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 ⌀ |
|---|---|---|---|---|
5K0N-NHE | data/5K/5K0N-NHE/5K0N-NHE_ligand.pdbqt | data/5K/5K0N-NHE/5K0N-NHE_target.pdbqt | data/5K/5K0N-NHE/5K0N-NHE_decoys.pdbqt | data/5K/5K0N-NHE/5K0N-NHE_decoy_scores.csv |
5KCF-OB5 | data/5K/5KCF-OB5/5KCF-OB5_ligand.pdbqt | data/5K/5KCF-OB5/5KCF-OB5_target.pdbqt | data/5K/5KCF-OB5/5KCF-OB5_decoys.pdbqt | data/5K/5KCF-OB5/5KCF-OB5_decoy_scores.csv |
5KJ1-NAJ | data/5K/5KJ1-NAJ/5KJ1-NAJ_ligand.pdbqt | data/5K/5KJ1-NAJ/5KJ1-NAJ_target.pdbqt | data/5K/5KJ1-NAJ/5KJ1-NAJ_decoys.pdbqt | data/5K/5KJ1-NAJ/5KJ1-NAJ_decoy_scores.csv |
5KGG-6SO | data/5K/5KGG-6SO/5KGG-6SO_ligand.pdbqt | data/5K/5KGG-6SO/5KGG-6SO_target.pdbqt | data/5K/5KGG-6SO/5KGG-6SO_decoys.pdbqt | data/5K/5KGG-6SO/5KGG-6SO_decoy_scores.csv |
5KAT-P4P | data/5K/5KAT-P4P/5KAT-P4P_ligand.pdbqt | data/5K/5KAT-P4P/5KAT-P4P_target.pdbqt | data/5K/5KAT-P4P/5KAT-P4P_decoys.pdbqt | data/5K/5KAT-P4P/5KAT-P4P_decoy_scores.csv |
5KCP-PFB | data/5K/5KCP-PFB/5KCP-PFB_ligand.pdbqt | data/5K/5KCP-PFB/5KCP-PFB_target.pdbqt | data/5K/5KCP-PFB/5KCP-PFB_decoys.pdbqt | data/5K/5KCP-PFB/5KCP-PFB_decoy_scores.csv |
5KQ8-AN2 | data/5K/5KQ8-AN2/5KQ8-AN2_ligand.pdbqt | data/5K/5KQ8-AN2/5KQ8-AN2_target.pdbqt | data/5K/5KQ8-AN2/5KQ8-AN2_decoys.pdbqt | data/5K/5KQ8-AN2/5KQ8-AN2_decoy_scores.csv |
5KQF-6WD | data/5K/5KQF-6WD/5KQF-6WD_ligand.pdbqt | data/5K/5KQF-6WD/5KQF-6WD_target.pdbqt | data/5K/5KQF-6WD/5KQF-6WD_decoys.pdbqt | data/5K/5KQF-6WD/5KQF-6WD_decoy_scores.csv |
5KQS-M7G | data/5K/5KQS-M7G/5KQS-M7G_ligand.pdbqt | data/5K/5KQS-M7G/5KQS-M7G_target.pdbqt | data/5K/5KQS-M7G/5KQS-M7G_decoys.pdbqt | data/5K/5KQS-M7G/5KQS-M7G_decoy_scores.csv |
5KJF-NAJ | data/5K/5KJF-NAJ/5KJF-NAJ_ligand.pdbqt | data/5K/5KJF-NAJ/5KJF-NAJ_target.pdbqt | data/5K/5KJF-NAJ/5KJF-NAJ_decoys.pdbqt | data/5K/5KJF-NAJ/5KJF-NAJ_decoy_scores.csv |
5KLL-6UN | data/5K/5KLL-6UN/5KLL-6UN_ligand.pdbqt | data/5K/5KLL-6UN/5KLL-6UN_target.pdbqt | data/5K/5KLL-6UN/5KLL-6UN_decoys.pdbqt | data/5K/5KLL-6UN/5KLL-6UN_decoy_scores.csv |
5KMJ-6UF | data/5K/5KMJ-6UF/5KMJ-6UF_ligand.pdbqt | data/5K/5KMJ-6UF/5KMJ-6UF_target.pdbqt | data/5K/5KMJ-6UF/5KMJ-6UF_decoys.pdbqt | data/5K/5KMJ-6UF/5KMJ-6UF_decoy_scores.csv |
5KD8-A2G | data/5K/5KD8-A2G/5KD8-A2G_ligand.pdbqt | data/5K/5KD8-A2G/5KD8-A2G_target.pdbqt | data/5K/5KD8-A2G/5KD8-A2G_decoys.pdbqt | data/5K/5KD8-A2G/5KD8-A2G_decoy_scores.csv |
5KCO-6RO | data/5K/5KCO-6RO/5KCO-6RO_ligand.pdbqt | data/5K/5KCO-6RO/5KCO-6RO_target.pdbqt | data/5K/5KCO-6RO/5KCO-6RO_decoys.pdbqt | data/5K/5KCO-6RO/5KCO-6RO_decoy_scores.csv |
5K03-6P4 | data/5K/5K03-6P4/5K03-6P4_ligand.pdbqt | data/5K/5K03-6P4/5K03-6P4_target.pdbqt | data/5K/5K03-6P4/5K03-6P4_decoys.pdbqt | data/5K/5K03-6P4/5K03-6P4_decoy_scores.csv |
5KPR-ANP | data/5K/5KPR-ANP/5KPR-ANP_ligand.pdbqt | data/5K/5KPR-ANP/5KPR-ANP_target.pdbqt | data/5K/5KPR-ANP/5KPR-ANP_decoys.pdbqt | data/5K/5KPR-ANP/5KPR-ANP_decoy_scores.csv |
5KH7-6T7 | data/5K/5KH7-6T7/5KH7-6T7_ligand.pdbqt | data/5K/5KH7-6T7/5KH7-6T7_target.pdbqt | data/5K/5KH7-6T7/5KH7-6T7_decoys.pdbqt | data/5K/5KH7-6T7/5KH7-6T7_decoy_scores.csv |
5KCL-DST | data/5K/5KCL-DST/5KCL-DST_ligand.pdbqt | data/5K/5KCL-DST/5KCL-DST_target.pdbqt | data/5K/5KCL-DST/5KCL-DST_decoys.pdbqt | data/5K/5KCL-DST/5KCL-DST_decoy_scores.csv |
5KGW-7SK | data/5K/5KGW-7SK/5KGW-7SK_ligand.pdbqt | data/5K/5KGW-7SK/5KGW-7SK_target.pdbqt | null | null |
5KZ0-6YL | data/5K/5KZ0-6YL/5KZ0-6YL_ligand.pdbqt | data/5K/5KZ0-6YL/5KZ0-6YL_target.pdbqt | data/5K/5KZ0-6YL/5KZ0-6YL_decoys.pdbqt | data/5K/5KZ0-6YL/5KZ0-6YL_decoy_scores.csv |
5KHJ-6SY | data/5K/5KHJ-6SY/5KHJ-6SY_ligand.pdbqt | data/5K/5KHJ-6SY/5KHJ-6SY_target.pdbqt | data/5K/5KHJ-6SY/5KHJ-6SY_decoys.pdbqt | data/5K/5KHJ-6SY/5KHJ-6SY_decoy_scores.csv |
5KML-6UH | data/5K/5KML-6UH/5KML-6UH_ligand.pdbqt | data/5K/5KML-6UH/5KML-6UH_target.pdbqt | data/5K/5KML-6UH/5KML-6UH_decoys.pdbqt | data/5K/5KML-6UH/5KML-6UH_decoy_scores.csv |
5KYI-THP | data/5K/5KYI-THP/5KYI-THP_ligand.pdbqt | data/5K/5KYI-THP/5KYI-THP_target.pdbqt | data/5K/5KYI-THP/5KYI-THP_decoys.pdbqt | data/5K/5KYI-THP/5KYI-THP_decoy_scores.csv |
5K4U-NAD | data/5K/5K4U-NAD/5K4U-NAD_ligand.pdbqt | data/5K/5K4U-NAD/5K4U-NAD_target.pdbqt | data/5K/5K4U-NAD/5K4U-NAD_decoys.pdbqt | data/5K/5K4U-NAD/5K4U-NAD_decoy_scores.csv |
5KX5-GDP | data/5K/5KX5-GDP/5KX5-GDP_ligand.pdbqt | data/5K/5KX5-GDP/5KX5-GDP_target.pdbqt | data/5K/5KX5-GDP/5KX5-GDP_decoys.pdbqt | data/5K/5KX5-GDP/5KX5-GDP_decoy_scores.csv |
5KTN-13P | data/5K/5KTN-13P/5KTN-13P_ligand.pdbqt | data/5K/5KTN-13P/5KTN-13P_target.pdbqt | data/5K/5KTN-13P/5KTN-13P_decoys.pdbqt | data/5K/5KTN-13P/5KTN-13P_decoy_scores.csv |
5KF9-EP1 | data/5K/5KF9-EP1/5KF9-EP1_ligand.pdbqt | data/5K/5KF9-EP1/5KF9-EP1_target.pdbqt | data/5K/5KF9-EP1/5KF9-EP1_decoys.pdbqt | data/5K/5KF9-EP1/5KF9-EP1_decoy_scores.csv |
5KCC-OB1 | data/5K/5KCC-OB1/5KCC-OB1_ligand.pdbqt | data/5K/5KCC-OB1/5KCC-OB1_target.pdbqt | data/5K/5KCC-OB1/5KCC-OB1_decoys.pdbqt | data/5K/5KCC-OB1/5KCC-OB1_decoy_scores.csv |
5KAX-RHQ | data/5K/5KAX-RHQ/5KAX-RHQ_ligand.pdbqt | data/5K/5KAX-RHQ/5KAX-RHQ_target.pdbqt | data/5K/5KAX-RHQ/5KAX-RHQ_decoys.pdbqt | data/5K/5KAX-RHQ/5KAX-RHQ_decoy_scores.csv |
5K21-6QF | data/5K/5K21-6QF/5K21-6QF_ligand.pdbqt | data/5K/5K21-6QF/5K21-6QF_target.pdbqt | data/5K/5K21-6QF/5K21-6QF_decoys.pdbqt | data/5K/5K21-6QF/5K21-6QF_decoy_scores.csv |
5KB5-ADP | data/5K/5KB5-ADP/5KB5-ADP_ligand.pdbqt | data/5K/5KB5-ADP/5KB5-ADP_target.pdbqt | data/5K/5KB5-ADP/5KB5-ADP_decoys.pdbqt | data/5K/5KB5-ADP/5KB5-ADP_decoy_scores.csv |
5KPZ-PAZ | data/5K/5KPZ-PAZ/5KPZ-PAZ_ligand.pdbqt | data/5K/5KPZ-PAZ/5KPZ-PAZ_target.pdbqt | data/5K/5KPZ-PAZ/5KPZ-PAZ_decoys.pdbqt | data/5K/5KPZ-PAZ/5KPZ-PAZ_decoy_scores.csv |
5KY9-GDP | data/5K/5KY9-GDP/5KY9-GDP_ligand.pdbqt | data/5K/5KY9-GDP/5KY9-GDP_target.pdbqt | data/5K/5KY9-GDP/5KY9-GDP_decoys.pdbqt | data/5K/5KY9-GDP/5KY9-GDP_decoy_scores.csv |
5KOC-SAM | data/5K/5KOC-SAM/5KOC-SAM_ligand.pdbqt | data/5K/5KOC-SAM/5KOC-SAM_target.pdbqt | data/5K/5KOC-SAM/5KOC-SAM_decoys.pdbqt | data/5K/5KOC-SAM/5KOC-SAM_decoy_scores.csv |
5KSO-GDP | data/5K/5KSO-GDP/5KSO-GDP_ligand.pdbqt | data/5K/5KSO-GDP/5KSO-GDP_target.pdbqt | data/5K/5KSO-GDP/5KSO-GDP_decoys.pdbqt | data/5K/5KSO-GDP/5KSO-GDP_decoy_scores.csv |
5KBN-DMU | data/5K/5KBN-DMU/5KBN-DMU_ligand.pdbqt | data/5K/5KBN-DMU/5KBN-DMU_target.pdbqt | data/5K/5KBN-DMU/5KBN-DMU_decoys.pdbqt | data/5K/5KBN-DMU/5KBN-DMU_decoy_scores.csv |
5K8B-PDG | data/5K/5K8B-PDG/5K8B-PDG_ligand.pdbqt | data/5K/5K8B-PDG/5K8B-PDG_target.pdbqt | data/5K/5K8B-PDG/5K8B-PDG_decoys.pdbqt | data/5K/5K8B-PDG/5K8B-PDG_decoy_scores.csv |
5KKH-RET | data/5K/5KKH-RET/5KKH-RET_ligand.pdbqt | data/5K/5KKH-RET/5KKH-RET_target.pdbqt | data/5K/5KKH-RET/5KKH-RET_decoys.pdbqt | data/5K/5KKH-RET/5KKH-RET_decoy_scores.csv |
5KLK-NAD | data/5K/5KLK-NAD/5KLK-NAD_ligand.pdbqt | data/5K/5KLK-NAD/5KLK-NAD_target.pdbqt | data/5K/5KLK-NAD/5KLK-NAD_decoys.pdbqt | data/5K/5KLK-NAD/5KLK-NAD_decoy_scores.csv |
5KQR-SAM | data/5K/5KQR-SAM/5KQR-SAM_ligand.pdbqt | data/5K/5KQR-SAM/5KQR-SAM_target.pdbqt | data/5K/5KQR-SAM/5KQR-SAM_decoys.pdbqt | data/5K/5KQR-SAM/5KQR-SAM_decoy_scores.csv |
5KDH-6RX | data/5K/5KDH-6RX/5KDH-6RX_ligand.pdbqt | data/5K/5KDH-6RX/5KDH-6RX_target.pdbqt | data/5K/5KDH-6RX/5KDH-6RX_decoys.pdbqt | data/5K/5KDH-6RX/5KDH-6RX_decoy_scores.csv |
5KTO-NTM | data/5K/5KTO-NTM/5KTO-NTM_ligand.pdbqt | data/5K/5KTO-NTM/5KTO-NTM_target.pdbqt | data/5K/5KTO-NTM/5KTO-NTM_decoys.pdbqt | data/5K/5KTO-NTM/5KTO-NTM_decoy_scores.csv |
5KK8-ADP | data/5K/5KK8-ADP/5KK8-ADP_ligand.pdbqt | data/5K/5KK8-ADP/5KK8-ADP_target.pdbqt | data/5K/5KK8-ADP/5KK8-ADP_decoys.pdbqt | data/5K/5KK8-ADP/5KK8-ADP_decoy_scores.csv |
5K0G-NHE | data/5K/5K0G-NHE/5K0G-NHE_ligand.pdbqt | data/5K/5K0G-NHE/5K0G-NHE_target.pdbqt | data/5K/5K0G-NHE/5K0G-NHE_decoys.pdbqt | data/5K/5K0G-NHE/5K0G-NHE_decoy_scores.csv |
5KWW-6YA | data/5K/5KWW-6YA/5KWW-6YA_ligand.pdbqt | data/5K/5KWW-6YA/5KWW-6YA_target.pdbqt | data/5K/5KWW-6YA/5KWW-6YA_decoys.pdbqt | data/5K/5KWW-6YA/5KWW-6YA_decoy_scores.csv |
5KT8-NIZ | data/5K/5KT8-NIZ/5KT8-NIZ_ligand.pdbqt | data/5K/5KT8-NIZ/5KT8-NIZ_target.pdbqt | data/5K/5KT8-NIZ/5KT8-NIZ_decoys.pdbqt | data/5K/5KT8-NIZ/5KT8-NIZ_decoy_scores.csv |
5KU6-MZM | data/5K/5KU6-MZM/5KU6-MZM_ligand.pdbqt | data/5K/5KU6-MZM/5KU6-MZM_target.pdbqt | data/5K/5KU6-MZM/5KU6-MZM_decoys.pdbqt | data/5K/5KU6-MZM/5KU6-MZM_decoy_scores.csv |
5KRS-6XI | data/5K/5KRS-6XI/5KRS-6XI_ligand.pdbqt | data/5K/5KRS-6XI/5KRS-6XI_target.pdbqt | null | null |
5K9C-FNR | data/5K/5K9C-FNR/5K9C-FNR_ligand.pdbqt | data/5K/5K9C-FNR/5K9C-FNR_target.pdbqt | data/5K/5K9C-FNR/5K9C-FNR_decoys.pdbqt | data/5K/5K9C-FNR/5K9C-FNR_decoy_scores.csv |
5K69-6QR | data/5K/5K69-6QR/5K69-6QR_ligand.pdbqt | data/5K/5K69-6QR/5K69-6QR_target.pdbqt | data/5K/5K69-6QR/5K69-6QR_decoys.pdbqt | data/5K/5K69-6QR/5K69-6QR_decoy_scores.csv |
5K0N-6P0 | data/5K/5K0N-6P0/5K0N-6P0_ligand.pdbqt | data/5K/5K0N-6P0/5K0N-6P0_target.pdbqt | data/5K/5K0N-6P0/5K0N-6P0_decoys.pdbqt | data/5K/5K0N-6P0/5K0N-6P0_decoy_scores.csv |
5K4Z-6Q8 | data/5K/5K4Z-6Q8/5K4Z-6Q8_ligand.pdbqt | data/5K/5K4Z-6Q8/5K4Z-6Q8_target.pdbqt | data/5K/5K4Z-6Q8/5K4Z-6Q8_decoys.pdbqt | data/5K/5K4Z-6Q8/5K4Z-6Q8_decoy_scores.csv |
5KH6-6SU | data/5K/5KH6-6SU/5KH6-6SU_ligand.pdbqt | data/5K/5KH6-6SU/5KH6-6SU_target.pdbqt | data/5K/5KH6-6SU/5KH6-6SU_decoys.pdbqt | data/5K/5KH6-6SU/5KH6-6SU_decoy_scores.csv |
5KB6-ADN | data/5K/5KB6-ADN/5KB6-ADN_ligand.pdbqt | data/5K/5KB6-ADN/5KB6-ADN_target.pdbqt | data/5K/5KB6-ADN/5KB6-ADN_decoys.pdbqt | data/5K/5KB6-ADN/5KB6-ADN_decoy_scores.csv |
5K0J-6P2 | data/5K/5K0J-6P2/5K0J-6P2_ligand.pdbqt | data/5K/5K0J-6P2/5K0J-6P2_target.pdbqt | data/5K/5K0J-6P2/5K0J-6P2_decoys.pdbqt | data/5K/5K0J-6P2/5K0J-6P2_decoy_scores.csv |
5K2D-ZMA | data/5K/5K2D-ZMA/5K2D-ZMA_ligand.pdbqt | data/5K/5K2D-ZMA/5K2D-ZMA_target.pdbqt | data/5K/5K2D-ZMA/5K2D-ZMA_decoys.pdbqt | data/5K/5K2D-ZMA/5K2D-ZMA_decoy_scores.csv |
5K2B-ZMA | data/5K/5K2B-ZMA/5K2B-ZMA_ligand.pdbqt | data/5K/5K2B-ZMA/5K2B-ZMA_target.pdbqt | data/5K/5K2B-ZMA/5K2B-ZMA_decoys.pdbqt | data/5K/5K2B-ZMA/5K2B-ZMA_decoy_scores.csv |
5KM3-U5P | data/5K/5KM3-U5P/5KM3-U5P_ligand.pdbqt | data/5K/5KM3-U5P/5KM3-U5P_target.pdbqt | data/5K/5KM3-U5P/5KM3-U5P_decoys.pdbqt | data/5K/5KM3-U5P/5KM3-U5P_decoy_scores.csv |
5K66-GLU | data/5K/5K66-GLU/5K66-GLU_ligand.pdbqt | data/5K/5K66-GLU/5K66-GLU_target.pdbqt | data/5K/5K66-GLU/5K66-GLU_decoys.pdbqt | data/5K/5K66-GLU/5K66-GLU_decoy_scores.csv |
5K9I-O44 | data/5K/5K9I-O44/5K9I-O44_ligand.pdbqt | data/5K/5K9I-O44/5K9I-O44_target.pdbqt | data/5K/5K9I-O44/5K9I-O44_decoys.pdbqt | data/5K/5K9I-O44/5K9I-O44_decoy_scores.csv |
5K0E-NHE | data/5K/5K0E-NHE/5K0E-NHE_ligand.pdbqt | data/5K/5K0E-NHE/5K0E-NHE_target.pdbqt | data/5K/5K0E-NHE/5K0E-NHE_decoys.pdbqt | data/5K/5K0E-NHE/5K0E-NHE_decoy_scores.csv |
5KLM-NAD | data/5K/5KLM-NAD/5KLM-NAD_ligand.pdbqt | data/5K/5KLM-NAD/5KLM-NAD_target.pdbqt | data/5K/5KLM-NAD/5KLM-NAD_decoys.pdbqt | data/5K/5KLM-NAD/5KLM-NAD_decoy_scores.csv |
5K8C-NAD | data/5K/5K8C-NAD/5K8C-NAD_ligand.pdbqt | data/5K/5K8C-NAD/5K8C-NAD_target.pdbqt | data/5K/5K8C-NAD/5K8C-NAD_decoys.pdbqt | data/5K/5K8C-NAD/5K8C-NAD_decoy_scores.csv |
5K0M-6PU | data/5K/5K0M-6PU/5K0M-6PU_ligand.pdbqt | data/5K/5K0M-6PU/5K0M-6PU_target.pdbqt | data/5K/5K0M-6PU/5K0M-6PU_decoys.pdbqt | data/5K/5K0M-6PU/5K0M-6PU_decoy_scores.csv |
5K2C-OLA | data/5K/5K2C-OLA/5K2C-OLA_ligand.pdbqt | data/5K/5K2C-OLA/5K2C-OLA_target.pdbqt | data/5K/5K2C-OLA/5K2C-OLA_decoys.pdbqt | data/5K/5K2C-OLA/5K2C-OLA_decoy_scores.csv |
5K5Z-ANP | data/5K/5K5Z-ANP/5K5Z-ANP_ligand.pdbqt | data/5K/5K5Z-ANP/5K5Z-ANP_target.pdbqt | data/5K/5K5Z-ANP/5K5Z-ANP_decoys.pdbqt | data/5K/5K5Z-ANP/5K5Z-ANP_decoy_scores.csv |
5KPK-6VK | data/5K/5KPK-6VK/5KPK-6VK_ligand.pdbqt | data/5K/5KPK-6VK/5KPK-6VK_target.pdbqt | data/5K/5KPK-6VK/5KPK-6VK_decoys.pdbqt | data/5K/5KPK-6VK/5KPK-6VK_decoy_scores.csv |
5KLZ-AMP | data/5K/5KLZ-AMP/5KLZ-AMP_ligand.pdbqt | data/5K/5KLZ-AMP/5KLZ-AMP_target.pdbqt | data/5K/5KLZ-AMP/5KLZ-AMP_decoys.pdbqt | data/5K/5KLZ-AMP/5KLZ-AMP_decoy_scores.csv |
5K8W-GJV | data/5K/5K8W-GJV/5K8W-GJV_ligand.pdbqt | data/5K/5K8W-GJV/5K8W-GJV_target.pdbqt | data/5K/5K8W-GJV/5K8W-GJV_decoys.pdbqt | data/5K/5K8W-GJV/5K8W-GJV_decoy_scores.csv |
5KKH-OLC | data/5K/5KKH-OLC/5KKH-OLC_ligand.pdbqt | data/5K/5KKH-OLC/5KKH-OLC_target.pdbqt | data/5K/5KKH-OLC/5KKH-OLC_decoys.pdbqt | data/5K/5KKH-OLC/5KKH-OLC_decoy_scores.csv |
5KX5-ADP | data/5K/5KX5-ADP/5KX5-ADP_ligand.pdbqt | data/5K/5KX5-ADP/5KX5-ADP_target.pdbqt | data/5K/5KX5-ADP/5KX5-ADP_decoys.pdbqt | data/5K/5KX5-ADP/5KX5-ADP_decoy_scores.csv |
5KVL-LTX | data/5K/5KVL-LTX/5KVL-LTX_ligand.pdbqt | data/5K/5KVL-LTX/5KVL-LTX_target.pdbqt | data/5K/5KVL-LTX/5KVL-LTX_decoys.pdbqt | data/5K/5KVL-LTX/5KVL-LTX_decoy_scores.csv |
5KCU-OB8 | data/5K/5KCU-OB8/5KCU-OB8_ligand.pdbqt | data/5K/5KCU-OB8/5KCU-OB8_target.pdbqt | data/5K/5KCU-OB8/5KCU-OB8_decoys.pdbqt | data/5K/5KCU-OB8/5KCU-OB8_decoy_scores.csv |
5KSN-NIZ | data/5K/5KSN-NIZ/5KSN-NIZ_ligand.pdbqt | data/5K/5KSN-NIZ/5KSN-NIZ_target.pdbqt | data/5K/5KSN-NIZ/5KSN-NIZ_decoys.pdbqt | data/5K/5KSN-NIZ/5KSN-NIZ_decoy_scores.csv |
5KP1-EQU | data/5K/5KP1-EQU/5KP1-EQU_ligand.pdbqt | data/5K/5KP1-EQU/5KP1-EQU_target.pdbqt | data/5K/5KP1-EQU/5KP1-EQU_decoys.pdbqt | data/5K/5KP1-EQU/5KP1-EQU_decoy_scores.csv |
5K9C-MLJ | data/5K/5K9C-MLJ/5K9C-MLJ_ligand.pdbqt | data/5K/5K9C-MLJ/5K9C-MLJ_target.pdbqt | data/5K/5K9C-MLJ/5K9C-MLJ_decoys.pdbqt | data/5K/5K9C-MLJ/5K9C-MLJ_decoy_scores.csv |
5K6A-6QT | data/5K/5K6A-6QT/5K6A-6QT_ligand.pdbqt | data/5K/5K6A-6QT/5K6A-6QT_target.pdbqt | data/5K/5K6A-6QT/5K6A-6QT_decoys.pdbqt | data/5K/5K6A-6QT/5K6A-6QT_decoy_scores.csv |
5KCY-XBU | data/5K/5KCY-XBU/5KCY-XBU_ligand.pdbqt | data/5K/5KCY-XBU/5KCY-XBU_target.pdbqt | data/5K/5KCY-XBU/5KCY-XBU_decoys.pdbqt | data/5K/5KCY-XBU/5KCY-XBU_decoy_scores.csv |
5KJH-SAH | data/5K/5KJH-SAH/5KJH-SAH_ligand.pdbqt | data/5K/5KJH-SAH/5KJH-SAH_target.pdbqt | data/5K/5KJH-SAH/5KJH-SAH_decoys.pdbqt | data/5K/5KJH-SAH/5KJH-SAH_decoy_scores.csv |
5KKJ-PE5 | data/5K/5KKJ-PE5/5KKJ-PE5_ligand.pdbqt | data/5K/5KKJ-PE5/5KKJ-PE5_target.pdbqt | data/5K/5KKJ-PE5/5KKJ-PE5_decoys.pdbqt | data/5K/5KKJ-PE5/5KKJ-PE5_decoy_scores.csv |
5KSZ-GCP | data/5K/5KSZ-GCP/5KSZ-GCP_ligand.pdbqt | data/5K/5KSZ-GCP/5KSZ-GCP_target.pdbqt | data/5K/5KSZ-GCP/5KSZ-GCP_decoys.pdbqt | data/5K/5KSZ-GCP/5KSZ-GCP_decoy_scores.csv |
5KSY-GDP | data/5K/5KSY-GDP/5KSY-GDP_ligand.pdbqt | data/5K/5KSY-GDP/5KSY-GDP_target.pdbqt | data/5K/5KSY-GDP/5KSY-GDP_decoys.pdbqt | data/5K/5KSY-GDP/5KSY-GDP_decoy_scores.csv |
5K2C-ZMA | data/5K/5K2C-ZMA/5K2C-ZMA_ligand.pdbqt | data/5K/5K2C-ZMA/5K2C-ZMA_target.pdbqt | data/5K/5K2C-ZMA/5K2C-ZMA_decoys.pdbqt | data/5K/5K2C-ZMA/5K2C-ZMA_decoy_scores.csv |
5KF7-NAD | data/5K/5KF7-NAD/5KF7-NAD_ligand.pdbqt | data/5K/5KF7-NAD/5KF7-NAD_target.pdbqt | data/5K/5KF7-NAD/5KF7-NAD_decoys.pdbqt | data/5K/5KF7-NAD/5KF7-NAD_decoy_scores.csv |
5K2D-OLA | data/5K/5K2D-OLA/5K2D-OLA_ligand.pdbqt | data/5K/5K2D-OLA/5K2D-OLA_target.pdbqt | data/5K/5K2D-OLA/5K2D-OLA_decoys.pdbqt | data/5K/5K2D-OLA/5K2D-OLA_decoy_scores.csv |
5KSG-NIZ | data/5K/5KSG-NIZ/5KSG-NIZ_ligand.pdbqt | data/5K/5KSG-NIZ/5KSG-NIZ_target.pdbqt | data/5K/5KSG-NIZ/5KSG-NIZ_decoys.pdbqt | data/5K/5KSG-NIZ/5KSG-NIZ_decoy_scores.csv |
5K5N-6QH | data/5K/5K5N-6QH/5K5N-6QH_ligand.pdbqt | data/5K/5K5N-6QH/5K5N-6QH_target.pdbqt | data/5K/5K5N-6QH/5K5N-6QH_decoys.pdbqt | data/5K/5K5N-6QH/5K5N-6QH_decoy_scores.csv |
5KM8-L8P | data/5K/5KM8-L8P/5KM8-L8P_ligand.pdbqt | data/5K/5KM8-L8P/5KM8-L8P_target.pdbqt | data/5K/5KM8-L8P/5KM8-L8P_decoys.pdbqt | data/5K/5KM8-L8P/5KM8-L8P_decoy_scores.csv |
5KVV-NAI | data/5K/5KVV-NAI/5KVV-NAI_ligand.pdbqt | data/5K/5KVV-NAI/5KVV-NAI_target.pdbqt | data/5K/5KVV-NAI/5KVV-NAI_decoys.pdbqt | data/5K/5KVV-NAI/5KVV-NAI_decoy_scores.csv |
5K4H-GLU | data/5K/5K4H-GLU/5K4H-GLU_ligand.pdbqt | data/5K/5K4H-GLU/5K4H-GLU_target.pdbqt | data/5K/5K4H-GLU/5K4H-GLU_decoys.pdbqt | data/5K/5K4H-GLU/5K4H-GLU_decoy_scores.csv |
5KRE-6WG | data/5K/5KRE-6WG/5KRE-6WG_ligand.pdbqt | data/5K/5KRE-6WG/5KRE-6WG_target.pdbqt | data/5K/5KRE-6WG/5KRE-6WG_decoys.pdbqt | data/5K/5KRE-6WG/5KRE-6WG_decoy_scores.csv |
5K4Z-IMP | data/5K/5K4Z-IMP/5K4Z-IMP_ligand.pdbqt | data/5K/5K4Z-IMP/5K4Z-IMP_target.pdbqt | data/5K/5K4Z-IMP/5K4Z-IMP_decoys.pdbqt | data/5K/5K4Z-IMP/5K4Z-IMP_decoy_scores.csv |
5K0R-FNR | data/5K/5K0R-FNR/5K0R-FNR_ligand.pdbqt | data/5K/5K0R-FNR/5K0R-FNR_target.pdbqt | data/5K/5K0R-FNR/5K0R-FNR_decoys.pdbqt | data/5K/5K0R-FNR/5K0R-FNR_decoy_scores.csv |
5KLO-NAD | data/5K/5KLO-NAD/5KLO-NAD_ligand.pdbqt | data/5K/5KLO-NAD/5KLO-NAD_target.pdbqt | data/5K/5KLO-NAD/5KLO-NAD_decoys.pdbqt | data/5K/5KLO-NAD/5KLO-NAD_decoy_scores.csv |
5KE2-6S4 | data/5K/5KE2-6S4/5KE2-6S4_ligand.pdbqt | data/5K/5KE2-6S4/5KE2-6S4_target.pdbqt | data/5K/5KE2-6S4/5KE2-6S4_decoys.pdbqt | data/5K/5KE2-6S4/5KE2-6S4_decoy_scores.csv |
5KB5-ADN | data/5K/5KB5-ADN/5KB5-ADN_ligand.pdbqt | data/5K/5KB5-ADN/5KB5-ADN_target.pdbqt | data/5K/5KB5-ADN/5KB5-ADN_decoys.pdbqt | data/5K/5KB5-ADN/5KB5-ADN_decoy_scores.csv |
5KO8-FMN | data/5K/5KO8-FMN/5KO8-FMN_ligand.pdbqt | data/5K/5KO8-FMN/5KO8-FMN_target.pdbqt | data/5K/5KO8-FMN/5KO8-FMN_decoys.pdbqt | data/5K/5KO8-FMN/5KO8-FMN_decoy_scores.csv |
5KWW-NHE | data/5K/5KWW-NHE/5KWW-NHE_ligand.pdbqt | data/5K/5KWW-NHE/5KWW-NHE_target.pdbqt | data/5K/5KWW-NHE/5KWW-NHE_decoys.pdbqt | data/5K/5KWW-NHE/5KWW-NHE_decoy_scores.csv |
5K94-B3P | data/5K/5K94-B3P/5K94-B3P_ligand.pdbqt | data/5K/5K94-B3P/5K94-B3P_target.pdbqt | data/5K/5K94-B3P/5K94-B3P_decoys.pdbqt | data/5K/5K94-B3P/5K94-B3P_decoy_scores.csv |
5K0R-8K6 | data/5K/5K0R-8K6/5K0R-8K6_ligand.pdbqt | data/5K/5K0R-8K6/5K0R-8K6_target.pdbqt | data/5K/5K0R-8K6/5K0R-8K6_decoys.pdbqt | data/5K/5K0R-8K6/5K0R-8K6_decoy_scores.csv |
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