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 ⌀ |
|---|---|---|---|---|
2NOA-ADP | data/2N/2NOA-ADP/2NOA-ADP_ligand.pdbqt | data/2N/2NOA-ADP/2NOA-ADP_target.pdbqt | data/2N/2NOA-ADP/2NOA-ADP_decoys.pdbqt | data/2N/2NOA-ADP/2NOA-ADP_decoy_scores.csv |
2NO1-ADP | data/2N/2NO1-ADP/2NO1-ADP_ligand.pdbqt | data/2N/2NO1-ADP/2NO1-ADP_target.pdbqt | data/2N/2NO1-ADP/2NO1-ADP_decoys.pdbqt | data/2N/2NO1-ADP/2NO1-ADP_decoy_scores.csv |
2NSE-ARG | data/2N/2NSE-ARG/2NSE-ARG_ligand.pdbqt | data/2N/2NSE-ARG/2NSE-ARG_target.pdbqt | data/2N/2NSE-ARG/2NSE-ARG_decoys.pdbqt | data/2N/2NSE-ARG/2NSE-ARG_decoy_scores.csv |
2NO0-ADP | data/2N/2NO0-ADP/2NO0-ADP_ligand.pdbqt | data/2N/2NO0-ADP/2NO0-ADP_target.pdbqt | data/2N/2NO0-ADP/2NO0-ADP_decoys.pdbqt | data/2N/2NO0-ADP/2NO0-ADP_decoy_scores.csv |
2NSY-NAD | data/2N/2NSY-NAD/2NSY-NAD_ligand.pdbqt | data/2N/2NSY-NAD/2NSY-NAD_target.pdbqt | data/2N/2NSY-NAD/2NSY-NAD_decoys.pdbqt | data/2N/2NSY-NAD/2NSY-NAD_decoy_scores.csv |
2NLI-FMN | data/2N/2NLI-FMN/2NLI-FMN_ligand.pdbqt | data/2N/2NLI-FMN/2NLI-FMN_target.pdbqt | data/2N/2NLI-FMN/2NLI-FMN_decoys.pdbqt | data/2N/2NLI-FMN/2NLI-FMN_decoy_scores.csv |
2NMY-ROC | data/2N/2NMY-ROC/2NMY-ROC_ligand.pdbqt | data/2N/2NMY-ROC/2NMY-ROC_target.pdbqt | data/2N/2NMY-ROC/2NMY-ROC_decoys.pdbqt | data/2N/2NMY-ROC/2NMY-ROC_decoy_scores.csv |
2NV7-555 | data/2N/2NV7-555/2NV7-555_ligand.pdbqt | data/2N/2NV7-555/2NV7-555_target.pdbqt | data/2N/2NV7-555/2NV7-555_decoys.pdbqt | data/2N/2NV7-555/2NV7-555_decoy_scores.csv |
2NAD-NAD | data/2N/2NAD-NAD/2NAD-NAD_ligand.pdbqt | data/2N/2NAD-NAD/2NAD-NAD_target.pdbqt | data/2N/2NAD-NAD/2NAD-NAD_decoys.pdbqt | data/2N/2NAD-NAD/2NAD-NAD_decoy_scores.csv |
2NWS-A5P | data/2N/2NWS-A5P/2NWS-A5P_ligand.pdbqt | data/2N/2NWS-A5P/2NWS-A5P_target.pdbqt | data/2N/2NWS-A5P/2NWS-A5P_decoys.pdbqt | data/2N/2NWS-A5P/2NWS-A5P_decoy_scores.csv |
2NNV-M29 | data/2N/2NNV-M29/2NNV-M29_ligand.pdbqt | data/2N/2NNV-M29/2NNV-M29_target.pdbqt | data/2N/2NNV-M29/2NNV-M29_decoys.pdbqt | data/2N/2NNV-M29/2NNV-M29_decoy_scores.csv |
2NXG-A5P | data/2N/2NXG-A5P/2NXG-A5P_ligand.pdbqt | data/2N/2NXG-A5P/2NXG-A5P_target.pdbqt | data/2N/2NXG-A5P/2NXG-A5P_decoys.pdbqt | data/2N/2NXG-A5P/2NXG-A5P_decoy_scores.csv |
2NNP-ROC | data/2N/2NNP-ROC/2NNP-ROC_ligand.pdbqt | data/2N/2NNP-ROC/2NNP-ROC_target.pdbqt | data/2N/2NNP-ROC/2NNP-ROC_decoys.pdbqt | data/2N/2NNP-ROC/2NNP-ROC_decoy_scores.csv |
2NZX-GDP | data/2N/2NZX-GDP/2NZX-GDP_ligand.pdbqt | data/2N/2NZX-GDP/2NZX-GDP_target.pdbqt | data/2N/2NZX-GDP/2NZX-GDP_decoys.pdbqt | data/2N/2NZX-GDP/2NZX-GDP_decoy_scores.csv |
2NUN-ADP | data/2N/2NUN-ADP/2NUN-ADP_ligand.pdbqt | data/2N/2NUN-ADP/2NUN-ADP_target.pdbqt | data/2N/2NUN-ADP/2NUN-ADP_decoys.pdbqt | data/2N/2NUN-ADP/2NUN-ADP_decoy_scores.csv |
2NXE-SAM | data/2N/2NXE-SAM/2NXE-SAM_ligand.pdbqt | data/2N/2NXE-SAM/2NXE-SAM_target.pdbqt | data/2N/2NXE-SAM/2NXE-SAM_decoys.pdbqt | data/2N/2NXE-SAM/2NXE-SAM_decoy_scores.csv |
8GUE-NRB | data/8G/8GUE-NRB/8GUE-NRB_ligand.pdbqt | data/8G/8GUE-NRB/8GUE-NRB_target.pdbqt | data/8G/8GUE-NRB/8GUE-NRB_decoys.pdbqt | data/8G/8GUE-NRB/8GUE-NRB_decoy_scores.csv |
8G39-NAI | data/8G/8G39-NAI/8G39-NAI_ligand.pdbqt | data/8G/8G39-NAI/8G39-NAI_target.pdbqt | data/8G/8G39-NAI/8G39-NAI_decoys.pdbqt | data/8G/8G39-NAI/8G39-NAI_decoy_scores.csv |
8G2X-NAJ | data/8G/8G2X-NAJ/8G2X-NAJ_ligand.pdbqt | data/8G/8G2X-NAJ/8G2X-NAJ_target.pdbqt | data/8G/8G2X-NAJ/8G2X-NAJ_decoys.pdbqt | data/8G/8G2X-NAJ/8G2X-NAJ_decoy_scores.csv |
8G0V-YHT | data/8G/8G0V-YHT/8G0V-YHT_ligand.pdbqt | data/8G/8G0V-YHT/8G0V-YHT_target.pdbqt | data/8G/8G0V-YHT/8G0V-YHT_decoys.pdbqt | data/8G/8G0V-YHT/8G0V-YHT_decoy_scores.csv |
8GSW-ANP | data/8G/8GSW-ANP/8GSW-ANP_ligand.pdbqt | data/8G/8GSW-ANP/8GSW-ANP_target.pdbqt | data/8G/8GSW-ANP/8GSW-ANP_decoys.pdbqt | data/8G/8GSW-ANP/8GSW-ANP_decoy_scores.csv |
8G4V-PFB | data/8G/8G4V-PFB/8G4V-PFB_ligand.pdbqt | data/8G/8G4V-PFB/8G4V-PFB_target.pdbqt | data/8G/8G4V-PFB/8G4V-PFB_decoys.pdbqt | data/8G/8G4V-PFB/8G4V-PFB_decoy_scores.csv |
8G0T-YHK | data/8G/8G0T-YHK/8G0T-YHK_ligand.pdbqt | data/8G/8G0T-YHK/8G0T-YHK_target.pdbqt | data/8G/8G0T-YHK/8G0T-YHK_decoys.pdbqt | data/8G/8G0T-YHK/8G0T-YHK_decoy_scores.csv |
8G2S-DKA | data/8G/8G2S-DKA/8G2S-DKA_ligand.pdbqt | data/8G/8G2S-DKA/8G2S-DKA_target.pdbqt | data/8G/8G2S-DKA/8G2S-DKA_decoys.pdbqt | data/8G/8G2S-DKA/8G2S-DKA_decoy_scores.csv |
8GSU-ADP | data/8G/8GSU-ADP/8GSU-ADP_ligand.pdbqt | data/8G/8GSU-ADP/8GSU-ADP_target.pdbqt | data/8G/8GSU-ADP/8GSU-ADP_decoys.pdbqt | data/8G/8GSU-ADP/8GSU-ADP_decoy_scores.csv |
8G2S-NAJ | data/8G/8G2S-NAJ/8G2S-NAJ_ligand.pdbqt | data/8G/8G2S-NAJ/8G2S-NAJ_target.pdbqt | data/8G/8G2S-NAJ/8G2S-NAJ_decoys.pdbqt | data/8G/8G2S-NAJ/8G2S-NAJ_decoy_scores.csv |
8G0U-YHQ | data/8G/8G0U-YHQ/8G0U-YHQ_ligand.pdbqt | data/8G/8G0U-YHQ/8G0U-YHQ_target.pdbqt | data/8G/8G0U-YHQ/8G0U-YHQ_decoys.pdbqt | data/8G/8G0U-YHQ/8G0U-YHQ_decoy_scores.csv |
8G62-YOO | data/8G/8G62-YOO/8G62-YOO_ligand.pdbqt | data/8G/8G62-YOO/8G62-YOO_target.pdbqt | data/8G/8G62-YOO/8G62-YOO_decoys.pdbqt | data/8G/8G62-YOO/8G62-YOO_decoy_scores.csv |
8GT3-ADP | data/8G/8GT3-ADP/8GT3-ADP_ligand.pdbqt | data/8G/8GT3-ADP/8GT3-ADP_target.pdbqt | data/8G/8GT3-ADP/8GT3-ADP_decoys.pdbqt | data/8G/8GT3-ADP/8GT3-ADP_decoy_scores.csv |
8GQ0-KCL | data/8G/8GQ0-KCL/8GQ0-KCL_ligand.pdbqt | data/8G/8GQ0-KCL/8GQ0-KCL_target.pdbqt | data/8G/8GQ0-KCL/8GQ0-KCL_decoys.pdbqt | data/8G/8GQ0-KCL/8GQ0-KCL_decoy_scores.csv |
8GZC-KQO | data/8G/8GZC-KQO/8GZC-KQO_ligand.pdbqt | data/8G/8GZC-KQO/8GZC-KQO_target.pdbqt | data/8G/8GZC-KQO/8GZC-KQO_decoys.pdbqt | data/8G/8GZC-KQO/8GZC-KQO_decoy_scores.csv |
8GVM-DMU | data/8G/8GVM-DMU/8GVM-DMU_ligand.pdbqt | data/8G/8GVM-DMU/8GVM-DMU_target.pdbqt | data/8G/8GVM-DMU/8GVM-DMU_decoys.pdbqt | data/8G/8GVM-DMU/8GVM-DMU_decoy_scores.csv |
8GYZ-PLM | data/8G/8GYZ-PLM/8GYZ-PLM_ligand.pdbqt | data/8G/8GYZ-PLM/8GYZ-PLM_target.pdbqt | data/8G/8GYZ-PLM/8GYZ-PLM_decoys.pdbqt | data/8G/8GYZ-PLM/8GYZ-PLM_decoy_scores.csv |
8GNE-OLC | data/8G/8GNE-OLC/8GNE-OLC_ligand.pdbqt | data/8G/8GNE-OLC/8GNE-OLC_target.pdbqt | data/8G/8GNE-OLC/8GNE-OLC_decoys.pdbqt | data/8G/8GNE-OLC/8GNE-OLC_decoy_scores.csv |
8GVM-CHD | data/8G/8GVM-CHD/8GVM-CHD_ligand.pdbqt | data/8G/8GVM-CHD/8GVM-CHD_target.pdbqt | data/8G/8GVM-CHD/8GVM-CHD_decoys.pdbqt | data/8G/8GVM-CHD/8GVM-CHD_decoy_scores.csv |
8G41-NAI | data/8G/8G41-NAI/8G41-NAI_ligand.pdbqt | data/8G/8G41-NAI/8G41-NAI_target.pdbqt | data/8G/8G41-NAI/8G41-NAI_decoys.pdbqt | data/8G/8G41-NAI/8G41-NAI_decoy_scores.csv |
8G2L-NAJ | data/8G/8G2L-NAJ/8G2L-NAJ_ligand.pdbqt | data/8G/8G2L-NAJ/8G2L-NAJ_target.pdbqt | data/8G/8G2L-NAJ/8G2L-NAJ_decoys.pdbqt | data/8G/8G2L-NAJ/8G2L-NAJ_decoy_scores.csv |
8GPZ-KC3 | data/8G/8GPZ-KC3/8GPZ-KC3_ligand.pdbqt | data/8G/8GPZ-KC3/8GPZ-KC3_target.pdbqt | data/8G/8GPZ-KC3/8GPZ-KC3_decoys.pdbqt | data/8G/8GPZ-KC3/8GPZ-KC3_decoy_scores.csv |
8GPB-AMP | data/8G/8GPB-AMP/8GPB-AMP_ligand.pdbqt | data/8G/8GPB-AMP/8GPB-AMP_target.pdbqt | data/8G/8GPB-AMP/8GPB-AMP_decoys.pdbqt | data/8G/8GPB-AMP/8GPB-AMP_decoy_scores.csv |
8G46-YK3 | data/8G/8G46-YK3/8G46-YK3_ligand.pdbqt | data/8G/8G46-YK3/8G46-YK3_target.pdbqt | data/8G/8G46-YK3/8G46-YK3_decoys.pdbqt | data/8G/8G46-YK3/8G46-YK3_decoy_scores.csv |
8GNE-PE4 | data/8G/8GNE-PE4/8GNE-PE4_ligand.pdbqt | data/8G/8GNE-PE4/8GNE-PE4_target.pdbqt | data/8G/8GNE-PE4/8GNE-PE4_decoys.pdbqt | data/8G/8GNE-PE4/8GNE-PE4_decoy_scores.csv |
8GNE-JQR | data/8G/8GNE-JQR/8GNE-JQR_ligand.pdbqt | data/8G/8GNE-JQR/8GNE-JQR_target.pdbqt | data/8G/8GNE-JQR/8GNE-JQR_decoys.pdbqt | data/8G/8GNE-JQR/8GNE-JQR_decoy_scores.csv |
8GPW-JXJ | data/8G/8GPW-JXJ/8GPW-JXJ_ligand.pdbqt | data/8G/8GPW-JXJ/8GPW-JXJ_target.pdbqt | data/8G/8GPW-JXJ/8GPW-JXJ_decoys.pdbqt | data/8G/8GPW-JXJ/8GPW-JXJ_decoy_scores.csv |
8GCY-Z3N | data/8G/8GCY-Z3N/8GCY-Z3N_ligand.pdbqt | data/8G/8GCY-Z3N/8GCY-Z3N_target.pdbqt | data/8G/8GCY-Z3N/8GCY-Z3N_decoys.pdbqt | data/8G/8GCY-Z3N/8GCY-Z3N_decoy_scores.csv |
8GT1-ATP | data/8G/8GT1-ATP/8GT1-ATP_ligand.pdbqt | data/8G/8GT1-ATP/8GT1-ATP_target.pdbqt | data/8G/8GT1-ATP/8GT1-ATP_decoys.pdbqt | data/8G/8GT1-ATP/8GT1-ATP_decoy_scores.csv |
8G4V-NAJ | data/8G/8G4V-NAJ/8G4V-NAJ_ligand.pdbqt | data/8G/8G4V-NAJ/8G4V-NAJ_target.pdbqt | data/8G/8G4V-NAJ/8G4V-NAJ_decoys.pdbqt | data/8G/8G4V-NAJ/8G4V-NAJ_decoy_scores.csv |
8GYJ-KKX | data/8G/8GYJ-KKX/8GYJ-KKX_ligand.pdbqt | data/8G/8GYJ-KKX/8GYJ-KKX_target.pdbqt | data/8G/8GYJ-KKX/8GYJ-KKX_decoys.pdbqt | data/8G/8GYJ-KKX/8GYJ-KKX_decoy_scores.csv |
8GNE-CLR | data/8G/8GNE-CLR/8GNE-CLR_ligand.pdbqt | data/8G/8GNE-CLR/8GNE-CLR_target.pdbqt | data/8G/8GNE-CLR/8GNE-CLR_decoys.pdbqt | data/8G/8GNE-CLR/8GNE-CLR_decoy_scores.csv |
8GT2-ANP | data/8G/8GT2-ANP/8GT2-ANP_ligand.pdbqt | data/8G/8GT2-ANP/8GT2-ANP_target.pdbqt | data/8G/8GT2-ANP/8GT2-ANP_decoys.pdbqt | data/8G/8GT2-ANP/8GT2-ANP_decoy_scores.csv |
8GT5-ADP | data/8G/8GT5-ADP/8GT5-ADP_ligand.pdbqt | data/8G/8GT5-ADP/8GT5-ADP_target.pdbqt | data/8G/8GT5-ADP/8GT5-ADP_decoys.pdbqt | data/8G/8GT5-ADP/8GT5-ADP_decoy_scores.csv |
8GT4-ANP | data/8G/8GT4-ANP/8GT4-ANP_ligand.pdbqt | data/8G/8GT4-ANP/8GT4-ANP_target.pdbqt | data/8G/8GT4-ANP/8GT4-ANP_decoys.pdbqt | data/8G/8GT4-ANP/8GT4-ANP_decoy_scores.csv |
1XXS-STE | data/1X/1XXS-STE/1XXS-STE_ligand.pdbqt | data/1X/1XXS-STE/1XXS-STE_target.pdbqt | data/1X/1XXS-STE/1XXS-STE_decoys.pdbqt | data/1X/1XXS-STE/1XXS-STE_decoy_scores.csv |
1X07-IPE | data/1X/1X07-IPE/1X07-IPE_ligand.pdbqt | data/1X/1X07-IPE/1X07-IPE_target.pdbqt | data/1X/1X07-IPE/1X07-IPE_decoys.pdbqt | data/1X/1X07-IPE/1X07-IPE_decoy_scores.csv |
1X8V-ESL | data/1X/1X8V-ESL/1X8V-ESL_ligand.pdbqt | data/1X/1X8V-ESL/1X8V-ESL_target.pdbqt | data/1X/1X8V-ESL/1X8V-ESL_decoys.pdbqt | data/1X/1X8V-ESL/1X8V-ESL_decoy_scores.csv |
1XRL-PHK | data/1X/1XRL-PHK/1XRL-PHK_ligand.pdbqt | data/1X/1XRL-PHK/1XRL-PHK_target.pdbqt | data/1X/1XRL-PHK/1XRL-PHK_decoys.pdbqt | data/1X/1XRL-PHK/1XRL-PHK_decoy_scores.csv |
1XNJ-ADP | data/1X/1XNJ-ADP/1XNJ-ADP_ligand.pdbqt | data/1X/1XNJ-ADP/1XNJ-ADP_target.pdbqt | data/1X/1XNJ-ADP/1XNJ-ADP_decoys.pdbqt | data/1X/1XNJ-ADP/1XNJ-ADP_decoy_scores.csv |
1X3N-ANP | data/1X/1X3N-ANP/1X3N-ANP_ligand.pdbqt | data/1X/1X3N-ANP/1X3N-ANP_target.pdbqt | data/1X/1X3N-ANP/1X3N-ANP_decoys.pdbqt | data/1X/1X3N-ANP/1X3N-ANP_decoy_scores.csv |
1XQH-SAH | data/1X/1XQH-SAH/1XQH-SAH_ligand.pdbqt | data/1X/1XQH-SAH/1XQH-SAH_target.pdbqt | data/1X/1XQH-SAH/1XQH-SAH_decoys.pdbqt | data/1X/1XQH-SAH/1XQH-SAH_decoy_scores.csv |
1XUI-BAO | data/1X/1XUI-BAO/1XUI-BAO_ligand.pdbqt | data/1X/1XUI-BAO/1XUI-BAO_target.pdbqt | data/1X/1XUI-BAO/1XUI-BAO_decoys.pdbqt | data/1X/1XUI-BAO/1XUI-BAO_decoy_scores.csv |
1XME-BNG | data/1X/1XME-BNG/1XME-BNG_ligand.pdbqt | data/1X/1XME-BNG/1XME-BNG_target.pdbqt | data/1X/1XME-BNG/1XME-BNG_decoys.pdbqt | data/1X/1XME-BNG/1XME-BNG_decoy_scores.csv |
1XWV-PE3 | data/1X/1XWV-PE3/1XWV-PE3_ligand.pdbqt | data/1X/1XWV-PE3/1XWV-PE3_target.pdbqt | data/1X/1XWV-PE3/1XWV-PE3_decoys.pdbqt | data/1X/1XWV-PE3/1XWV-PE3_decoy_scores.csv |
1XRJ-ADP | data/1X/1XRJ-ADP/1XRJ-ADP_ligand.pdbqt | data/1X/1XRJ-ADP/1XRJ-ADP_target.pdbqt | data/1X/1XRJ-ADP/1XRJ-ADP_decoys.pdbqt | data/1X/1XRJ-ADP/1XRJ-ADP_decoy_scores.csv |
1XG0-DBV | data/1X/1XG0-DBV/1XG0-DBV_ligand.pdbqt | data/1X/1XG0-DBV/1XG0-DBV_target.pdbqt | data/1X/1XG0-DBV/1XG0-DBV_decoys.pdbqt | data/1X/1XG0-DBV/1XG0-DBV_decoy_scores.csv |
1X71-DB1 | data/1X/1X71-DB1/1X71-DB1_ligand.pdbqt | data/1X/1X71-DB1/1X71-DB1_target.pdbqt | data/1X/1X71-DB1/1X71-DB1_decoys.pdbqt | data/1X/1X71-DB1/1X71-DB1_decoy_scores.csv |
1XHL-TNE | data/1X/1XHL-TNE/1XHL-TNE_ligand.pdbqt | data/1X/1XHL-TNE/1XHL-TNE_target.pdbqt | data/1X/1XHL-TNE/1XHL-TNE_decoys.pdbqt | data/1X/1XHL-TNE/1XHL-TNE_decoy_scores.csv |
1XPC-AIT | data/1X/1XPC-AIT/1XPC-AIT_ligand.pdbqt | data/1X/1XPC-AIT/1XPC-AIT_target.pdbqt | data/1X/1XPC-AIT/1XPC-AIT_decoys.pdbqt | data/1X/1XPC-AIT/1XPC-AIT_decoy_scores.csv |
1XMI-ATP | data/1X/1XMI-ATP/1XMI-ATP_ligand.pdbqt | data/1X/1XMI-ATP/1XMI-ATP_target.pdbqt | data/1X/1XMI-ATP/1XMI-ATP_decoys.pdbqt | data/1X/1XMI-ATP/1XMI-ATP_decoy_scores.csv |
1XOQ-ROF | data/1X/1XOQ-ROF/1XOQ-ROF_ligand.pdbqt | data/1X/1XOQ-ROF/1XOQ-ROF_target.pdbqt | data/1X/1XOQ-ROF/1XOQ-ROF_decoys.pdbqt | data/1X/1XOQ-ROF/1XOQ-ROF_decoy_scores.csv |
1XLM-XYL | data/1X/1XLM-XYL/1XLM-XYL_ligand.pdbqt | data/1X/1XLM-XYL/1XLM-XYL_target.pdbqt | null | null |
1XS1-DUT | data/1X/1XS1-DUT/1XS1-DUT_ligand.pdbqt | data/1X/1XS1-DUT/1XS1-DUT_target.pdbqt | data/1X/1XS1-DUT/1XS1-DUT_decoys.pdbqt | data/1X/1XS1-DUT/1XS1-DUT_decoy_scores.csv |
1X2B-STX | data/1X/1X2B-STX/1X2B-STX_ligand.pdbqt | data/1X/1X2B-STX/1X2B-STX_target.pdbqt | data/1X/1X2B-STX/1X2B-STX_decoys.pdbqt | data/1X/1X2B-STX/1X2B-STX_decoy_scores.csv |
1XJF-DTP | data/1X/1XJF-DTP/1XJF-DTP_ligand.pdbqt | data/1X/1XJF-DTP/1XJF-DTP_target.pdbqt | data/1X/1XJF-DTP/1XJF-DTP_decoys.pdbqt | data/1X/1XJF-DTP/1XJF-DTP_decoy_scores.csv |
1XK4-FLC | data/1X/1XK4-FLC/1XK4-FLC_ligand.pdbqt | data/1X/1XK4-FLC/1XK4-FLC_target.pdbqt | data/1X/1XK4-FLC/1XK4-FLC_decoys.pdbqt | data/1X/1XK4-FLC/1XK4-FLC_decoy_scores.csv |
1XBT-TTP | data/1X/1XBT-TTP/1XBT-TTP_ligand.pdbqt | data/1X/1XBT-TTP/1XBT-TTP_target.pdbqt | data/1X/1XBT-TTP/1XBT-TTP_decoys.pdbqt | data/1X/1XBT-TTP/1XBT-TTP_decoy_scores.csv |
1XJM-TTP | data/1X/1XJM-TTP/1XJM-TTP_ligand.pdbqt | data/1X/1XJM-TTP/1XJM-TTP_target.pdbqt | data/1X/1XJM-TTP/1XJM-TTP_decoys.pdbqt | data/1X/1XJM-TTP/1XJM-TTP_decoy_scores.csv |
1XHY-KAI | data/1X/1XHY-KAI/1XHY-KAI_ligand.pdbqt | data/1X/1XHY-KAI/1XHY-KAI_target.pdbqt | data/1X/1XHY-KAI/1XHY-KAI_decoys.pdbqt | data/1X/1XHY-KAI/1XHY-KAI_decoy_scores.csv |
1XZL-HEE | data/1X/1XZL-HEE/1XZL-HEE_ligand.pdbqt | data/1X/1XZL-HEE/1XZL-HEE_target.pdbqt | data/1X/1XZL-HEE/1XZL-HEE_decoys.pdbqt | data/1X/1XZL-HEE/1XZL-HEE_decoy_scores.csv |
1X01-ATP | data/1X/1X01-ATP/1X01-ATP_ligand.pdbqt | data/1X/1X01-ATP/1X01-ATP_target.pdbqt | data/1X/1X01-ATP/1X01-ATP_decoys.pdbqt | data/1X/1X01-ATP/1X01-ATP_decoy_scores.csv |
1XES-3IO | data/1X/1XES-3IO/1XES-3IO_ligand.pdbqt | data/1X/1XES-3IO/1XES-3IO_target.pdbqt | data/1X/1XES-3IO/1XES-3IO_decoys.pdbqt | data/1X/1XES-3IO/1XES-3IO_decoy_scores.csv |
1X7D-NAD | data/1X/1X7D-NAD/1X7D-NAD_ligand.pdbqt | data/1X/1X7D-NAD/1X7D-NAD_target.pdbqt | data/1X/1X7D-NAD/1X7D-NAD_decoys.pdbqt | data/1X/1X7D-NAD/1X7D-NAD_decoy_scores.csv |
1XU7-CPS | data/1X/1XU7-CPS/1XU7-CPS_ligand.pdbqt | data/1X/1XU7-CPS/1XU7-CPS_target.pdbqt | data/1X/1XU7-CPS/1XU7-CPS_decoys.pdbqt | data/1X/1XU7-CPS/1XU7-CPS_decoy_scores.csv |
1XDP-ATP | data/1X/1XDP-ATP/1XDP-ATP_ligand.pdbqt | data/1X/1XDP-ATP/1XDP-ATP_target.pdbqt | data/1X/1XDP-ATP/1XDP-ATP_decoys.pdbqt | data/1X/1XDP-ATP/1XDP-ATP_decoy_scores.csv |
1XP6-AIU | data/1X/1XP6-AIU/1XP6-AIU_ligand.pdbqt | data/1X/1XP6-AIU/1XP6-AIU_target.pdbqt | data/1X/1XP6-AIU/1XP6-AIU_decoys.pdbqt | data/1X/1XP6-AIU/1XP6-AIU_decoy_scores.csv |
1XQX-PCS | data/1X/1XQX-PCS/1XQX-PCS_ligand.pdbqt | data/1X/1XQX-PCS/1XQX-PCS_target.pdbqt | data/1X/1XQX-PCS/1XQX-PCS_decoys.pdbqt | data/1X/1XQX-PCS/1XQX-PCS_decoy_scores.csv |
1XJD-STU | data/1X/1XJD-STU/1XJD-STU_ligand.pdbqt | data/1X/1XJD-STU/1XJD-STU_target.pdbqt | data/1X/1XJD-STU/1XJD-STU_decoys.pdbqt | data/1X/1XJD-STU/1XJD-STU_decoy_scores.csv |
1XKX-IMK | data/1X/1XKX-IMK/1XKX-IMK_ligand.pdbqt | data/1X/1XKX-IMK/1XKX-IMK_target.pdbqt | data/1X/1XKX-IMK/1XKX-IMK_decoys.pdbqt | data/1X/1XKX-IMK/1XKX-IMK_decoy_scores.csv |
1X6V-ADP | data/1X/1X6V-ADP/1X6V-ADP_ligand.pdbqt | data/1X/1X6V-ADP/1X6V-ADP_target.pdbqt | data/1X/1X6V-ADP/1X6V-ADP_decoys.pdbqt | data/1X/1X6V-ADP/1X6V-ADP_decoy_scores.csv |
1X31-FMN | data/1X/1X31-FMN/1X31-FMN_ligand.pdbqt | data/1X/1X31-FMN/1X31-FMN_target.pdbqt | data/1X/1X31-FMN/1X31-FMN_decoys.pdbqt | data/1X/1X31-FMN/1X31-FMN_decoy_scores.csv |
1XOV-LYS | data/1X/1XOV-LYS/1XOV-LYS_ligand.pdbqt | data/1X/1XOV-LYS/1XOV-LYS_target.pdbqt | data/1X/1XOV-LYS/1XOV-LYS_decoys.pdbqt | data/1X/1XOV-LYS/1XOV-LYS_decoy_scores.csv |
1XL2-189 | data/1X/1XL2-189/1XL2-189_ligand.pdbqt | data/1X/1XL2-189/1XL2-189_target.pdbqt | data/1X/1XL2-189/1XL2-189_decoys.pdbqt | data/1X/1XL2-189/1XL2-189_decoy_scores.csv |
1XMM-G7M | data/1X/1XMM-G7M/1XMM-G7M_ligand.pdbqt | data/1X/1XMM-G7M/1XMM-G7M_target.pdbqt | data/1X/1XMM-G7M/1XMM-G7M_decoys.pdbqt | data/1X/1XMM-G7M/1XMM-G7M_decoy_scores.csv |
1X3S-GNP | data/1X/1X3S-GNP/1X3S-GNP_ligand.pdbqt | data/1X/1X3S-GNP/1X3S-GNP_target.pdbqt | data/1X/1X3S-GNP/1X3S-GNP_decoys.pdbqt | data/1X/1X3S-GNP/1X3S-GNP_decoy_scores.csv |
1X9Q-FLU | data/1X/1X9Q-FLU/1X9Q-FLU_ligand.pdbqt | data/1X/1X9Q-FLU/1X9Q-FLU_target.pdbqt | data/1X/1X9Q-FLU/1X9Q-FLU_decoys.pdbqt | data/1X/1X9Q-FLU/1X9Q-FLU_decoy_scores.csv |
1XMU-ROF | data/1X/1XMU-ROF/1XMU-ROF_ligand.pdbqt | data/1X/1XMU-ROF/1XMU-ROF_target.pdbqt | data/1X/1XMU-ROF/1XMU-ROF_decoys.pdbqt | data/1X/1XMU-ROF/1XMU-ROF_decoy_scores.csv |
1XLF-GCO | data/1X/1XLF-GCO/1XLF-GCO_ligand.pdbqt | data/1X/1XLF-GCO/1XLF-GCO_target.pdbqt | data/1X/1XLF-GCO/1XLF-GCO_decoys.pdbqt | data/1X/1XLF-GCO/1XLF-GCO_decoy_scores.csv |
1XP8-AGS | data/1X/1XP8-AGS/1XP8-AGS_ligand.pdbqt | data/1X/1XP8-AGS/1XP8-AGS_target.pdbqt | data/1X/1XP8-AGS/1XP8-AGS_decoys.pdbqt | data/1X/1XP8-AGS/1XP8-AGS_decoy_scores.csv |
1XU9-CPS | data/1X/1XU9-CPS/1XU9-CPS_ligand.pdbqt | data/1X/1XU9-CPS/1XU9-CPS_target.pdbqt | data/1X/1XU9-CPS/1XU9-CPS_decoys.pdbqt | data/1X/1XU9-CPS/1XU9-CPS_decoy_scores.csv |
1XX4-BEN | data/1X/1XX4-BEN/1XX4-BEN_ligand.pdbqt | data/1X/1XX4-BEN/1XX4-BEN_target.pdbqt | data/1X/1XX4-BEN/1XX4-BEN_decoys.pdbqt | data/1X/1XX4-BEN/1XX4-BEN_decoy_scores.csv |
1XAN-HXP | data/1X/1XAN-HXP/1XAN-HXP_ligand.pdbqt | data/1X/1XAN-HXP/1XAN-HXP_target.pdbqt | data/1X/1XAN-HXP/1XAN-HXP_decoys.pdbqt | data/1X/1XAN-HXP/1XAN-HXP_decoy_scores.csv |
1XMY-ROL | data/1X/1XMY-ROL/1XMY-ROL_ligand.pdbqt | data/1X/1XMY-ROL/1XMY-ROL_target.pdbqt | data/1X/1XMY-ROL/1XMY-ROL_decoys.pdbqt | data/1X/1XMY-ROL/1XMY-ROL_decoy_scores.csv |
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