
data/5K/5K5P-THP/5K5P-THP_decoys.pdbqt
data/5K/5K5P-THP/5K5P-THP_decoy_scores.csv
5KCY-GST
data/5K/5KCY-GST/5KCY-GST_ligand.pdbqt
data/5K/5KCY-GST/5KCY-GST_target.pdbqt
data/5K/5KCY-GST/5KCY-GST_decoys.pdbqt
data/5K/5KCY-GST/5KCY-GST_decoy_scores.csv
5K2D-CLR
data/5K/5K2D-CLR/5K2D-CLR_ligand.pdbqt
data/5K/5K2D-CLR/5K2D-CLR_target.pdbqt
data/5K/5K2D-CLR/5K2D-CLR_decoys.pdbqt
data/5K/5K2D-CLR/5K2D-CLR_decoy_scores.csv
5KDY-ANN
data/5K/5KDY-ANN/5KDY-ANN_ligand.pdbqt
data/5K/5KDY-ANN/5KDY-ANN_target.pdbqt
data/5K/5KDY-ANN/5KDY-ANN_decoys.pdbqt
data/5K/5KDY-ANN/5KDY-ANN_decoy_scores.csv
5KYT-SLU
data/5K/5KYT-SLU/5KYT-SLU_ligand.pdbqt
data/5K/5KYT-SLU/5KYT-SLU_target.pdbqt
data/5K/5KYT-SLU/5KYT-SLU_decoys.pdbqt
data/5K/5KYT-SLU/5KYT-SLU_decoy_scores.csv
5KUT-GDP
data/5K/5KUT-GDP/5KUT-GDP_ligand.pdbqt
data/5K/5KUT-GDP/5KUT-GDP_target.pdbqt
data/5K/5KUT-GDP/5KUT-GDP_decoys.pdbqt
data/5K/5KUT-GDP/5KUT-GDP_decoy_scores.csv
5K9D-ORO
data/5K/5K9D-ORO/5K9D-ORO_ligand.pdbqt
data/5K/5K9D-ORO/5K9D-ORO_target.pdbqt
data/5K/5K9D-ORO/5K9D-ORO_decoys.pdbqt
data/5K/5K9D-ORO/5K9D-ORO_decoy_scores.csv
5KKI-PE5
data/5K/5KKI-PE5/5KKI-PE5_ligand.pdbqt
data/5K/5KKI-PE5/5KKI-PE5_target.pdbqt
data/5K/5KKI-PE5/5KKI-PE5_decoys.pdbqt
data/5K/5KKI-PE5/5KKI-PE5_decoy_scores.csv
5KVS-6XR
data/5K/5KVS-6XR/5KVS-6XR_ligand.pdbqt
data/5K/5KVS-6XR/5KVS-6XR_target.pdbqt
data/5K/5KVS-6XR/5KVS-6XR_decoys.pdbqt
data/5K/5KVS-6XR/5KVS-6XR_decoy_scores.csv
5K42-NHE
data/5K/5K42-NHE/5K42-NHE_ligand.pdbqt
data/5K/5K42-NHE/5K42-NHE_target.pdbqt
data/5K/5K42-NHE/5K42-NHE_decoys.pdbqt
data/5K/5K42-NHE/5K42-NHE_decoy_scores.csv
5KJZ-PCG
data/5K/5KJZ-PCG/5KJZ-PCG_ligand.pdbqt
data/5K/5KJZ-PCG/5KJZ-PCG_target.pdbqt
data/5K/5KJZ-PCG/5KJZ-PCG_decoys.pdbqt
data/5K/5KJZ-PCG/5KJZ-PCG_decoy_scores.csv
5K0C-NHE
data/5K/5K0C-NHE/5K0C-NHE_ligand.pdbqt
data/5K/5K0C-NHE/5K0C-NHE_target.pdbqt
data/5K/5K0C-NHE/5K0C-NHE_decoys.pdbqt
data/5K/5K0C-NHE/5K0C-NHE_decoy_scores.csv
5KOK-R9T
data/5K/5KOK-R9T/5KOK-R9T_ligand.pdbqt
data/5K/5KOK-R9T/5KOK-R9T_target.pdbqt
data/5K/5KOK-R9T/5KOK-R9T_decoys.pdbqt
data/5K/5KOK-R9T/5KOK-R9T_decoy_scores.csv
5K7G-6R0
data/5K/5K7G-6R0/5K7G-6R0_ligand.pdbqt
data/5K/5K7G-6R0/5K7G-6R0_target.pdbqt
data/5K/5K7G-6R0/5K7G-6R0_decoys.pdbqt
data/5K/5K7G-6R0/5K7G-6R0_decoy_scores.csv
5KJK-SAM
data/5K/5KJK-SAM/5KJK-SAM_ligand.pdbqt
data/5K/5KJK-SAM/5KJK-SAM_target.pdbqt
data/5K/5KJK-SAM/5KJK-SAM_decoys.pdbqt
data/5K/5KJK-SAM/5KJK-SAM_decoy_scores.csv
5KCD-OB2
data/5K/5KCD-OB2/5KCD-OB2_ligand.pdbqt
data/5K/5KCD-OB2/5KCD-OB2_target.pdbqt
data/5K/5KCD-OB2/5KCD-OB2_decoys.pdbqt
data/5K/5KCD-OB2/5KCD-OB2_decoy_scores.csv
5KEE-THP
data/5K/5KEE-THP/5KEE-THP_ligand.pdbqt
data/5K/5KEE-THP/5KEE-THP_target.pdbqt
data/5K/5KEE-THP/5KEE-THP_decoys.pdbqt
data/5K/5KEE-THP/5KEE-THP_decoy_scores.csv
5KDZ-ANN
data/5K/5KDZ-ANN/5KDZ-ANN_ligand.pdbqt
data/5K/5KDZ-ANN/5KDZ-ANN_target.pdbqt
data/5K/5KDZ-ANN/5KDZ-ANN_decoys.pdbqt
data/5K/5KDZ-ANN/5KDZ-ANN_decoy_scores.csv
5KWV-ANP
data/5K/5KWV-ANP/5KWV-ANP_ligand.pdbqt
data/5K/5KWV-ANP/5KWV-ANP_target.pdbqt
data/5K/5KWV-ANP/5KWV-ANP_decoys.pdbqt
data/5K/5KWV-ANP/5KWV-ANP_decoy_scores.csv
5K0I-6PW
data/5K/5K0I-6PW/5K0I-6PW_ligand.pdbqt
data/5K/5K0I-6PW/5K0I-6PW_target.pdbqt
data/5K/5K0I-6PW/5K0I-6PW_decoys.pdbqt
data/5K/5K0I-6PW/5K0I-6PW_decoy_scores.csv
5K4P-SOR
data/5K/5K4P-SOR/5K4P-SOR_ligand.pdbqt
data/5K/5K4P-SOR/5K4P-SOR_target.pdbqt
data/5K/5K4P-SOR/5K4P-SOR_decoys.pdbqt
data/5K/5K4P-SOR/5K4P-SOR_decoy_scores.csv
5K05-6P5
data/5K/5K05-6P5/5K05-6P5_ligand.pdbqt
data/5K/5K05-6P5/5K05-6P5_target.pdbqt
data/5K/5K05-6P5/5K05-6P5_decoys.pdbqt
data/5K/5K05-6P5/5K05-6P5_decoy_scores.csv
5K7I-6QZ
data/5K/5K7I-6QZ/5K7I-6QZ_ligand.pdbqt
data/5K/5K7I-6QZ/5K7I-6QZ_target.pdbqt
data/5K/5K7I-6QZ/5K7I-6QZ_decoys.pdbqt
data/5K/5K7I-6QZ/5K7I-6QZ_decoy_scores.csv
5K41-NHE
data/5K/5K41-NHE/5K41-NHE_ligand.pdbqt
data/5K/5K41-NHE/5K41-NHE_target.pdbqt
data/5K/5K41-NHE/5K41-NHE_decoys.pdbqt
data/5K/5K41-NHE/5K41-NHE_decoy_scores.csv
5K8S-CMP
data/5K/5K8S-CMP/5K8S-CMP_ligand.pdbqt
data/5K/5K8S-CMP/5K8S-CMP_target.pdbqt
data/5K/5K8S-CMP/5K8S-CMP_decoys.pdbqt
data/5K/5K8S-CMP/5K8S-CMP_decoy_scores.csv
5KCX-6S3
data/5K/5KCX-6S3/5KCX-6S3_ligand.pdbqt
data/5K/5KCX-6S3/5KCX-6S3_target.pdbqt
data/5K/5KCX-6S3/5KCX-6S3_decoys.pdbqt
data/5K/5KCX-6S3/5KCX-6S3_decoy_scores.csv
5KH3-6U6
data/5K/5KH3-6U6/5KH3-6U6_ligand.pdbqt
data/5K/5KH3-6U6/5KH3-6U6_target.pdbqt
data/5K/5KH3-6U6/5KH3-6U6_decoys.pdbqt
data/5K/5KH3-6U6/5KH3-6U6_decoy_scores.csv
5KV8-6Y6
data/5K/5KV8-6Y6/5KV8-6Y6_ligand.pdbqt
data/5K/5KV8-6Y6/5KV8-6Y6_target.pdbqt
data/5K/5KV8-6Y6/5KV8-6Y6_decoys.pdbqt
data/5K/5KV8-6Y6/5KV8-6Y6_decoy_scores.csv
5KCJ-GLU
data/5K/5KCJ-GLU/5KCJ-GLU_ligand.pdbqt
data/5K/5KCJ-GLU/5KCJ-GLU_target.pdbqt
data/5K/5KCJ-GLU/5KCJ-GLU_decoys.pdbqt
data/5K/5KCJ-GLU/5KCJ-GLU_decoy_scores.csv
5KR1-017
data/5K/5KR1-017/5KR1-017_ligand.pdbqt
data/5K/5KR1-017/5KR1-017_target.pdbqt
data/5K/5KR1-017/5KR1-017_decoys.pdbqt
data/5K/5KR1-017/5KR1-017_decoy_scores.csv
5KXQ-GDP
data/5K/5KXQ-GDP/5KXQ-GDP_ligand.pdbqt
data/5K/5KXQ-GDP/5KXQ-GDP_target.pdbqt
data/5K/5KXQ-GDP/5KXQ-GDP_decoys.pdbqt
data/5K/5KXQ-GDP/5KXQ-GDP_decoy_scores.csv
5KM0-IMP
data/5K/5KM0-IMP/5KM0-IMP_ligand.pdbqt
data/5K/5KM0-IMP/5KM0-IMP_target.pdbqt
data/5K/5KM0-IMP/5KM0-IMP_decoys.pdbqt
data/5K/5KM0-IMP/5KM0-IMP_decoy_scores.csv
5KDB-4IA
data/5K/5KDB-4IA/5KDB-4IA_ligand.pdbqt
data/5K/5KDB-4IA/5KDB-4IA_target.pdbqt
data/5K/5KDB-4IA/5KDB-4IA_decoys.pdbqt
data/5K/5KDB-4IA/5KDB-4IA_decoy_scores.csv
5KJ6-PFB
data/5K/5KJ6-PFB/5KJ6-PFB_ligand.pdbqt
data/5K/5KJ6-PFB/5KJ6-PFB_target.pdbqt
data/5K/5KJ6-PFB/5KJ6-PFB_decoys.pdbqt
data/5K/5KJ6-PFB/5KJ6-PFB_decoy_scores.csv
5KQG-6VX
data/5K/5KQG-6VX/5KQG-6VX_ligand.pdbqt
data/5K/5KQG-6VX/5KQG-6VX_target.pdbqt
data/5K/5KQG-6VX/5KQG-6VX_decoys.pdbqt
data/5K/5KQG-6VX/5KQG-6VX_decoy_scores.csv
5KHD-C2E
data/5K/5KHD-C2E/5KHD-C2E_ligand.pdbqt
data/5K/5KHD-C2E/5KHD-C2E_target.pdbqt
data/5K/5KHD-C2E/5KHD-C2E_decoys.pdbqt
data/5K/5KHD-C2E/5KHD-C2E_decoy_scores.csv
5K52-OCD
data/5K/5K52-OCD/5K52-OCD_ligand.pdbqt
data/5K/5K52-OCD/5K52-OCD_target.pdbqt
data/5K/5K52-OCD/5K52-OCD_decoys.pdbqt
data/5K/5K52-OCD/5K52-OCD_decoy_scores.csv
5KBR-IPW
data/5K/5KBR-IPW/5KBR-IPW_ligand.pdbqt
data/5K/5KBR-IPW/5KBR-IPW_target.pdbqt
data/5K/5KBR-IPW/5KBR-IPW_decoys.pdbqt
data/5K/5KBR-IPW/5KBR-IPW_decoy_scores.csv
5KY4-GDP
data/5K/5KY4-GDP/5KY4-GDP_ligand.pdbqt
data/5K/5KY4-GDP/5KY4-GDP_target.pdbqt
data/5K/5KY4-GDP/5KY4-GDP_decoys.pdbqt
data/5K/5KY4-GDP/5KY4-GDP_decoy_scores.csv
5K0L-6P2
data/5K/5K0L-6P2/5K0L-6P2_ligand.pdbqt
data/5K/5K0L-6P2/5K0L-6P2_target.pdbqt
data/5K/5K0L-6P2/5K0L-6P2_decoys.pdbqt
data/5K/5K0L-6P2/5K0L-6P2_decoy_scores.csv
5KJX-CMP
data/5K/5KJX-CMP/5KJX-CMP_ligand.pdbqt
data/5K/5KJX-CMP/5KJX-CMP_target.pdbqt
data/5K/5KJX-CMP/5KJX-CMP_decoys.pdbqt
data/5K/5KJX-CMP/5KJX-CMP_decoy_scores.csv
5K0L-NHE
data/5K/5K0L-NHE/5K0L-NHE_ligand.pdbqt
data/5K/5K0L-NHE/5K0L-NHE_target.pdbqt
data/5K/5K0L-NHE/5K0L-NHE_decoys.pdbqt
data/5K/5K0L-NHE/5K0L-NHE_decoy_scores.csv
5KRI-6WM
data/5K/5KRI-6WM/5KRI-6WM_ligand.pdbqt
data/5K/5KRI-6WM/5KRI-6WM_target.pdbqt
data/5K/5KRI-6WM/5KRI-6WM_decoys.pdbqt
data/5K/5KRI-6WM/5KRI-6WM_decoy_scores.csv
5KJE-NAJ
data/5K/5KJE-NAJ/5KJE-NAJ_ligand.pdbqt
data/5K/5KJE-NAJ/5KJE-NAJ_target.pdbqt
data/5K/5KJE-NAJ/5KJE-NAJ_decoys.pdbqt
data/5K/5KJE-NAJ/5KJE-NAJ_decoy_scores.csv
5K1P-ANP
data/5K/5K1P-ANP/5K1P-ANP_ligand.pdbqt
data/5K/5K1P-ANP/5K1P-ANP_target.pdbqt
data/5K/5K1P-ANP/5K1P-ANP_decoys.pdbqt
data/5K/5K1P-ANP/5K1P-ANP_decoy_scores.csv
5KDO-GDP
data/5K/5KDO-GDP/5KDO-GDP_ligand.pdbqt
data/5K/5KDO-GDP/5KDO-GDP_target.pdbqt
data/5K/5KDO-GDP/5KDO-GDP_decoys.pdbqt
data/5K/5KDO-GDP/5KDO-GDP_decoy_scores.csv
5KLY-6UR
data/5K/5KLY-6UR/5KLY-6UR_ligand.pdbqt
data/5K/5KLY-6UR/5KLY-6UR_target.pdbqt
data/5K/5KLY-6UR/5KLY-6UR_decoys.pdbqt
data/5K/5KLY-6UR/5KLY-6UR_decoy_scores.csv
5KR9-CUE
data/5K/5KR9-CUE/5KR9-CUE_ligand.pdbqt
data/5K/5KR9-CUE/5KR9-CUE_target.pdbqt
data/5K/5KR9-CUE/5KR9-CUE_decoys.pdbqt
data/5K/5KR9-CUE/5KR9-CUE_decoy_scores.csv
5KTX-6XH
data/5K/5KTX-6XH/5KTX-6XH_ligand.pdbqt
data/5K/5KTX-6XH/5KTX-6XH_target.pdbqt
data/5K/5KTX-6XH/5KTX-6XH_decoys.pdbqt
data/5K/5KTX-6XH/5KTX-6XH_decoy_scores.csv
5KGT-6SQ
data/5K/5KGT-6SQ/5KGT-6SQ_ligand.pdbqt
data/5K/5KGT-6SQ/5KGT-6SQ_target.pdbqt
data/5K/5KGT-6SQ/5KGT-6SQ_decoys.pdbqt
data/5K/5KGT-6SQ/5KGT-6SQ_decoy_scores.csv
5KKY-6UD
data/5K/5KKY-6UD/5KKY-6UD_ligand.pdbqt
data/5K/5KKY-6UD/5KKY-6UD_target.pdbqt
data/5K/5KKY-6UD/5KKY-6UD_decoys.pdbqt
data/5K/5KKY-6UD/5KKY-6UD_decoy_scores.csv
5KZV-HCD
data/5K/5KZV-HCD/5KZV-HCD_ligand.pdbqt
data/5K/5KZV-HCD/5KZV-HCD_target.pdbqt
data/5K/5KZV-HCD/5KZV-HCD_decoys.pdbqt
data/5K/5KZV-HCD/5KZV-HCD_decoy_scores.csv
5KAW-RHQ
data/5K/5KAW-RHQ/5KAW-RHQ_ligand.pdbqt
data/5K/5KAW-RHQ/5KAW-RHQ_target.pdbqt
data/5K/5KAW-RHQ/5KAW-RHQ_decoys.pdbqt
data/5K/5KAW-RHQ/5KAW-RHQ_decoy_scores.csv
5KSC-AZR
data/5K/5KSC-AZR/5KSC-AZR_ligand.pdbqt
data/5K/5KSC-AZR/5KSC-AZR_target.pdbqt
null
null
5KGJ-EP1
data/5K/5KGJ-EP1/5KGJ-EP1_ligand.pdbqt
data/5K/5KGJ-EP1/5KGJ-EP1_target.pdbqt
data/5K/5KGJ-EP1/5KGJ-EP1_decoys.pdbqt
data/5K/5KGJ-EP1/5KGJ-EP1_decoy_scores.csv
5KJM-6TM
data/5K/5KJM-6TM/5KJM-6TM_ligand.pdbqt
data/5K/5KJM-6TM/5KJM-6TM_target.pdbqt
data/5K/5KJM-6TM/5KJM-6TM_decoys.pdbqt
data/5K/5KJM-6TM/5KJM-6TM_decoy_scores.csv
5K2A-CLR
data/5K/5K2A-CLR/5K2A-CLR_ligand.pdbqt
data/5K/5K2A-CLR/5K2A-CLR_target.pdbqt
data/5K/5K2A-CLR/5K2A-CLR_decoys.pdbqt
data/5K/5K2A-CLR/5K2A-CLR_decoy_scores.csv
5KTC-FUH
data/5K/5KTC-FUH/5KTC-FUH_ligand.pdbqt
data/5K/5KTC-FUH/5KTC-FUH_target.pdbqt
data/5K/5KTC-FUH/5KTC-FUH_decoys.pdbqt
data/5K/5KTC-FUH/5KTC-FUH_decoy_scores.csv
5KR2-ROC
data/5K/5KR2-ROC/5KR2-ROC_ligand.pdbqt
data/5K/5KR2-ROC/5KR2-ROC_target.pdbqt
data/5K/5KR2-ROC/5KR2-ROC_decoys.pdbqt
data/5K/5KR2-ROC/5KR2-ROC_decoy_scores.csv
5KLU-6UZ
data/5K/5KLU-6UZ/5KLU-6UZ_ligand.pdbqt
data/5K/5KLU-6UZ/5KLU-6UZ_target.pdbqt
data/5K/5KLU-6UZ/5KLU-6UZ_decoys.pdbqt
data/5K/5KLU-6UZ/5KLU-6UZ_decoy_scores.csv
5KWK-GDP
data/5K/5KWK-GDP/5KWK-GDP_ligand.pdbqt
data/5K/5KWK-GDP/5KWK-GDP_target.pdbqt
data/5K/5KWK-GDP/5KWK-GDP_decoys.pdbqt
data/5K/5KWK-GDP/5KWK-GDP_decoy_scores.csv
5KCP-NAJ
data/5K/5KCP-NAJ/5KCP-NAJ_ligand.pdbqt
data/5K/5KCP-NAJ/5KCP-NAJ_target.pdbqt
data/5K/5KCP-NAJ/5KCP-NAJ_decoys.pdbqt
data/5K/5KCP-NAJ/5KCP-NAJ_decoy_scores.csv
5KY0-GDP
data/5K/5KY0-GDP/5KY0-GDP_ligand.pdbqt
data/5K/5KY0-GDP/5KY0-GDP_target.pdbqt
data/5K/5KY0-GDP/5KY0-GDP_decoys.pdbqt
data/5K/5KY0-GDP/5KY0-GDP_decoy_scores.csv
5KPG-SAH
data/5K/5KPG-SAH/5KPG-SAH_ligand.pdbqt
data/5K/5KPG-SAH/5KPG-SAH_target.pdbqt
data/5K/5KPG-SAH/5KPG-SAH_decoys.pdbqt
data/5K/5KPG-SAH/5KPG-SAH_decoy_scores.csv
5K1K-8K6
data/5K/5K1K-8K6/5K1K-8K6_ligand.pdbqt
data/5K/5K1K-8K6/5K1K-8K6_target.pdbqt
data/5K/5K1K-8K6/5K1K-8K6_decoys.pdbqt
data/5K/5K1K-8K6/5K1K-8K6_decoy_scores.csv
5K0B-6PS
data/5K/5K0B-6PS/5K0B-6PS_ligand.pdbqt
data/5K/5K0B-6PS/5K0B-6PS_target.pdbqt
data/5K/5K0B-6PS/5K0B-6PS_decoys.pdbqt
data/5K/5K0B-6PS/5K0B-6PS_decoy_scores.csv
5KDA-DST
data/5K/5KDA-DST/5KDA-DST_ligand.pdbqt
data/5K/5KDA-DST/5KDA-DST_target.pdbqt
data/5K/5KDA-DST/5KDA-DST_decoys.pdbqt
data/5K/5KDA-DST/5KDA-DST_decoy_scores.csv
5KY2-GDP
data/5K/5KY2-GDP/5KY2-GDP_ligand.pdbqt
data/5K/5KY2-GDP/5KY2-GDP_target.pdbqt
data/5K/5KY2-GDP/5KY2-GDP_decoys.pdbqt
data/5K/5KY2-GDP/5KY2-GDP_decoy_scores.csv
5KJK-6T1
data/5K/5KJK-6T1/5KJK-6T1_ligand.pdbqt
data/5K/5KJK-6T1/5KJK-6T1_target.pdbqt
data/5K/5KJK-6T1/5KJK-6T1_decoys.pdbqt
data/5K/5KJK-6T1/5KJK-6T1_decoy_scores.csv
5K14-IB1
data/5K/5K14-IB1/5K14-IB1_ligand.pdbqt
data/5K/5K14-IB1/5K14-IB1_target.pdbqt
data/5K/5K14-IB1/5K14-IB1_decoys.pdbqt
data/5K/5K14-IB1/5K14-IB1_decoy_scores.csv
5KMN-6UK
data/5K/5KMN-6UK/5KMN-6UK_ligand.pdbqt
data/5K/5KMN-6UK/5KMN-6UK_target.pdbqt
data/5K/5KMN-6UK/5KMN-6UK_decoys.pdbqt
data/5K/5KMN-6UK/5KMN-6UK_decoy_scores.csv
5KHM-XNH
data/5K/5KHM-XNH/5KHM-XNH_ligand.pdbqt
data/5K/5KHM-XNH/5KHM-XNH_target.pdbqt
data/5K/5KHM-XNH/5KHM-XNH_decoys.pdbqt
data/5K/5KHM-XNH/5KHM-XNH_decoy_scores.csv
5KRH-6WN
data/5K/5KRH-6WN/5KRH-6WN_ligand.pdbqt
data/5K/5KRH-6WN/5KRH-6WN_target.pdbqt
data/5K/5KRH-6WN/5KRH-6WN_decoys.pdbqt
data/5K/5KRH-6WN/5KRH-6WN_decoy_scores.csv
5KHG-CC7
data/5K/5KHG-CC7/5KHG-CC7_ligand.pdbqt
data/5K/5KHG-CC7/5KHG-CC7_target.pdbqt
data/5K/5KHG-CC7/5KHG-CC7_decoys.pdbqt
data/5K/5KHG-CC7/5KHG-CC7_decoy_scores.csv