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 ⌀ |
|---|---|---|---|---|
6VD1-MPO | data/6V/6VD1-MPO/6VD1-MPO_ligand.pdbqt | data/6V/6VD1-MPO/6VD1-MPO_target.pdbqt | data/6V/6VD1-MPO/6VD1-MPO_decoys.pdbqt | data/6V/6VD1-MPO/6VD1-MPO_decoy_scores.csv |
6VYD-BTM | data/6V/6VYD-BTM/6VYD-BTM_ligand.pdbqt | data/6V/6VYD-BTM/6VYD-BTM_target.pdbqt | data/6V/6VYD-BTM/6VYD-BTM_decoys.pdbqt | data/6V/6VYD-BTM/6VYD-BTM_decoy_scores.csv |
6VKD-R0P | data/6V/6VKD-R0P/6VKD-R0P_ligand.pdbqt | data/6V/6VKD-R0P/6VKD-R0P_target.pdbqt | data/6V/6VKD-R0P/6VKD-R0P_decoys.pdbqt | data/6V/6VKD-R0P/6VKD-R0P_decoy_scores.csv |
6VNG-R6M | data/6V/6VNG-R6M/6VNG-R6M_ligand.pdbqt | data/6V/6VNG-R6M/6VNG-R6M_target.pdbqt | data/6V/6VNG-R6M/6VNG-R6M_decoys.pdbqt | data/6V/6VNG-R6M/6VNG-R6M_decoy_scores.csv |
6VPU-P6G | data/6V/6VPU-P6G/6VPU-P6G_ligand.pdbqt | data/6V/6VPU-P6G/6VPU-P6G_target.pdbqt | data/6V/6VPU-P6G/6VPU-P6G_decoys.pdbqt | data/6V/6VPU-P6G/6VPU-P6G_decoy_scores.csv |
6VA5-QSS | data/6V/6VA5-QSS/6VA5-QSS_ligand.pdbqt | data/6V/6VA5-QSS/6VA5-QSS_target.pdbqt | data/6V/6VA5-QSS/6VA5-QSS_decoys.pdbqt | data/6V/6VA5-QSS/6VA5-QSS_decoy_scores.csv |
6VV7-RPM | data/6V/6VV7-RPM/6VV7-RPM_ligand.pdbqt | data/6V/6VV7-RPM/6VV7-RPM_target.pdbqt | data/6V/6VV7-RPM/6VV7-RPM_decoys.pdbqt | data/6V/6VV7-RPM/6VV7-RPM_decoy_scores.csv |
6VZV-S37 | data/6V/6VZV-S37/6VZV-S37_ligand.pdbqt | data/6V/6VZV-S37/6VZV-S37_target.pdbqt | data/6V/6VZV-S37/6VZV-S37_decoys.pdbqt | data/6V/6VZV-S37/6VZV-S37_decoy_scores.csv |
6VQS-R7J | data/6V/6VQS-R7J/6VQS-R7J_ligand.pdbqt | data/6V/6VQS-R7J/6VQS-R7J_target.pdbqt | data/6V/6VQS-R7J/6VQS-R7J_decoys.pdbqt | data/6V/6VQS-R7J/6VQS-R7J_decoy_scores.csv |
6VWQ-RQJ | data/6V/6VWQ-RQJ/6VWQ-RQJ_ligand.pdbqt | data/6V/6VWQ-RQJ/6VWQ-RQJ_target.pdbqt | null | null |
6V6X-QQ4 | data/6V/6V6X-QQ4/6V6X-QQ4_ligand.pdbqt | data/6V/6V6X-QQ4/6V6X-QQ4_target.pdbqt | data/6V/6V6X-QQ4/6V6X-QQ4_decoys.pdbqt | data/6V/6V6X-QQ4/6V6X-QQ4_decoy_scores.csv |
6V1K-5SW | data/6V/6V1K-5SW/6V1K-5SW_ligand.pdbqt | data/6V/6V1K-5SW/6V1K-5SW_target.pdbqt | data/6V/6V1K-5SW/6V1K-5SW_decoys.pdbqt | data/6V/6V1K-5SW/6V1K-5SW_decoy_scores.csv |
6VCR-CTP | data/6V/6VCR-CTP/6VCR-CTP_ligand.pdbqt | data/6V/6VCR-CTP/6VCR-CTP_target.pdbqt | data/6V/6VCR-CTP/6VCR-CTP_decoys.pdbqt | data/6V/6VCR-CTP/6VCR-CTP_decoy_scores.csv |
6V9M-GNP | data/6V/6V9M-GNP/6V9M-GNP_ligand.pdbqt | data/6V/6V9M-GNP/6V9M-GNP_target.pdbqt | data/6V/6V9M-GNP/6V9M-GNP_decoys.pdbqt | data/6V/6V9M-GNP/6V9M-GNP_decoy_scores.csv |
6VX2-RQG | data/6V/6VX2-RQG/6VX2-RQG_ligand.pdbqt | data/6V/6VX2-RQG/6VX2-RQG_target.pdbqt | data/6V/6VX2-RQG/6VX2-RQG_decoys.pdbqt | data/6V/6VX2-RQG/6VX2-RQG_decoy_scores.csv |
6VWO-ADP | data/6V/6VWO-ADP/6VWO-ADP_ligand.pdbqt | data/6V/6VWO-ADP/6VWO-ADP_target.pdbqt | data/6V/6VWO-ADP/6VWO-ADP_decoys.pdbqt | data/6V/6VWO-ADP/6VWO-ADP_decoy_scores.csv |
6VVG-AMP | data/6V/6VVG-AMP/6VVG-AMP_ligand.pdbqt | data/6V/6VVG-AMP/6VVG-AMP_target.pdbqt | data/6V/6VVG-AMP/6VVG-AMP_decoys.pdbqt | data/6V/6VVG-AMP/6VVG-AMP_decoy_scores.csv |
6VNF-R6S | data/6V/6VNF-R6S/6VNF-R6S_ligand.pdbqt | data/6V/6VNF-R6S/6VNF-R6S_target.pdbqt | data/6V/6VNF-R6S/6VNF-R6S_decoys.pdbqt | data/6V/6VNF-R6S/6VNF-R6S_decoy_scores.csv |
6V6U-GDP | data/6V/6V6U-GDP/6V6U-GDP_ligand.pdbqt | data/6V/6V6U-GDP/6V6U-GDP_target.pdbqt | data/6V/6V6U-GDP/6V6U-GDP_decoys.pdbqt | data/6V/6V6U-GDP/6V6U-GDP_decoy_scores.csv |
6VL4-QY1 | data/6V/6VL4-QY1/6VL4-QY1_ligand.pdbqt | data/6V/6VL4-QY1/6VL4-QY1_target.pdbqt | data/6V/6VL4-QY1/6VL4-QY1_decoys.pdbqt | data/6V/6VL4-QY1/6VL4-QY1_decoy_scores.csv |
6V9O-QTA | data/6V/6V9O-QTA/6V9O-QTA_ligand.pdbqt | data/6V/6V9O-QTA/6V9O-QTA_target.pdbqt | data/6V/6V9O-QTA/6V9O-QTA_decoys.pdbqt | data/6V/6V9O-QTA/6V9O-QTA_decoy_scores.csv |
6VII-GSP | data/6V/6VII-GSP/6VII-GSP_ligand.pdbqt | data/6V/6VII-GSP/6VII-GSP_target.pdbqt | data/6V/6VII-GSP/6VII-GSP_decoys.pdbqt | data/6V/6VII-GSP/6VII-GSP_decoy_scores.csv |
6VLG-GDP | data/6V/6VLG-GDP/6VLG-GDP_ligand.pdbqt | data/6V/6VLG-GDP/6VLG-GDP_target.pdbqt | data/6V/6VLG-GDP/6VLG-GDP_decoys.pdbqt | data/6V/6VLG-GDP/6VLG-GDP_decoy_scores.csv |
6V9M-QTG | data/6V/6V9M-QTG/6V9M-QTG_ligand.pdbqt | data/6V/6V9M-QTG/6V9M-QTG_target.pdbqt | data/6V/6V9M-QTG/6V9M-QTG_decoys.pdbqt | data/6V/6V9M-QTG/6V9M-QTG_decoy_scores.csv |
6V61-X8Z | data/6V/6V61-X8Z/6V61-X8Z_ligand.pdbqt | data/6V/6V61-X8Z/6V61-X8Z_target.pdbqt | data/6V/6V61-X8Z/6V61-X8Z_decoys.pdbqt | data/6V/6V61-X8Z/6V61-X8Z_decoy_scores.csv |
6V8A-AMP | data/6V/6V8A-AMP/6V8A-AMP_ligand.pdbqt | data/6V/6V8A-AMP/6V8A-AMP_target.pdbqt | data/6V/6V8A-AMP/6V8A-AMP_decoys.pdbqt | data/6V/6V8A-AMP/6V8A-AMP_decoy_scores.csv |
6VKE-R0S | data/6V/6VKE-R0S/6VKE-R0S_ligand.pdbqt | data/6V/6VKE-R0S/6VKE-R0S_target.pdbqt | data/6V/6VKE-R0S/6VKE-R0S_decoys.pdbqt | data/6V/6VKE-R0S/6VKE-R0S_decoy_scores.csv |
6VCQ-GTP | data/6V/6VCQ-GTP/6VCQ-GTP_ligand.pdbqt | data/6V/6VCQ-GTP/6VCQ-GTP_target.pdbqt | data/6V/6VCQ-GTP/6VCQ-GTP_decoys.pdbqt | data/6V/6VCQ-GTP/6VCQ-GTP_decoy_scores.csv |
6VSN-RG4 | data/6V/6VSN-RG4/6VSN-RG4_ligand.pdbqt | data/6V/6VSN-RG4/6VSN-RG4_target.pdbqt | data/6V/6VSN-RG4/6VSN-RG4_decoys.pdbqt | data/6V/6VSN-RG4/6VSN-RG4_decoy_scores.csv |
6VKE-NHE | data/6V/6VKE-NHE/6VKE-NHE_ligand.pdbqt | data/6V/6VKE-NHE/6VKE-NHE_target.pdbqt | data/6V/6VKE-NHE/6VKE-NHE_decoys.pdbqt | data/6V/6VKE-NHE/6VKE-NHE_decoy_scores.csv |
6VZU-ADP | data/6V/6VZU-ADP/6VZU-ADP_ligand.pdbqt | data/6V/6VZU-ADP/6VZU-ADP_target.pdbqt | data/6V/6VZU-ADP/6VZU-ADP_decoys.pdbqt | data/6V/6VZU-ADP/6VZU-ADP_decoy_scores.csv |
6VDU-T6C | data/6V/6VDU-T6C/6VDU-T6C_ligand.pdbqt | data/6V/6VDU-T6C/6VDU-T6C_target.pdbqt | data/6V/6VDU-T6C/6VDU-T6C_decoys.pdbqt | data/6V/6VDU-T6C/6VDU-T6C_decoy_scores.csv |
6VUJ-RLY | data/6V/6VUJ-RLY/6VUJ-RLY_ligand.pdbqt | data/6V/6VUJ-RLY/6VUJ-RLY_target.pdbqt | data/6V/6VUJ-RLY/6VUJ-RLY_decoys.pdbqt | data/6V/6VUJ-RLY/6VUJ-RLY_decoy_scores.csv |
6VXU-RTJ | data/6V/6VXU-RTJ/6VXU-RTJ_ligand.pdbqt | data/6V/6VXU-RTJ/6VXU-RTJ_target.pdbqt | data/6V/6VXU-RTJ/6VXU-RTJ_decoys.pdbqt | data/6V/6VXU-RTJ/6VXU-RTJ_decoy_scores.csv |
6V66-QP1 | data/6V/6V66-QP1/6V66-QP1_ligand.pdbqt | data/6V/6V66-QP1/6V66-QP1_target.pdbqt | data/6V/6V66-QP1/6V66-QP1_decoys.pdbqt | data/6V/6V66-QP1/6V66-QP1_decoy_scores.csv |
6VZV-S3A | data/6V/6VZV-S3A/6VZV-S3A_ligand.pdbqt | data/6V/6VZV-S3A/6VZV-S3A_target.pdbqt | data/6V/6VZV-S3A/6VZV-S3A_decoys.pdbqt | data/6V/6VZV-S3A/6VZV-S3A_decoy_scores.csv |
6V5P-QP4 | data/6V/6V5P-QP4/6V5P-QP4_ligand.pdbqt | data/6V/6V5P-QP4/6V5P-QP4_target.pdbqt | data/6V/6V5P-QP4/6V5P-QP4_decoys.pdbqt | data/6V/6V5P-QP4/6V5P-QP4_decoy_scores.csv |
6V53-QQ4 | data/6V/6V53-QQ4/6V53-QQ4_ligand.pdbqt | data/6V/6V53-QQ4/6V53-QQ4_target.pdbqt | data/6V/6V53-QQ4/6V53-QQ4_decoys.pdbqt | data/6V/6V53-QQ4/6V53-QQ4_decoy_scores.csv |
6VV9-RQ1 | data/6V/6VV9-RQ1/6VV9-RQ1_ligand.pdbqt | data/6V/6VV9-RQ1/6VV9-RQ1_target.pdbqt | data/6V/6VV9-RQ1/6VV9-RQ1_decoys.pdbqt | data/6V/6VV9-RQ1/6VV9-RQ1_decoy_scores.csv |
6VCL-0O2 | data/6V/6VCL-0O2/6VCL-0O2_ligand.pdbqt | data/6V/6VCL-0O2/6VCL-0O2_target.pdbqt | data/6V/6VCL-0O2/6VCL-0O2_decoys.pdbqt | data/6V/6VCL-0O2/6VCL-0O2_decoy_scores.csv |
6VCX-BTB | data/6V/6VCX-BTB/6VCX-BTB_ligand.pdbqt | data/6V/6VCX-BTB/6VCX-BTB_target.pdbqt | data/6V/6VCX-BTB/6VCX-BTB_decoys.pdbqt | data/6V/6VCX-BTB/6VCX-BTB_decoy_scores.csv |
6VZU-RZP | data/6V/6VZU-RZP/6VZU-RZP_ligand.pdbqt | data/6V/6VZU-RZP/6VZU-RZP_target.pdbqt | data/6V/6VZU-RZP/6VZU-RZP_decoys.pdbqt | data/6V/6VZU-RZP/6VZU-RZP_decoy_scores.csv |
6VPL-ANP | data/6V/6VPL-ANP/6VPL-ANP_ligand.pdbqt | data/6V/6VPL-ANP/6VPL-ANP_target.pdbqt | data/6V/6VPL-ANP/6VPL-ANP_decoys.pdbqt | data/6V/6VPL-ANP/6VPL-ANP_decoy_scores.csv |
6V43-LUZ | data/6V/6V43-LUZ/6V43-LUZ_ligand.pdbqt | data/6V/6V43-LUZ/6V43-LUZ_target.pdbqt | data/6V/6V43-LUZ/6V43-LUZ_decoys.pdbqt | data/6V/6V43-LUZ/6V43-LUZ_decoy_scores.csv |
6VNK-RXT | data/6V/6VNK-RXT/6VNK-RXT_ligand.pdbqt | data/6V/6VNK-RXT/6VNK-RXT_target.pdbqt | data/6V/6VNK-RXT/6VNK-RXT_decoys.pdbqt | data/6V/6VNK-RXT/6VNK-RXT_decoy_scores.csv |
6VTN-RL7 | data/6V/6VTN-RL7/6VTN-RL7_ligand.pdbqt | data/6V/6VTN-RL7/6VTN-RL7_target.pdbqt | data/6V/6VTN-RL7/6VTN-RL7_decoys.pdbqt | data/6V/6VTN-RL7/6VTN-RL7_decoy_scores.csv |
6VEO-YD4 | data/6V/6VEO-YD4/6VEO-YD4_ligand.pdbqt | data/6V/6VEO-YD4/6VEO-YD4_target.pdbqt | data/6V/6VEO-YD4/6VEO-YD4_decoys.pdbqt | data/6V/6VEO-YD4/6VEO-YD4_decoy_scores.csv |
6VDY-T6C | data/6V/6VDY-T6C/6VDY-T6C_ligand.pdbqt | data/6V/6VDY-T6C/6VDY-T6C_target.pdbqt | data/6V/6VDY-T6C/6VDY-T6C_decoys.pdbqt | data/6V/6VDY-T6C/6VDY-T6C_decoy_scores.csv |
6VPH-ANP | data/6V/6VPH-ANP/6VPH-ANP_ligand.pdbqt | data/6V/6VPH-ANP/6VPH-ANP_target.pdbqt | null | null |
5DL4-5C4 | data/5D/5DL4-5C4/5DL4-5C4_ligand.pdbqt | data/5D/5DL4-5C4/5DL4-5C4_target.pdbqt | data/5D/5DL4-5C4/5DL4-5C4_decoys.pdbqt | data/5D/5DL4-5C4/5DL4-5C4_decoy_scores.csv |
5DRD-ATP | data/5D/5DRD-ATP/5DRD-ATP_ligand.pdbqt | data/5D/5DRD-ATP/5DRD-ATP_target.pdbqt | data/5D/5DRD-ATP/5DRD-ATP_decoys.pdbqt | data/5D/5DRD-ATP/5DRD-ATP_decoy_scores.csv |
5D3R-57C | data/5D/5D3R-57C/5D3R-57C_ligand.pdbqt | data/5D/5D3R-57C/5D3R-57C_target.pdbqt | data/5D/5D3R-57C/5D3R-57C_decoys.pdbqt | data/5D/5D3R-57C/5D3R-57C_decoy_scores.csv |
5DH3-5BS | data/5D/5DH3-5BS/5DH3-5BS_ligand.pdbqt | data/5D/5DH3-5BS/5DH3-5BS_target.pdbqt | data/5D/5DH3-5BS/5DH3-5BS_decoys.pdbqt | data/5D/5DH3-5BS/5DH3-5BS_decoy_scores.csv |
5DCB-PHE | data/5D/5DCB-PHE/5DCB-PHE_ligand.pdbqt | data/5D/5DCB-PHE/5DCB-PHE_target.pdbqt | data/5D/5DCB-PHE/5DCB-PHE_decoys.pdbqt | data/5D/5DCB-PHE/5DCB-PHE_decoy_scores.csv |
5DM4-SAH | data/5D/5DM4-SAH/5DM4-SAH_ligand.pdbqt | data/5D/5DM4-SAH/5DM4-SAH_target.pdbqt | data/5D/5DM4-SAH/5DM4-SAH_decoys.pdbqt | data/5D/5DM4-SAH/5DM4-SAH_decoy_scores.csv |
5DQE-5E4 | data/5D/5DQE-5E4/5DQE-5E4_ligand.pdbqt | data/5D/5DQE-5E4/5DQE-5E4_target.pdbqt | data/5D/5DQE-5E4/5DQE-5E4_decoys.pdbqt | data/5D/5DQE-5E4/5DQE-5E4_decoy_scores.csv |
5DP5-5E9 | data/5D/5DP5-5E9/5DP5-5E9_ligand.pdbqt | data/5D/5DP5-5E9/5DP5-5E9_target.pdbqt | data/5D/5DP5-5E9/5DP5-5E9_decoys.pdbqt | data/5D/5DP5-5E9/5DP5-5E9_decoy_scores.csv |
5DC2-58U | data/5D/5DC2-58U/5DC2-58U_ligand.pdbqt | data/5D/5DC2-58U/5DC2-58U_target.pdbqt | data/5D/5DC2-58U/5DC2-58U_decoys.pdbqt | data/5D/5DC2-58U/5DC2-58U_decoy_scores.csv |
5DWR-5H7 | data/5D/5DWR-5H7/5DWR-5H7_ligand.pdbqt | data/5D/5DWR-5H7/5DWR-5H7_target.pdbqt | data/5D/5DWR-5H7/5DWR-5H7_decoys.pdbqt | data/5D/5DWR-5H7/5DWR-5H7_decoy_scores.csv |
5D3U-TRP | data/5D/5D3U-TRP/5D3U-TRP_ligand.pdbqt | data/5D/5D3U-TRP/5D3U-TRP_target.pdbqt | data/5D/5D3U-TRP/5D3U-TRP_decoys.pdbqt | data/5D/5D3U-TRP/5D3U-TRP_decoy_scores.csv |
5D3L-57F | data/5D/5D3L-57F/5D3L-57F_ligand.pdbqt | data/5D/5D3L-57F/5D3L-57F_target.pdbqt | data/5D/5D3L-57F/5D3L-57F_decoys.pdbqt | data/5D/5D3L-57F/5D3L-57F_decoy_scores.csv |
5D4G-U5P | data/5D/5D4G-U5P/5D4G-U5P_ligand.pdbqt | data/5D/5D4G-U5P/5D4G-U5P_target.pdbqt | data/5D/5D4G-U5P/5D4G-U5P_decoys.pdbqt | data/5D/5D4G-U5P/5D4G-U5P_decoy_scores.csv |
5DXB-EST | data/5D/5DXB-EST/5DXB-EST_ligand.pdbqt | data/5D/5DXB-EST/5DXB-EST_target.pdbqt | data/5D/5DXB-EST/5DXB-EST_decoys.pdbqt | data/5D/5DXB-EST/5DXB-EST_decoy_scores.csv |
5D5D-LDA | data/5D/5D5D-LDA/5D5D-LDA_ligand.pdbqt | data/5D/5D5D-LDA/5D5D-LDA_target.pdbqt | data/5D/5D5D-LDA/5D5D-LDA_decoys.pdbqt | data/5D/5D5D-LDA/5D5D-LDA_decoy_scores.csv |
5DDU-PMP | data/5D/5DDU-PMP/5DDU-PMP_ligand.pdbqt | data/5D/5DDU-PMP/5DDU-PMP_target.pdbqt | data/5D/5DDU-PMP/5DDU-PMP_decoys.pdbqt | data/5D/5DDU-PMP/5DDU-PMP_decoy_scores.csv |
5DXM-5J0 | data/5D/5DXM-5J0/5DXM-5J0_ligand.pdbqt | data/5D/5DXM-5J0/5DXM-5J0_target.pdbqt | data/5D/5DXM-5J0/5DXM-5J0_decoys.pdbqt | data/5D/5DXM-5J0/5DXM-5J0_decoy_scores.csv |
5DKD-5BW | data/5D/5DKD-5BW/5DKD-5BW_ligand.pdbqt | data/5D/5DKD-5BW/5DKD-5BW_target.pdbqt | data/5D/5DKD-5BW/5DKD-5BW_decoys.pdbqt | data/5D/5DKD-5BW/5DKD-5BW_decoy_scores.csv |
5D85-FLC | data/5D/5D85-FLC/5D85-FLC_ligand.pdbqt | data/5D/5D85-FLC/5D85-FLC_target.pdbqt | data/5D/5D85-FLC/5D85-FLC_decoys.pdbqt | data/5D/5D85-FLC/5D85-FLC_decoy_scores.csv |
5DN3-ATP | data/5D/5DN3-ATP/5DN3-ATP_ligand.pdbqt | data/5D/5DN3-ATP/5DN3-ATP_target.pdbqt | data/5D/5DN3-ATP/5DN3-ATP_decoys.pdbqt | data/5D/5DN3-ATP/5DN3-ATP_decoy_scores.csv |
5DJU-FMN | data/5D/5DJU-FMN/5DJU-FMN_ligand.pdbqt | data/5D/5DJU-FMN/5DJU-FMN_target.pdbqt | data/5D/5DJU-FMN/5DJU-FMN_decoys.pdbqt | data/5D/5DJU-FMN/5DJU-FMN_decoy_scores.csv |
5D53-PE5 | data/5D/5D53-PE5/5D53-PE5_ligand.pdbqt | data/5D/5D53-PE5/5D53-PE5_target.pdbqt | data/5D/5D53-PE5/5D53-PE5_decoys.pdbqt | data/5D/5D53-PE5/5D53-PE5_decoy_scores.csv |
5DXG-EST | data/5D/5DXG-EST/5DXG-EST_ligand.pdbqt | data/5D/5DXG-EST/5DXG-EST_target.pdbqt | data/5D/5DXG-EST/5DXG-EST_decoys.pdbqt | data/5D/5DXG-EST/5DXG-EST_decoy_scores.csv |
5DMK-FLC | data/5D/5DMK-FLC/5DMK-FLC_ligand.pdbqt | data/5D/5DMK-FLC/5DMK-FLC_target.pdbqt | data/5D/5DMK-FLC/5DMK-FLC_decoys.pdbqt | data/5D/5DMK-FLC/5DMK-FLC_decoy_scores.csv |
5DRC-5ER | data/5D/5DRC-5ER/5DRC-5ER_ligand.pdbqt | data/5D/5DRC-5ER/5DRC-5ER_target.pdbqt | data/5D/5DRC-5ER/5DRC-5ER_decoys.pdbqt | data/5D/5DRC-5ER/5DRC-5ER_decoy_scores.csv |
5DJI-AMP | data/5D/5DJI-AMP/5DJI-AMP_ligand.pdbqt | data/5D/5DJI-AMP/5DJI-AMP_target.pdbqt | data/5D/5DJI-AMP/5DJI-AMP_decoys.pdbqt | data/5D/5DJI-AMP/5DJI-AMP_decoy_scores.csv |
5DRJ-5EU | data/5D/5DRJ-5EU/5DRJ-5EU_ligand.pdbqt | data/5D/5DRJ-5EU/5DRJ-5EU_target.pdbqt | data/5D/5DRJ-5EU/5DRJ-5EU_decoys.pdbqt | data/5D/5DRJ-5EU/5DRJ-5EU_decoy_scores.csv |
5D4O-ADP | data/5D/5D4O-ADP/5D4O-ADP_ligand.pdbqt | data/5D/5D4O-ADP/5D4O-ADP_target.pdbqt | data/5D/5D4O-ADP/5D4O-ADP_decoys.pdbqt | data/5D/5D4O-ADP/5D4O-ADP_decoy_scores.csv |
5DWJ-5J2 | data/5D/5DWJ-5J2/5DWJ-5J2_ligand.pdbqt | data/5D/5DWJ-5J2/5DWJ-5J2_target.pdbqt | data/5D/5DWJ-5J2/5DWJ-5J2_decoys.pdbqt | data/5D/5DWJ-5J2/5DWJ-5J2_decoy_scores.csv |
5DBY-NPS | data/5D/5DBY-NPS/5DBY-NPS_ligand.pdbqt | data/5D/5DBY-NPS/5DBY-NPS_target.pdbqt | data/5D/5DBY-NPS/5DBY-NPS_decoys.pdbqt | data/5D/5DBY-NPS/5DBY-NPS_decoy_scores.csv |
5DI7-5CQ | data/5D/5DI7-5CQ/5DI7-5CQ_ligand.pdbqt | data/5D/5DI7-5CQ/5DI7-5CQ_target.pdbqt | data/5D/5DI7-5CQ/5DI7-5CQ_decoys.pdbqt | data/5D/5DI7-5CQ/5DI7-5CQ_decoy_scores.csv |
5DEL-ORO | data/5D/5DEL-ORO/5DEL-ORO_ligand.pdbqt | data/5D/5DEL-ORO/5DEL-ORO_target.pdbqt | data/5D/5DEL-ORO/5DEL-ORO_decoys.pdbqt | data/5D/5DEL-ORO/5DEL-ORO_decoy_scores.csv |
5DK4-ATP | data/5D/5DK4-ATP/5DK4-ATP_ligand.pdbqt | data/5D/5DK4-ATP/5DK4-ATP_target.pdbqt | data/5D/5DK4-ATP/5DK4-ATP_decoys.pdbqt | data/5D/5DK4-ATP/5DK4-ATP_decoy_scores.csv |
5DGU-5B7 | data/5D/5DGU-5B7/5DGU-5B7_ligand.pdbqt | data/5D/5DGU-5B7/5DGU-5B7_target.pdbqt | data/5D/5DGU-5B7/5DGU-5B7_decoys.pdbqt | data/5D/5DGU-5B7/5DGU-5B7_decoy_scores.csv |
5D6K-97N | data/5D/5D6K-97N/5D6K-97N_ligand.pdbqt | data/5D/5D6K-97N/5D6K-97N_target.pdbqt | data/5D/5D6K-97N/5D6K-97N_decoys.pdbqt | data/5D/5D6K-97N/5D6K-97N_decoy_scores.csv |
5DQ1-5HL | data/5D/5DQ1-5HL/5DQ1-5HL_ligand.pdbqt | data/5D/5DQ1-5HL/5DQ1-5HL_target.pdbqt | data/5D/5DQ1-5HL/5DQ1-5HL_decoys.pdbqt | data/5D/5DQ1-5HL/5DQ1-5HL_decoy_scores.csv |
5DEQ-ARA | data/5D/5DEQ-ARA/5DEQ-ARA_ligand.pdbqt | data/5D/5DEQ-ARA/5DEQ-ARA_target.pdbqt | data/5D/5DEQ-ARA/5DEQ-ARA_decoys.pdbqt | data/5D/5DEQ-ARA/5DEQ-ARA_decoy_scores.csv |
5DM1-5D7 | data/5D/5DM1-5D7/5DM1-5D7_ligand.pdbqt | data/5D/5DM1-5D7/5DM1-5D7_target.pdbqt | data/5D/5DM1-5D7/5DM1-5D7_decoys.pdbqt | data/5D/5DM1-5D7/5DM1-5D7_decoy_scores.csv |
5D58-PE5 | data/5D/5D58-PE5/5D58-PE5_ligand.pdbqt | data/5D/5D58-PE5/5D58-PE5_target.pdbqt | data/5D/5D58-PE5/5D58-PE5_decoys.pdbqt | data/5D/5D58-PE5/5D58-PE5_decoy_scores.csv |
5DXP-5HX | data/5D/5DXP-5HX/5DXP-5HX_ligand.pdbqt | data/5D/5DXP-5HX/5DXP-5HX_target.pdbqt | data/5D/5DXP-5HX/5DXP-5HX_decoys.pdbqt | data/5D/5DXP-5HX/5DXP-5HX_decoy_scores.csv |
5DRK-AMP | data/5D/5DRK-AMP/5DRK-AMP_ligand.pdbqt | data/5D/5DRK-AMP/5DRK-AMP_target.pdbqt | data/5D/5DRK-AMP/5DRK-AMP_decoys.pdbqt | data/5D/5DRK-AMP/5DRK-AMP_decoy_scores.csv |
5D2J-0L1 | data/5D/5D2J-0L1/5D2J-0L1_ligand.pdbqt | data/5D/5D2J-0L1/5D2J-0L1_target.pdbqt | data/5D/5D2J-0L1/5D2J-0L1_decoys.pdbqt | data/5D/5D2J-0L1/5D2J-0L1_decoy_scores.csv |
5DCH-1YO | data/5D/5DCH-1YO/5DCH-1YO_ligand.pdbqt | data/5D/5DCH-1YO/5DCH-1YO_target.pdbqt | data/5D/5DCH-1YO/5DCH-1YO_decoys.pdbqt | data/5D/5DCH-1YO/5DCH-1YO_decoy_scores.csv |
5D2W-6VP | data/5D/5D2W-6VP/5D2W-6VP_ligand.pdbqt | data/5D/5D2W-6VP/5D2W-6VP_target.pdbqt | data/5D/5D2W-6VP/5D2W-6VP_decoys.pdbqt | data/5D/5D2W-6VP/5D2W-6VP_decoy_scores.csv |
5DBI-NAD | data/5D/5DBI-NAD/5DBI-NAD_ligand.pdbqt | data/5D/5DBI-NAD/5DBI-NAD_target.pdbqt | data/5D/5DBI-NAD/5DBI-NAD_decoys.pdbqt | data/5D/5DBI-NAD/5DBI-NAD_decoy_scores.csv |
5DS7-AMP | data/5D/5DS7-AMP/5DS7-AMP_ligand.pdbqt | data/5D/5DS7-AMP/5DS7-AMP_target.pdbqt | data/5D/5DS7-AMP/5DS7-AMP_decoys.pdbqt | data/5D/5DS7-AMP/5DS7-AMP_decoy_scores.csv |
5D4N-AMP | data/5D/5D4N-AMP/5D4N-AMP_ligand.pdbqt | data/5D/5D4N-AMP/5D4N-AMP_target.pdbqt | data/5D/5D4N-AMP/5D4N-AMP_decoys.pdbqt | data/5D/5D4N-AMP/5D4N-AMP_decoy_scores.csv |
5DDC-59V | data/5D/5DDC-59V/5DDC-59V_ligand.pdbqt | data/5D/5DDC-59V/5DDC-59V_target.pdbqt | data/5D/5DDC-59V/5DDC-59V_decoys.pdbqt | data/5D/5DDC-59V/5DDC-59V_decoy_scores.csv |
5DW3-TRP | data/5D/5DW3-TRP/5DW3-TRP_ligand.pdbqt | data/5D/5DW3-TRP/5DW3-TRP_target.pdbqt | data/5D/5DW3-TRP/5DW3-TRP_decoys.pdbqt | data/5D/5DW3-TRP/5DW3-TRP_decoy_scores.csv |
5D7C-57W | data/5D/5D7C-57W/5D7C-57W_ligand.pdbqt | data/5D/5D7C-57W/5D7C-57W_target.pdbqt | data/5D/5D7C-57W/5D7C-57W_decoys.pdbqt | data/5D/5D7C-57W/5D7C-57W_decoy_scores.csv |
5D5Q-57O | data/5D/5D5Q-57O/5D5Q-57O_ligand.pdbqt | data/5D/5D5Q-57O/5D5Q-57O_target.pdbqt | data/5D/5D5Q-57O/5D5Q-57O_decoys.pdbqt | data/5D/5D5Q-57O/5D5Q-57O_decoy_scores.csv |
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