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 ⌀ |
|---|---|---|---|---|
4KZ3-1U1 | data/4K/4KZ3-1U1/4KZ3-1U1_ligand.pdbqt | data/4K/4KZ3-1U1/4KZ3-1U1_target.pdbqt | data/4K/4KZ3-1U1/4KZ3-1U1_decoys.pdbqt | data/4K/4KZ3-1U1/4KZ3-1U1_decoy_scores.csv |
4KAX-GTP | data/4K/4KAX-GTP/4KAX-GTP_ligand.pdbqt | data/4K/4KAX-GTP/4KAX-GTP_target.pdbqt | data/4K/4KAX-GTP/4KAX-GTP_decoys.pdbqt | data/4K/4KAX-GTP/4KAX-GTP_decoy_scores.csv |
4K3H-1OM | data/4K/4K3H-1OM/4K3H-1OM_ligand.pdbqt | data/4K/4K3H-1OM/4K3H-1OM_target.pdbqt | data/4K/4K3H-1OM/4K3H-1OM_decoys.pdbqt | data/4K/4K3H-1OM/4K3H-1OM_decoy_scores.csv |
4K3L-PHE | data/4K/4K3L-PHE/4K3L-PHE_ligand.pdbqt | data/4K/4K3L-PHE/4K3L-PHE_target.pdbqt | data/4K/4K3L-PHE/4K3L-PHE_decoys.pdbqt | data/4K/4K3L-PHE/4K3L-PHE_decoy_scores.csv |
4KAD-1QB | data/4K/4KAD-1QB/4KAD-1QB_ligand.pdbqt | data/4K/4KAD-1QB/4KAD-1QB_target.pdbqt | data/4K/4KAD-1QB/4KAD-1QB_decoys.pdbqt | data/4K/4KAD-1QB/4KAD-1QB_decoy_scores.csv |
4KZQ-DFL | data/4K/4KZQ-DFL/4KZQ-DFL_ligand.pdbqt | data/4K/4KZQ-DFL/4KZQ-DFL_target.pdbqt | data/4K/4KZQ-DFL/4KZQ-DFL_decoys.pdbqt | data/4K/4KZQ-DFL/4KZQ-DFL_decoy_scores.csv |
4KJK-FOL | data/4K/4KJK-FOL/4KJK-FOL_ligand.pdbqt | data/4K/4KJK-FOL/4KJK-FOL_target.pdbqt | data/4K/4KJK-FOL/4KJK-FOL_decoys.pdbqt | data/4K/4KJK-FOL/4KJK-FOL_decoy_scores.csv |
4KCN-H4B | data/4K/4KCN-H4B/4KCN-H4B_ligand.pdbqt | data/4K/4KCN-H4B/4KCN-H4B_target.pdbqt | data/4K/4KCN-H4B/4KCN-H4B_decoys.pdbqt | data/4K/4KCN-H4B/4KCN-H4B_decoy_scores.csv |
4K6T-1P0 | data/4K/4K6T-1P0/4K6T-1P0_ligand.pdbqt | data/4K/4K6T-1P0/4K6T-1P0_target.pdbqt | data/4K/4K6T-1P0/4K6T-1P0_decoys.pdbqt | data/4K/4K6T-1P0/4K6T-1P0_decoy_scores.csv |
4K36-SAM | data/4K/4K36-SAM/4K36-SAM_ligand.pdbqt | data/4K/4K36-SAM/4K36-SAM_target.pdbqt | data/4K/4K36-SAM/4K36-SAM_decoys.pdbqt | data/4K/4K36-SAM/4K36-SAM_decoy_scores.csv |
4KCJ-H36 | data/4K/4KCJ-H36/4KCJ-H36_ligand.pdbqt | data/4K/4KCJ-H36/4KCJ-H36_target.pdbqt | data/4K/4KCJ-H36/4KCJ-H36_decoys.pdbqt | data/4K/4KCJ-H36/4KCJ-H36_decoy_scores.csv |
4KRV-UDH | data/4K/4KRV-UDH/4KRV-UDH_ligand.pdbqt | data/4K/4KRV-UDH/4KRV-UDH_target.pdbqt | data/4K/4KRV-UDH/4KRV-UDH_decoys.pdbqt | data/4K/4KRV-UDH/4KRV-UDH_decoy_scores.csv |
4KBK-1QG | data/4K/4KBK-1QG/4KBK-1QG_ligand.pdbqt | data/4K/4KBK-1QG/4KBK-1QG_target.pdbqt | data/4K/4KBK-1QG/4KBK-1QG_decoys.pdbqt | data/4K/4KBK-1QG/4KBK-1QG_decoy_scores.csv |
4KJL-FOL | data/4K/4KJL-FOL/4KJL-FOL_ligand.pdbqt | data/4K/4KJL-FOL/4KJL-FOL_target.pdbqt | data/4K/4KJL-FOL/4KJL-FOL_decoys.pdbqt | data/4K/4KJL-FOL/4KJL-FOL_decoy_scores.csv |
4K1C-OLC | data/4K/4K1C-OLC/4K1C-OLC_ligand.pdbqt | data/4K/4K1C-OLC/4K1C-OLC_target.pdbqt | data/4K/4K1C-OLC/4K1C-OLC_decoys.pdbqt | data/4K/4K1C-OLC/4K1C-OLC_decoy_scores.csv |
4KY2-1W3 | data/4K/4KY2-1W3/4KY2-1W3_ligand.pdbqt | data/4K/4KY2-1W3/4KY2-1W3_target.pdbqt | data/4K/4KY2-1W3/4KY2-1W3_decoys.pdbqt | data/4K/4KY2-1W3/4KY2-1W3_decoy_scores.csv |
4KNJ-E1F | data/4K/4KNJ-E1F/4KNJ-E1F_ligand.pdbqt | data/4K/4KNJ-E1F/4KNJ-E1F_target.pdbqt | data/4K/4KNJ-E1F/4KNJ-E1F_decoys.pdbqt | data/4K/4KNJ-E1F/4KNJ-E1F_decoy_scores.csv |
4KU0-STE | data/4K/4KU0-STE/4KU0-STE_ligand.pdbqt | data/4K/4KU0-STE/4KU0-STE_target.pdbqt | data/4K/4KU0-STE/4KU0-STE_decoys.pdbqt | data/4K/4KU0-STE/4KU0-STE_decoy_scores.csv |
4KF3-PE4 | data/4K/4KF3-PE4/4KF3-PE4_ligand.pdbqt | data/4K/4KF3-PE4/4KF3-PE4_target.pdbqt | data/4K/4KF3-PE4/4KF3-PE4_decoys.pdbqt | data/4K/4KF3-PE4/4KF3-PE4_decoy_scores.csv |
4K0B-SAM | data/4K/4K0B-SAM/4K0B-SAM_ligand.pdbqt | data/4K/4K0B-SAM/4K0B-SAM_target.pdbqt | data/4K/4K0B-SAM/4K0B-SAM_decoys.pdbqt | data/4K/4K0B-SAM/4K0B-SAM_decoy_scores.csv |
4KFQ-KFQ | data/4K/4KFQ-KFQ/4KFQ-KFQ_ligand.pdbqt | data/4K/4KFQ-KFQ/4KFQ-KFQ_target.pdbqt | data/4K/4KFQ-KFQ/4KFQ-KFQ_decoys.pdbqt | data/4K/4KFQ-KFQ/4KFQ-KFQ_decoy_scores.csv |
4KYS-VIB | data/4K/4KYS-VIB/4KYS-VIB_ligand.pdbqt | data/4K/4KYS-VIB/4KYS-VIB_target.pdbqt | data/4K/4KYS-VIB/4KYS-VIB_decoys.pdbqt | data/4K/4KYS-VIB/4KYS-VIB_decoy_scores.csv |
4KIB-56D | data/4K/4KIB-56D/4KIB-56D_ligand.pdbqt | data/4K/4KIB-56D/4KIB-56D_target.pdbqt | data/4K/4KIB-56D/4KIB-56D_decoys.pdbqt | data/4K/4KIB-56D/4KIB-56D_decoy_scores.csv |
4K11-0J9 | data/4K/4K11-0J9/4K11-0J9_ligand.pdbqt | data/4K/4K11-0J9/4K11-0J9_target.pdbqt | data/4K/4K11-0J9/4K11-0J9_decoys.pdbqt | data/4K/4K11-0J9/4K11-0J9_decoy_scores.csv |
4KEW-1C6 | data/4K/4KEW-1C6/4KEW-1C6_ligand.pdbqt | data/4K/4KEW-1C6/4KEW-1C6_target.pdbqt | data/4K/4KEW-1C6/4KEW-1C6_decoys.pdbqt | data/4K/4KEW-1C6/4KEW-1C6_decoy_scores.csv |
4KIU-KIU | data/4K/4KIU-KIU/4KIU-KIU_ligand.pdbqt | data/4K/4KIU-KIU/4KIU-KIU_target.pdbqt | data/4K/4KIU-KIU/4KIU-KIU_decoys.pdbqt | data/4K/4KIU-KIU/4KIU-KIU_decoy_scores.csv |
4K8C-ADP | data/4K/4K8C-ADP/4K8C-ADP_ligand.pdbqt | data/4K/4K8C-ADP/4K8C-ADP_target.pdbqt | data/4K/4K8C-ADP/4K8C-ADP_decoys.pdbqt | data/4K/4K8C-ADP/4K8C-ADP_decoy_scores.csv |
4K39-SAM | data/4K/4K39-SAM/4K39-SAM_ligand.pdbqt | data/4K/4K39-SAM/4K39-SAM_target.pdbqt | data/4K/4K39-SAM/4K39-SAM_decoys.pdbqt | data/4K/4K39-SAM/4K39-SAM_decoy_scores.csv |
4KXV-DX5 | data/4K/4KXV-DX5/4KXV-DX5_ligand.pdbqt | data/4K/4KXV-DX5/4KXV-DX5_target.pdbqt | data/4K/4KXV-DX5/4KXV-DX5_decoys.pdbqt | data/4K/4KXV-DX5/4KXV-DX5_decoy_scores.csv |
4K0S-AZM | data/4K/4K0S-AZM/4K0S-AZM_ligand.pdbqt | data/4K/4K0S-AZM/4K0S-AZM_target.pdbqt | data/4K/4K0S-AZM/4K0S-AZM_decoys.pdbqt | data/4K/4K0S-AZM/4K0S-AZM_decoy_scores.csv |
4KR5-PE4 | data/4K/4KR5-PE4/4KR5-PE4_ligand.pdbqt | data/4K/4KR5-PE4/4KR5-PE4_target.pdbqt | data/4K/4KR5-PE4/4KR5-PE4_decoys.pdbqt | data/4K/4KR5-PE4/4KR5-PE4_decoy_scores.csv |
4KV0-MB7 | data/4K/4KV0-MB7/4KV0-MB7_ligand.pdbqt | data/4K/4KV0-MB7/4KV0-MB7_target.pdbqt | data/4K/4KV0-MB7/4KV0-MB7_decoys.pdbqt | data/4K/4KV0-MB7/4KV0-MB7_decoy_scores.csv |
4KXY-1U0 | data/4K/4KXY-1U0/4KXY-1U0_ligand.pdbqt | data/4K/4KXY-1U0/4KXY-1U0_target.pdbqt | data/4K/4KXY-1U0/4KXY-1U0_decoys.pdbqt | data/4K/4KXY-1U0/4KXY-1U0_decoy_scores.csv |
4KS4-1SN | data/4K/4KS4-1SN/4KS4-1SN_ligand.pdbqt | data/4K/4KS4-1SN/4KS4-1SN_target.pdbqt | data/4K/4KS4-1SN/4KS4-1SN_decoys.pdbqt | data/4K/4KS4-1SN/4KS4-1SN_decoy_scores.csv |
4KVG-GTP | data/4K/4KVG-GTP/4KVG-GTP_ligand.pdbqt | data/4K/4KVG-GTP/4KVG-GTP_target.pdbqt | data/4K/4KVG-GTP/4KVG-GTP_decoys.pdbqt | data/4K/4KVG-GTP/4KVG-GTP_decoy_scores.csv |
4KJU-1RH | data/4K/4KJU-1RH/4KJU-1RH_ligand.pdbqt | data/4K/4KJU-1RH/4KJU-1RH_target.pdbqt | data/4K/4KJU-1RH/4KJU-1RH_decoys.pdbqt | data/4K/4KJU-1RH/4KJU-1RH_decoy_scores.csv |
4KFN-1QR | data/4K/4KFN-1QR/4KFN-1QR_ligand.pdbqt | data/4K/4KFN-1QR/4KFN-1QR_target.pdbqt | data/4K/4KFN-1QR/4KFN-1QR_decoys.pdbqt | data/4K/4KFN-1QR/4KFN-1QR_decoy_scores.csv |
4KCK-H4B | data/4K/4KCK-H4B/4KCK-H4B_ligand.pdbqt | data/4K/4KCK-H4B/4KCK-H4B_target.pdbqt | data/4K/4KCK-H4B/4KCK-H4B_decoys.pdbqt | data/4K/4KCK-H4B/4KCK-H4B_decoy_scores.csv |
4K6R-ATP | data/4K/4K6R-ATP/4K6R-ATP_ligand.pdbqt | data/4K/4K6R-ATP/4K6R-ATP_target.pdbqt | data/4K/4K6R-ATP/4K6R-ATP_decoys.pdbqt | data/4K/4K6R-ATP/4K6R-ATP_decoy_scores.csv |
4K8E-FMN | data/4K/4K8E-FMN/4K8E-FMN_ligand.pdbqt | data/4K/4K8E-FMN/4K8E-FMN_target.pdbqt | data/4K/4K8E-FMN/4K8E-FMN_decoys.pdbqt | data/4K/4K8E-FMN/4K8E-FMN_decoy_scores.csv |
4KPT-P6G | data/4K/4KPT-P6G/4KPT-P6G_ligand.pdbqt | data/4K/4KPT-P6G/4KPT-P6G_target.pdbqt | data/4K/4KPT-P6G/4KPT-P6G_decoys.pdbqt | data/4K/4KPT-P6G/4KPT-P6G_decoy_scores.csv |
4KCT-FDP | data/4K/4KCT-FDP/4KCT-FDP_ligand.pdbqt | data/4K/4KCT-FDP/4KCT-FDP_target.pdbqt | data/4K/4KCT-FDP/4KCT-FDP_decoys.pdbqt | data/4K/4KCT-FDP/4KCT-FDP_decoy_scores.csv |
4K8T-ADN | data/4K/4K8T-ADN/4K8T-ADN_ligand.pdbqt | data/4K/4K8T-ADN/4K8T-ADN_target.pdbqt | data/4K/4K8T-ADN/4K8T-ADN_decoys.pdbqt | data/4K/4K8T-ADN/4K8T-ADN_decoy_scores.csv |
4KTR-IFM | data/4K/4KTR-IFM/4KTR-IFM_ligand.pdbqt | data/4K/4KTR-IFM/4KTR-IFM_target.pdbqt | data/4K/4KTR-IFM/4KTR-IFM_decoys.pdbqt | data/4K/4KTR-IFM/4KTR-IFM_decoy_scores.csv |
4KR5-P6G | data/4K/4KR5-P6G/4KR5-P6G_ligand.pdbqt | data/4K/4KR5-P6G/4KR5-P6G_target.pdbqt | data/4K/4KR5-P6G/4KR5-P6G_decoys.pdbqt | data/4K/4KR5-P6G/4KR5-P6G_decoy_scores.csv |
4K0Y-1OA | data/4K/4K0Y-1OA/4K0Y-1OA_ligand.pdbqt | data/4K/4K0Y-1OA/4K0Y-1OA_target.pdbqt | data/4K/4K0Y-1OA/4K0Y-1OA_decoys.pdbqt | data/4K/4K0Y-1OA/4K0Y-1OA_decoy_scores.csv |
4KKE-AMP | data/4K/4KKE-AMP/4KKE-AMP_ligand.pdbqt | data/4K/4KKE-AMP/4KKE-AMP_target.pdbqt | data/4K/4KKE-AMP/4KKE-AMP_decoys.pdbqt | data/4K/4KKE-AMP/4KKE-AMP_decoy_scores.csv |
4KTF-1TM | data/4K/4KTF-1TM/4KTF-1TM_ligand.pdbqt | data/4K/4KTF-1TM/4KTF-1TM_target.pdbqt | data/4K/4KTF-1TM/4KTF-1TM_decoys.pdbqt | data/4K/4KTF-1TM/4KTF-1TM_decoy_scores.csv |
4KCN-MTL | data/4K/4KCN-MTL/4KCN-MTL_ligand.pdbqt | data/4K/4KCN-MTL/4KCN-MTL_target.pdbqt | data/4K/4KCN-MTL/4KCN-MTL_decoys.pdbqt | data/4K/4KCN-MTL/4KCN-MTL_decoy_scores.csv |
4KU0-ELA | data/4K/4KU0-ELA/4KU0-ELA_ligand.pdbqt | data/4K/4KU0-ELA/4KU0-ELA_target.pdbqt | data/4K/4KU0-ELA/4KU0-ELA_decoys.pdbqt | data/4K/4KU0-ELA/4KU0-ELA_decoy_scores.csv |
4KCP-H4B | data/4K/4KCP-H4B/4KCP-H4B_ligand.pdbqt | data/4K/4KCP-H4B/4KCP-H4B_target.pdbqt | null | null |
4K2S-GCO | data/4K/4K2S-GCO/4K2S-GCO_ligand.pdbqt | data/4K/4K2S-GCO/4K2S-GCO_target.pdbqt | data/4K/4K2S-GCO/4K2S-GCO_decoys.pdbqt | data/4K/4K2S-GCO/4K2S-GCO_decoy_scores.csv |
4KTN-MJU | data/4K/4KTN-MJU/4KTN-MJU_ligand.pdbqt | data/4K/4KTN-MJU/4KTN-MJU_target.pdbqt | data/4K/4KTN-MJU/4KTN-MJU_decoys.pdbqt | data/4K/4KTN-MJU/4KTN-MJU_decoy_scores.csv |
4K28-NAD | data/4K/4K28-NAD/4K28-NAD_ligand.pdbqt | data/4K/4K28-NAD/4K28-NAD_target.pdbqt | data/4K/4K28-NAD/4K28-NAD_decoys.pdbqt | data/4K/4K28-NAD/4K28-NAD_decoy_scores.csv |
4KHV-THP | data/4K/4KHV-THP/4KHV-THP_ligand.pdbqt | data/4K/4KHV-THP/4KHV-THP_target.pdbqt | data/4K/4KHV-THP/4KHV-THP_decoys.pdbqt | data/4K/4KHV-THP/4KHV-THP_decoy_scores.csv |
4KZW-FLC | data/4K/4KZW-FLC/4KZW-FLC_ligand.pdbqt | data/4K/4KZW-FLC/4KZW-FLC_target.pdbqt | data/4K/4KZW-FLC/4KZW-FLC_decoys.pdbqt | data/4K/4KZW-FLC/4KZW-FLC_decoy_scores.csv |
4KUX-FPS | data/4K/4KUX-FPS/4KUX-FPS_ligand.pdbqt | data/4K/4KUX-FPS/4KUX-FPS_target.pdbqt | data/4K/4KUX-FPS/4KUX-FPS_decoys.pdbqt | data/4K/4KUX-FPS/4KUX-FPS_decoy_scores.csv |
4K5D-H4B | data/4K/4K5D-H4B/4K5D-H4B_ligand.pdbqt | data/4K/4K5D-H4B/4K5D-H4B_target.pdbqt | data/4K/4K5D-H4B/4K5D-H4B_decoys.pdbqt | data/4K/4K5D-H4B/4K5D-H4B_decoy_scores.csv |
4KZU-A73 | data/4K/4KZU-A73/4KZU-A73_ligand.pdbqt | data/4K/4KZU-A73/4KZU-A73_target.pdbqt | data/4K/4KZU-A73/4KZU-A73_decoys.pdbqt | data/4K/4KZU-A73/4KZU-A73_decoy_scores.csv |
4KBN-25U | data/4K/4KBN-25U/4KBN-25U_ligand.pdbqt | data/4K/4KBN-25U/4KBN-25U_target.pdbqt | data/4K/4KBN-25U/4KBN-25U_decoys.pdbqt | data/4K/4KBN-25U/4KBN-25U_decoy_scores.csv |
4K46-ADP | data/4K/4K46-ADP/4K46-ADP_ligand.pdbqt | data/4K/4K46-ADP/4K46-ADP_target.pdbqt | data/4K/4K46-ADP/4K46-ADP_decoys.pdbqt | data/4K/4K46-ADP/4K46-ADP_decoy_scores.csv |
4KAC-PE4 | data/4K/4KAC-PE4/4KAC-PE4_ligand.pdbqt | data/4K/4KAC-PE4/4KAC-PE4_target.pdbqt | data/4K/4KAC-PE4/4KAC-PE4_decoys.pdbqt | data/4K/4KAC-PE4/4KAC-PE4_decoy_scores.csv |
4KB8-1QN | data/4K/4KB8-1QN/4KB8-1QN_ligand.pdbqt | data/4K/4KB8-1QN/4KB8-1QN_target.pdbqt | data/4K/4KB8-1QN/4KB8-1QN_decoys.pdbqt | data/4K/4KB8-1QN/4KB8-1QN_decoy_scores.csv |
4K9H-1QU | data/4K/4K9H-1QU/4K9H-1QU_ligand.pdbqt | data/4K/4K9H-1QU/4K9H-1QU_target.pdbqt | data/4K/4K9H-1QU/4K9H-1QU_decoys.pdbqt | data/4K/4K9H-1QU/4K9H-1QU_decoy_scores.csv |
4K6B-GLU | data/4K/4K6B-GLU/4K6B-GLU_ligand.pdbqt | data/4K/4K6B-GLU/4K6B-GLU_target.pdbqt | data/4K/4K6B-GLU/4K6B-GLU_decoys.pdbqt | data/4K/4K6B-GLU/4K6B-GLU_decoy_scores.csv |
4KC2-WS2 | data/4K/4KC2-WS2/4KC2-WS2_ligand.pdbqt | data/4K/4KC2-WS2/4KC2-WS2_target.pdbqt | data/4K/4KC2-WS2/4KC2-WS2_decoys.pdbqt | data/4K/4KC2-WS2/4KC2-WS2_decoy_scores.csv |
4KQI-RBZ | data/4K/4KQI-RBZ/4KQI-RBZ_ligand.pdbqt | data/4K/4KQI-RBZ/4KQI-RBZ_target.pdbqt | data/4K/4KQI-RBZ/4KQI-RBZ_decoys.pdbqt | data/4K/4KQI-RBZ/4KQI-RBZ_decoy_scores.csv |
4K5F-H4B | data/4K/4K5F-H4B/4K5F-H4B_ligand.pdbqt | data/4K/4K5F-H4B/4K5F-H4B_target.pdbqt | data/4K/4K5F-H4B/4K5F-H4B_decoys.pdbqt | data/4K/4K5F-H4B/4K5F-H4B_decoy_scores.csv |
4KFU-FLC | data/4K/4KFU-FLC/4KFU-FLC_ligand.pdbqt | data/4K/4KFU-FLC/4KFU-FLC_target.pdbqt | data/4K/4KFU-FLC/4KFU-FLC_decoys.pdbqt | data/4K/4KFU-FLC/4KFU-FLC_decoy_scores.csv |
4KPD-RIS | data/4K/4KPD-RIS/4KPD-RIS_ligand.pdbqt | data/4K/4KPD-RIS/4KPD-RIS_target.pdbqt | data/4K/4KPD-RIS/4KPD-RIS_decoys.pdbqt | data/4K/4KPD-RIS/4KPD-RIS_decoy_scores.csv |
4KNI-E1E | data/4K/4KNI-E1E/4KNI-E1E_ligand.pdbqt | data/4K/4KNI-E1E/4KNI-E1E_target.pdbqt | data/4K/4KNI-E1E/4KNI-E1E_decoys.pdbqt | data/4K/4KNI-E1E/4KNI-E1E_decoy_scores.csv |
4KPA-140 | data/4K/4KPA-140/4KPA-140_ligand.pdbqt | data/4K/4KPA-140/4KPA-140_target.pdbqt | data/4K/4KPA-140/4KPA-140_decoys.pdbqt | data/4K/4KPA-140/4KPA-140_decoy_scores.csv |
4K0T-D9Z | data/4K/4K0T-D9Z/4K0T-D9Z_ligand.pdbqt | data/4K/4K0T-D9Z/4K0T-D9Z_target.pdbqt | data/4K/4K0T-D9Z/4K0T-D9Z_decoys.pdbqt | data/4K/4K0T-D9Z/4K0T-D9Z_decoy_scores.csv |
4KKY-CAM | data/4K/4KKY-CAM/4KKY-CAM_ligand.pdbqt | data/4K/4KKY-CAM/4KKY-CAM_target.pdbqt | data/4K/4KKY-CAM/4KKY-CAM_decoys.pdbqt | data/4K/4KKY-CAM/4KKY-CAM_decoy_scores.csv |
4KGX-CTP | data/4K/4KGX-CTP/4KGX-CTP_ligand.pdbqt | data/4K/4KGX-CTP/4KGX-CTP_target.pdbqt | data/4K/4KGX-CTP/4KGX-CTP_decoys.pdbqt | data/4K/4KGX-CTP/4KGX-CTP_decoy_scores.csv |
4KM0-ATR | data/4K/4KM0-ATR/4KM0-ATR_ligand.pdbqt | data/4K/4KM0-ATR/4KM0-ATR_target.pdbqt | data/4K/4KM0-ATR/4KM0-ATR_decoys.pdbqt | data/4K/4KM0-ATR/4KM0-ATR_decoy_scores.csv |
4KOV-KOV | data/4K/4KOV-KOV/4KOV-KOV_ligand.pdbqt | data/4K/4KOV-KOV/4KOV-KOV_target.pdbqt | data/4K/4KOV-KOV/4KOV-KOV_decoys.pdbqt | data/4K/4KOV-KOV/4KOV-KOV_decoy_scores.csv |
4KV9-GDP | data/4K/4KV9-GDP/4KV9-GDP_ligand.pdbqt | data/4K/4KV9-GDP/4KV9-GDP_target.pdbqt | data/4K/4KV9-GDP/4KV9-GDP_decoys.pdbqt | data/4K/4KV9-GDP/4KV9-GDP_decoy_scores.csv |
4KZL-20D | data/4K/4KZL-20D/4KZL-20D_ligand.pdbqt | data/4K/4KZL-20D/4KZL-20D_target.pdbqt | data/4K/4KZL-20D/4KZL-20D_decoys.pdbqt | data/4K/4KZL-20D/4KZL-20D_decoy_scores.csv |
4KUK-RBF | data/4K/4KUK-RBF/4KUK-RBF_ligand.pdbqt | data/4K/4KUK-RBF/4KUK-RBF_target.pdbqt | data/4K/4KUK-RBF/4KUK-RBF_decoys.pdbqt | data/4K/4KUK-RBF/4KUK-RBF_decoy_scores.csv |
4KP7-1UQ | data/4K/4KP7-1UQ/4KP7-1UQ_ligand.pdbqt | data/4K/4KP7-1UQ/4KP7-1UQ_target.pdbqt | data/4K/4KP7-1UQ/4KP7-1UQ_decoys.pdbqt | data/4K/4KP7-1UQ/4KP7-1UQ_decoy_scores.csv |
4K7A-DHT | data/4K/4K7A-DHT/4K7A-DHT_ligand.pdbqt | data/4K/4K7A-DHT/4K7A-DHT_target.pdbqt | data/4K/4K7A-DHT/4K7A-DHT_decoys.pdbqt | data/4K/4K7A-DHT/4K7A-DHT_decoy_scores.csv |
4KBE-BZE | data/4K/4KBE-BZE/4KBE-BZE_ligand.pdbqt | data/4K/4KBE-BZE/4KBE-BZE_target.pdbqt | data/4K/4KBE-BZE/4KBE-BZE_decoys.pdbqt | data/4K/4KBE-BZE/4KBE-BZE_decoy_scores.csv |
4KCI-1QE | data/4K/4KCI-1QE/4KCI-1QE_ligand.pdbqt | data/4K/4KCI-1QE/4KCI-1QE_target.pdbqt | data/4K/4KCI-1QE/4KCI-1QE_decoys.pdbqt | data/4K/4KCI-1QE/4KCI-1QE_decoy_scores.csv |
4KVJ-DMU | data/4K/4KVJ-DMU/4KVJ-DMU_ligand.pdbqt | data/4K/4KVJ-DMU/4KVJ-DMU_target.pdbqt | data/4K/4KVJ-DMU/4KVJ-DMU_decoys.pdbqt | data/4K/4KVJ-DMU/4KVJ-DMU_decoy_scores.csv |
4K7Y-FMN | data/4K/4K7Y-FMN/4K7Y-FMN_ligand.pdbqt | data/4K/4K7Y-FMN/4K7Y-FMN_target.pdbqt | data/4K/4K7Y-FMN/4K7Y-FMN_decoys.pdbqt | data/4K/4K7Y-FMN/4K7Y-FMN_decoy_scores.csv |
4KGZ-UTP | data/4K/4KGZ-UTP/4KGZ-UTP_ligand.pdbqt | data/4K/4KGZ-UTP/4KGZ-UTP_target.pdbqt | data/4K/4KGZ-UTP/4KGZ-UTP_decoys.pdbqt | data/4K/4KGZ-UTP/4KGZ-UTP_decoy_scores.csv |
4KP8-E1G | data/4K/4KP8-E1G/4KP8-E1G_ligand.pdbqt | data/4K/4KP8-E1G/4KP8-E1G_target.pdbqt | data/4K/4KP8-E1G/4KP8-E1G_decoys.pdbqt | data/4K/4KP8-E1G/4KP8-E1G_decoy_scores.csv |
4KRU-NDG | data/4K/4KRU-NDG/4KRU-NDG_ligand.pdbqt | data/4K/4KRU-NDG/4KRU-NDG_target.pdbqt | data/4K/4KRU-NDG/4KRU-NDG_decoys.pdbqt | data/4K/4KRU-NDG/4KRU-NDG_decoy_scores.csv |
4K8S-1QT | data/4K/4K8S-1QT/4K8S-1QT_ligand.pdbqt | data/4K/4K8S-1QT/4K8S-1QT_target.pdbqt | data/4K/4K8S-1QT/4K8S-1QT_decoys.pdbqt | data/4K/4K8S-1QT/4K8S-1QT_decoy_scores.csv |
4K5P-1OS | data/4K/4K5P-1OS/4K5P-1OS_ligand.pdbqt | data/4K/4K5P-1OS/4K5P-1OS_target.pdbqt | data/4K/4K5P-1OS/4K5P-1OS_decoys.pdbqt | data/4K/4K5P-1OS/4K5P-1OS_decoy_scores.csv |
4KCL-H44 | data/4K/4KCL-H44/4KCL-H44_ligand.pdbqt | data/4K/4KCL-H44/4KCL-H44_target.pdbqt | data/4K/4KCL-H44/4KCL-H44_decoys.pdbqt | data/4K/4KCL-H44/4KCL-H44_decoy_scores.csv |
4KP6-1S1 | data/4K/4KP6-1S1/4KP6-1S1_ligand.pdbqt | data/4K/4KP6-1S1/4KP6-1S1_target.pdbqt | data/4K/4KP6-1S1/4KP6-1S1_decoys.pdbqt | data/4K/4KP6-1S1/4KP6-1S1_decoy_scores.csv |
4KKY-1T4 | data/4K/4KKY-1T4/4KKY-1T4_ligand.pdbqt | data/4K/4KKY-1T4/4KKY-1T4_target.pdbqt | data/4K/4KKY-1T4/4KKY-1T4_decoys.pdbqt | data/4K/4KKY-1T4/4KKY-1T4_decoy_scores.csv |
4KIC-PPY | data/4K/4KIC-PPY/4KIC-PPY_ligand.pdbqt | data/4K/4KIC-PPY/4KIC-PPY_target.pdbqt | data/4K/4KIC-PPY/4KIC-PPY_decoys.pdbqt | data/4K/4KIC-PPY/4KIC-PPY_decoy_scores.csv |
4KAP-1QV | data/4K/4KAP-1QV/4KAP-1QV_ligand.pdbqt | data/4K/4KAP-1QV/4KAP-1QV_target.pdbqt | data/4K/4KAP-1QV/4KAP-1QV_decoys.pdbqt | data/4K/4KAP-1QV/4KAP-1QV_decoy_scores.csv |
4KD3-THP | data/4K/4KD3-THP/4KD3-THP_ligand.pdbqt | data/4K/4KD3-THP/4KD3-THP_target.pdbqt | data/4K/4KD3-THP/4KD3-THP_decoys.pdbqt | data/4K/4KD3-THP/4KD3-THP_decoy_scores.csv |
4K9C-1Q8 | data/4K/4K9C-1Q8/4K9C-1Q8_ligand.pdbqt | data/4K/4K9C-1Q8/4K9C-1Q8_target.pdbqt | data/4K/4K9C-1Q8/4K9C-1Q8_decoys.pdbqt | data/4K/4K9C-1Q8/4K9C-1Q8_decoy_scores.csv |
4KB9-G79 | data/4K/4KB9-G79/4KB9-G79_ligand.pdbqt | data/4K/4KB9-G79/4KB9-G79_target.pdbqt | data/4K/4KB9-G79/4KB9-G79_decoys.pdbqt | data/4K/4KB9-G79/4KB9-G79_decoy_scores.csv |
4KNE-1CY | data/4K/4KNE-1CY/4KNE-1CY_ligand.pdbqt | data/4K/4KNE-1CY/4KNE-1CY_target.pdbqt | data/4K/4KNE-1CY/4KNE-1CY_decoys.pdbqt | data/4K/4KNE-1CY/4KNE-1CY_decoy_scores.csv |
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