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 ⌀ |
|---|---|---|---|---|
1GTE-FMN | data/1G/1GTE-FMN/1GTE-FMN_ligand.pdbqt | data/1G/1GTE-FMN/1GTE-FMN_target.pdbqt | data/1G/1GTE-FMN/1GTE-FMN_decoys.pdbqt | data/1G/1GTE-FMN/1GTE-FMN_decoy_scores.csv |
1G2A-BB2 | data/1G/1G2A-BB2/1G2A-BB2_ligand.pdbqt | data/1G/1G2A-BB2/1G2A-BB2_target.pdbqt | data/1G/1G2A-BB2/1G2A-BB2_decoys.pdbqt | data/1G/1G2A-BB2/1G2A-BB2_decoy_scores.csv |
1GY8-UDP | data/1G/1GY8-UDP/1GY8-UDP_ligand.pdbqt | data/1G/1GY8-UDP/1GY8-UDP_target.pdbqt | data/1G/1GY8-UDP/1GY8-UDP_decoys.pdbqt | data/1G/1GY8-UDP/1GY8-UDP_decoy_scores.csv |
1GFZ-CFF | data/1G/1GFZ-CFF/1GFZ-CFF_ligand.pdbqt | data/1G/1GFZ-CFF/1GFZ-CFF_target.pdbqt | data/1G/1GFZ-CFF/1GFZ-CFF_decoys.pdbqt | data/1G/1GFZ-CFF/1GFZ-CFF_decoy_scores.csv |
1GYM-MYG | data/1G/1GYM-MYG/1GYM-MYG_ligand.pdbqt | data/1G/1GYM-MYG/1GYM-MYG_target.pdbqt | data/1G/1GYM-MYG/1GYM-MYG_decoys.pdbqt | data/1G/1GYM-MYG/1GYM-MYG_decoy_scores.csv |
1GTK-DPM | data/1G/1GTK-DPM/1GTK-DPM_ligand.pdbqt | data/1G/1GTK-DPM/1GTK-DPM_target.pdbqt | data/1G/1GTK-DPM/1GTK-DPM_decoys.pdbqt | data/1G/1GTK-DPM/1GTK-DPM_decoy_scores.csv |
1G8M-G | data/1G/1G8M-G/1G8M-G_ligand.pdbqt | data/1G/1G8M-G/1G8M-G_target.pdbqt | data/1G/1G8M-G/1G8M-G_decoys.pdbqt | data/1G/1G8M-G/1G8M-G_decoy_scores.csv |
1GBN-GBC | data/1G/1GBN-GBC/1GBN-GBC_ligand.pdbqt | data/1G/1GBN-GBC/1GBN-GBC_target.pdbqt | data/1G/1GBN-GBC/1GBN-GBC_decoys.pdbqt | data/1G/1GBN-GBC/1GBN-GBC_decoy_scores.csv |
1GPM-AMP | data/1G/1GPM-AMP/1GPM-AMP_ligand.pdbqt | data/1G/1GPM-AMP/1GPM-AMP_target.pdbqt | data/1G/1GPM-AMP/1GPM-AMP_decoys.pdbqt | data/1G/1GPM-AMP/1GPM-AMP_decoy_scores.csv |
1GR3-CPS | data/1G/1GR3-CPS/1GR3-CPS_ligand.pdbqt | data/1G/1GR3-CPS/1GR3-CPS_target.pdbqt | data/1G/1GR3-CPS/1GR3-CPS_decoys.pdbqt | data/1G/1GR3-CPS/1GR3-CPS_decoy_scores.csv |
1G1B-PHB | data/1G/1G1B-PHB/1G1B-PHB_ligand.pdbqt | data/1G/1G1B-PHB/1G1B-PHB_target.pdbqt | data/1G/1G1B-PHB/1G1B-PHB_decoys.pdbqt | data/1G/1G1B-PHB/1G1B-PHB_decoy_scores.csv |
1GIU-ADE | data/1G/1GIU-ADE/1GIU-ADE_ligand.pdbqt | data/1G/1GIU-ADE/1GIU-ADE_target.pdbqt | data/1G/1GIU-ADE/1GIU-ADE_decoys.pdbqt | data/1G/1GIU-ADE/1GIU-ADE_decoy_scores.csv |
1GJD-136 | data/1G/1GJD-136/1GJD-136_ligand.pdbqt | data/1G/1GJD-136/1GJD-136_target.pdbqt | data/1G/1GJD-136/1GJD-136_decoys.pdbqt | data/1G/1GJD-136/1GJD-136_decoy_scores.csv |
1G02-2GP | data/1G/1G02-2GP/1G02-2GP_ligand.pdbqt | data/1G/1G02-2GP/1G02-2GP_target.pdbqt | data/1G/1G02-2GP/1G02-2GP_decoys.pdbqt | data/1G/1G02-2GP/1G02-2GP_decoy_scores.csv |
1G3Q-ADP | data/1G/1G3Q-ADP/1G3Q-ADP_ligand.pdbqt | data/1G/1G3Q-ADP/1G3Q-ADP_target.pdbqt | data/1G/1G3Q-ADP/1G3Q-ADP_decoys.pdbqt | data/1G/1G3Q-ADP/1G3Q-ADP_decoy_scores.csv |
1GU8-RET | data/1G/1GU8-RET/1GU8-RET_ligand.pdbqt | data/1G/1GU8-RET/1GU8-RET_target.pdbqt | data/1G/1GU8-RET/1GU8-RET_decoys.pdbqt | data/1G/1GU8-RET/1GU8-RET_decoy_scores.csv |
1GSQ-GDN | data/1G/1GSQ-GDN/1GSQ-GDN_ligand.pdbqt | data/1G/1GSQ-GDN/1GSQ-GDN_target.pdbqt | data/1G/1GSQ-GDN/1GSQ-GDN_decoys.pdbqt | data/1G/1GSQ-GDN/1GSQ-GDN_decoy_scores.csv |
1GWX-433 | data/1G/1GWX-433/1GWX-433_ligand.pdbqt | data/1G/1GWX-433/1GWX-433_target.pdbqt | data/1G/1GWX-433/1GWX-433_decoys.pdbqt | data/1G/1GWX-433/1GWX-433_decoy_scores.csv |
1GS3-EQU | data/1G/1GS3-EQU/1GS3-EQU_ligand.pdbqt | data/1G/1GS3-EQU/1GS3-EQU_target.pdbqt | data/1G/1GS3-EQU/1GS3-EQU_decoys.pdbqt | data/1G/1GS3-EQU/1GS3-EQU_decoy_scores.csv |
1GVO-DNF | data/1G/1GVO-DNF/1GVO-DNF_ligand.pdbqt | data/1G/1GVO-DNF/1GVO-DNF_target.pdbqt | data/1G/1GVO-DNF/1GVO-DNF_decoys.pdbqt | data/1G/1GVO-DNF/1GVO-DNF_decoy_scores.csv |
1G9D-BAB | data/1G/1G9D-BAB/1G9D-BAB_ligand.pdbqt | data/1G/1G9D-BAB/1G9D-BAB_target.pdbqt | data/1G/1G9D-BAB/1G9D-BAB_decoys.pdbqt | data/1G/1G9D-BAB/1G9D-BAB_decoy_scores.csv |
1GWN-GTP | data/1G/1GWN-GTP/1GWN-GTP_ligand.pdbqt | data/1G/1GWN-GTP/1GWN-GTP_target.pdbqt | data/1G/1GWN-GTP/1GWN-GTP_decoys.pdbqt | data/1G/1GWN-GTP/1GWN-GTP_decoy_scores.csv |
1GT3-DHM | data/1G/1GT3-DHM/1GT3-DHM_ligand.pdbqt | data/1G/1GT3-DHM/1GT3-DHM_target.pdbqt | data/1G/1GT3-DHM/1GT3-DHM_decoys.pdbqt | data/1G/1GT3-DHM/1GT3-DHM_decoy_scores.csv |
1GHM-CED | data/1G/1GHM-CED/1GHM-CED_ligand.pdbqt | data/1G/1GHM-CED/1GHM-CED_target.pdbqt | data/1G/1GHM-CED/1GHM-CED_decoys.pdbqt | data/1G/1GHM-CED/1GHM-CED_decoy_scores.csv |
1GIL-GSP | data/1G/1GIL-GSP/1GIL-GSP_ligand.pdbqt | data/1G/1GIL-GSP/1GIL-GSP_target.pdbqt | data/1G/1GIL-GSP/1GIL-GSP_decoys.pdbqt | data/1G/1GIL-GSP/1GIL-GSP_decoy_scores.csv |
1GN8-ATP | data/1G/1GN8-ATP/1GN8-ATP_ligand.pdbqt | data/1G/1GN8-ATP/1GN8-ATP_target.pdbqt | data/1G/1GN8-ATP/1GN8-ATP_decoys.pdbqt | data/1G/1GN8-ATP/1GN8-ATP_decoy_scores.csv |
1GG5-E09 | data/1G/1GG5-E09/1GG5-E09_ligand.pdbqt | data/1G/1GG5-E09/1GG5-E09_target.pdbqt | data/1G/1GG5-E09/1GG5-E09_decoys.pdbqt | data/1G/1GG5-E09/1GG5-E09_decoy_scores.csv |
1GCZ-YZ9 | data/1G/1GCZ-YZ9/1GCZ-YZ9_ligand.pdbqt | data/1G/1GCZ-YZ9/1GCZ-YZ9_target.pdbqt | data/1G/1GCZ-YZ9/1GCZ-YZ9_decoys.pdbqt | data/1G/1GCZ-YZ9/1GCZ-YZ9_decoy_scores.csv |
1GOX-FMN | data/1G/1GOX-FMN/1GOX-FMN_ligand.pdbqt | data/1G/1GOX-FMN/1GOX-FMN_target.pdbqt | data/1G/1GOX-FMN/1GOX-FMN_decoys.pdbqt | data/1G/1GOX-FMN/1GOX-FMN_decoy_scores.csv |
1GI8-BMZ | data/1G/1GI8-BMZ/1GI8-BMZ_ligand.pdbqt | data/1G/1GI8-BMZ/1GI8-BMZ_target.pdbqt | data/1G/1GI8-BMZ/1GI8-BMZ_decoys.pdbqt | data/1G/1GI8-BMZ/1GI8-BMZ_decoy_scores.csv |
1GCA-GAL | data/1G/1GCA-GAL/1GCA-GAL_ligand.pdbqt | data/1G/1GCA-GAL/1GCA-GAL_target.pdbqt | data/1G/1GCA-GAL/1GCA-GAL_decoys.pdbqt | data/1G/1GCA-GAL/1GCA-GAL_decoy_scores.csv |
1G3M-A3P | data/1G/1G3M-A3P/1G3M-A3P_ligand.pdbqt | data/1G/1G3M-A3P/1G3M-A3P_target.pdbqt | data/1G/1G3M-A3P/1G3M-A3P_decoys.pdbqt | data/1G/1G3M-A3P/1G3M-A3P_decoy_scores.csv |
1GPU-THD | data/1G/1GPU-THD/1GPU-THD_ligand.pdbqt | data/1G/1GPU-THD/1GPU-THD_target.pdbqt | data/1G/1GPU-THD/1GPU-THD_decoys.pdbqt | data/1G/1GPU-THD/1GPU-THD_decoy_scores.csv |
1GSV-HC4 | data/1G/1GSV-HC4/1GSV-HC4_ligand.pdbqt | data/1G/1GSV-HC4/1GSV-HC4_target.pdbqt | data/1G/1GSV-HC4/1GSV-HC4_decoys.pdbqt | data/1G/1GSV-HC4/1GSV-HC4_decoy_scores.csv |
1GHV-120 | data/1G/1GHV-120/1GHV-120_ligand.pdbqt | data/1G/1GHV-120/1GHV-120_target.pdbqt | data/1G/1GHV-120/1GHV-120_decoys.pdbqt | data/1G/1GHV-120/1GHV-120_decoy_scores.csv |
1GTH-FMN | data/1G/1GTH-FMN/1GTH-FMN_ligand.pdbqt | data/1G/1GTH-FMN/1GTH-FMN_target.pdbqt | data/1G/1GTH-FMN/1GTH-FMN_decoys.pdbqt | data/1G/1GTH-FMN/1GTH-FMN_decoy_scores.csv |
1GZR-C15 | data/1G/1GZR-C15/1GZR-C15_ligand.pdbqt | data/1G/1GZR-C15/1GZR-C15_target.pdbqt | data/1G/1GZR-C15/1GZR-C15_decoys.pdbqt | data/1G/1GZR-C15/1GZR-C15_decoy_scores.csv |
1GM8-SOX | data/1G/1GM8-SOX/1GM8-SOX_ligand.pdbqt | data/1G/1GM8-SOX/1GM8-SOX_target.pdbqt | data/1G/1GM8-SOX/1GM8-SOX_decoys.pdbqt | data/1G/1GM8-SOX/1GM8-SOX_decoy_scores.csv |
1GEB-CAM | data/1G/1GEB-CAM/1GEB-CAM_ligand.pdbqt | data/1G/1GEB-CAM/1GEB-CAM_target.pdbqt | data/1G/1GEB-CAM/1GEB-CAM_decoys.pdbqt | data/1G/1GEB-CAM/1GEB-CAM_decoy_scores.csv |
1GG2-GDP | data/1G/1GG2-GDP/1GG2-GDP_ligand.pdbqt | data/1G/1GG2-GDP/1GG2-GDP_target.pdbqt | data/1G/1GG2-GDP/1GG2-GDP_decoys.pdbqt | data/1G/1GG2-GDP/1GG2-GDP_decoy_scores.csv |
1GWR-EST | data/1G/1GWR-EST/1GWR-EST_ligand.pdbqt | data/1G/1GWR-EST/1GWR-EST_target.pdbqt | data/1G/1GWR-EST/1GWR-EST_decoys.pdbqt | data/1G/1GWR-EST/1GWR-EST_decoy_scores.csv |
1G6T-S3P | data/1G/1G6T-S3P/1G6T-S3P_ligand.pdbqt | data/1G/1G6T-S3P/1G6T-S3P_target.pdbqt | data/1G/1G6T-S3P/1G6T-S3P_decoys.pdbqt | data/1G/1G6T-S3P/1G6T-S3P_decoy_scores.csv |
1G63-FMN | data/1G/1G63-FMN/1G63-FMN_ligand.pdbqt | data/1G/1G63-FMN/1G63-FMN_target.pdbqt | data/1G/1G63-FMN/1G63-FMN_decoys.pdbqt | data/1G/1G63-FMN/1G63-FMN_decoy_scores.csv |
1G6C-IFP | data/1G/1G6C-IFP/1G6C-IFP_ligand.pdbqt | data/1G/1G6C-IFP/1G6C-IFP_target.pdbqt | data/1G/1G6C-IFP/1G6C-IFP_decoys.pdbqt | data/1G/1G6C-IFP/1G6C-IFP_decoy_scores.csv |
1G7T-GNP | data/1G/1G7T-GNP/1G7T-GNP_ligand.pdbqt | data/1G/1G7T-GNP/1G7T-GNP_target.pdbqt | data/1G/1G7T-GNP/1G7T-GNP_decoys.pdbqt | data/1G/1G7T-GNP/1G7T-GNP_decoy_scores.csv |
1GU1-FA1 | data/1G/1GU1-FA1/1GU1-FA1_ligand.pdbqt | data/1G/1GU1-FA1/1GU1-FA1_target.pdbqt | data/1G/1GU1-FA1/1GU1-FA1_decoys.pdbqt | data/1G/1GU1-FA1/1GU1-FA1_decoy_scores.csv |
1GMY-APD | data/1G/1GMY-APD/1GMY-APD_ligand.pdbqt | data/1G/1GMY-APD/1GMY-APD_target.pdbqt | data/1G/1GMY-APD/1GMY-APD_decoys.pdbqt | data/1G/1GMY-APD/1GMY-APD_decoy_scores.csv |
1G60-SAM | data/1G/1G60-SAM/1G60-SAM_ligand.pdbqt | data/1G/1G60-SAM/1G60-SAM_target.pdbqt | data/1G/1G60-SAM/1G60-SAM_decoys.pdbqt | data/1G/1G60-SAM/1G60-SAM_decoy_scores.csv |
1GP5-DH2 | data/1G/1GP5-DH2/1GP5-DH2_ligand.pdbqt | data/1G/1GP5-DH2/1GP5-DH2_target.pdbqt | data/1G/1GP5-DH2/1GP5-DH2_decoys.pdbqt | data/1G/1GP5-DH2/1GP5-DH2_decoy_scores.csv |
1GX9-REA | data/1G/1GX9-REA/1GX9-REA_ligand.pdbqt | data/1G/1GX9-REA/1GX9-REA_target.pdbqt | data/1G/1GX9-REA/1GX9-REA_decoys.pdbqt | data/1G/1GX9-REA/1GX9-REA_decoy_scores.csv |
1G3M-PCQ | data/1G/1G3M-PCQ/1G3M-PCQ_ligand.pdbqt | data/1G/1G3M-PCQ/1G3M-PCQ_target.pdbqt | data/1G/1G3M-PCQ/1G3M-PCQ_decoys.pdbqt | data/1G/1G3M-PCQ/1G3M-PCQ_decoy_scores.csv |
1GLP-GTS | data/1G/1GLP-GTS/1GLP-GTS_ligand.pdbqt | data/1G/1GLP-GTS/1GLP-GTS_target.pdbqt | data/1G/1GLP-GTS/1GLP-GTS_decoys.pdbqt | data/1G/1GLP-GTS/1GLP-GTS_decoy_scores.csv |
1GKZ-ADP | data/1G/1GKZ-ADP/1GKZ-ADP_ligand.pdbqt | data/1G/1GKZ-ADP/1GKZ-ADP_target.pdbqt | null | null |
1GKL-FER | data/1G/1GKL-FER/1GKL-FER_ligand.pdbqt | data/1G/1GKL-FER/1GKL-FER_target.pdbqt | data/1G/1GKL-FER/1GKL-FER_decoys.pdbqt | data/1G/1GKL-FER/1GKL-FER_decoy_scores.csv |
1GVC-NTA | data/1G/1GVC-NTA/1GVC-NTA_ligand.pdbqt | data/1G/1GVC-NTA/1GVC-NTA_target.pdbqt | data/1G/1GVC-NTA/1GVC-NTA_decoys.pdbqt | data/1G/1GVC-NTA/1GVC-NTA_decoy_scores.csv |
1G5Y-REA | data/1G/1G5Y-REA/1G5Y-REA_ligand.pdbqt | data/1G/1G5Y-REA/1G5Y-REA_target.pdbqt | data/1G/1G5Y-REA/1G5Y-REA_decoys.pdbqt | data/1G/1G5Y-REA/1G5Y-REA_decoy_scores.csv |
1G69-TZP | data/1G/1G69-TZP/1G69-TZP_ligand.pdbqt | data/1G/1G69-TZP/1G69-TZP_target.pdbqt | data/1G/1G69-TZP/1G69-TZP_decoys.pdbqt | data/1G/1G69-TZP/1G69-TZP_decoy_scores.csv |
1G67-TZP | data/1G/1G67-TZP/1G67-TZP_ligand.pdbqt | data/1G/1G67-TZP/1G67-TZP_target.pdbqt | data/1G/1G67-TZP/1G67-TZP_decoys.pdbqt | data/1G/1G67-TZP/1G67-TZP_decoy_scores.csv |
1GEG-GLC | data/1G/1GEG-GLC/1GEG-GLC_ligand.pdbqt | data/1G/1GEG-GLC/1GEG-GLC_target.pdbqt | data/1G/1GEG-GLC/1GEG-GLC_decoys.pdbqt | data/1G/1GEG-GLC/1GEG-GLC_decoy_scores.csv |
1G17-GNP | data/1G/1G17-GNP/1G17-GNP_ligand.pdbqt | data/1G/1G17-GNP/1G17-GNP_target.pdbqt | data/1G/1G17-GNP/1G17-GNP_decoys.pdbqt | data/1G/1G17-GNP/1G17-GNP_decoy_scores.csv |
1GII-1PU | data/1G/1GII-1PU/1GII-1PU_ligand.pdbqt | data/1G/1GII-1PU/1GII-1PU_target.pdbqt | data/1G/1GII-1PU/1GII-1PU_decoys.pdbqt | data/1G/1GII-1PU/1GII-1PU_decoy_scores.csv |
1GRN-GDP | data/1G/1GRN-GDP/1GRN-GDP_ligand.pdbqt | data/1G/1GRN-GDP/1GRN-GDP_target.pdbqt | null | null |
1GI9-123 | data/1G/1GI9-123/1GI9-123_ligand.pdbqt | data/1G/1GI9-123/1GI9-123_target.pdbqt | data/1G/1GI9-123/1GI9-123_decoys.pdbqt | data/1G/1GI9-123/1GI9-123_decoy_scores.csv |
1GZ6-NAI | data/1G/1GZ6-NAI/1GZ6-NAI_ligand.pdbqt | data/1G/1GZ6-NAI/1GZ6-NAI_target.pdbqt | data/1G/1GZ6-NAI/1GZ6-NAI_decoys.pdbqt | data/1G/1GZ6-NAI/1GZ6-NAI_decoy_scores.csv |
1GDE-GLU | data/1G/1GDE-GLU/1GDE-GLU_ligand.pdbqt | data/1G/1GDE-GLU/1GDE-GLU_target.pdbqt | data/1G/1GDE-GLU/1GDE-GLU_decoys.pdbqt | data/1G/1GDE-GLU/1GDE-GLU_decoy_scores.csv |
1GSP-SGP | data/1G/1GSP-SGP/1GSP-SGP_ligand.pdbqt | data/1G/1GSP-SGP/1GSP-SGP_target.pdbqt | data/1G/1GSP-SGP/1GSP-SGP_decoys.pdbqt | data/1G/1GSP-SGP/1GSP-SGP_decoy_scores.csv |
1GKC-NFH | data/1G/1GKC-NFH/1GKC-NFH_ligand.pdbqt | data/1G/1GKC-NFH/1GKC-NFH_target.pdbqt | data/1G/1GKC-NFH/1GKC-NFH_decoys.pdbqt | data/1G/1GKC-NFH/1GKC-NFH_decoy_scores.csv |
1GJ4-132 | data/1G/1GJ4-132/1GJ4-132_ligand.pdbqt | data/1G/1GJ4-132/1GJ4-132_target.pdbqt | data/1G/1GJ4-132/1GJ4-132_decoys.pdbqt | data/1G/1GJ4-132/1GJ4-132_decoy_scores.csv |
1GMY-DFA | data/1G/1GMY-DFA/1GMY-DFA_ligand.pdbqt | data/1G/1GMY-DFA/1GMY-DFA_target.pdbqt | data/1G/1GMY-DFA/1GMY-DFA_decoys.pdbqt | data/1G/1GMY-DFA/1GMY-DFA_decoy_scores.csv |
1GI2-122 | data/1G/1GI2-122/1GI2-122_ligand.pdbqt | data/1G/1GI2-122/1GI2-122_target.pdbqt | data/1G/1GI2-122/1GI2-122_decoys.pdbqt | data/1G/1GI2-122/1GI2-122_decoy_scores.csv |
1GZQ-TWT | data/1G/1GZQ-TWT/1GZQ-TWT_ligand.pdbqt | data/1G/1GZQ-TWT/1GZQ-TWT_target.pdbqt | data/1G/1GZQ-TWT/1GZQ-TWT_decoys.pdbqt | data/1G/1GZQ-TWT/1GZQ-TWT_decoy_scores.csv |
1GZ5-G6P | data/1G/1GZ5-G6P/1GZ5-G6P_ligand.pdbqt | data/1G/1GZ5-G6P/1GZ5-G6P_target.pdbqt | data/1G/1GZ5-G6P/1GZ5-G6P_decoys.pdbqt | data/1G/1GZ5-G6P/1GZ5-G6P_decoy_scores.csv |
1GH0-CYC | data/1G/1GH0-CYC/1GH0-CYC_ligand.pdbqt | data/1G/1GH0-CYC/1GH0-CYC_target.pdbqt | data/1G/1GH0-CYC/1GH0-CYC_decoys.pdbqt | data/1G/1GH0-CYC/1GH0-CYC_decoy_scores.csv |
1GSX-HC4 | data/1G/1GSX-HC4/1GSX-HC4_ligand.pdbqt | data/1G/1GSX-HC4/1GSX-HC4_target.pdbqt | data/1G/1GSX-HC4/1GSX-HC4_decoys.pdbqt | data/1G/1GSX-HC4/1GSX-HC4_decoy_scores.csv |
1GAE-NAD | data/1G/1GAE-NAD/1GAE-NAD_ligand.pdbqt | data/1G/1GAE-NAD/1GAE-NAD_target.pdbqt | data/1G/1GAE-NAD/1GAE-NAD_decoys.pdbqt | data/1G/1GAE-NAD/1GAE-NAD_decoy_scores.csv |
1G54-FFB | data/1G/1G54-FFB/1G54-FFB_ligand.pdbqt | data/1G/1G54-FFB/1G54-FFB_target.pdbqt | data/1G/1G54-FFB/1G54-FFB_decoys.pdbqt | data/1G/1G54-FFB/1G54-FFB_decoy_scores.csv |
1GNO-U0E | data/1G/1GNO-U0E/1GNO-U0E_ligand.pdbqt | data/1G/1GNO-U0E/1GNO-U0E_target.pdbqt | data/1G/1GNO-U0E/1GNO-U0E_decoys.pdbqt | data/1G/1GNO-U0E/1GNO-U0E_decoy_scores.csv |
1G9Q-APR | data/1G/1G9Q-APR/1G9Q-APR_ligand.pdbqt | data/1G/1G9Q-APR/1G9Q-APR_target.pdbqt | data/1G/1G9Q-APR/1G9Q-APR_decoys.pdbqt | data/1G/1G9Q-APR/1G9Q-APR_decoy_scores.csv |
1G49-111 | data/1G/1G49-111/1G49-111_ligand.pdbqt | data/1G/1G49-111/1G49-111_target.pdbqt | data/1G/1G49-111/1G49-111_decoys.pdbqt | data/1G/1G49-111/1G49-111_decoy_scores.csv |
1GJA-135 | data/1G/1GJA-135/1GJA-135_ligand.pdbqt | data/1G/1GJA-135/1GJA-135_target.pdbqt | data/1G/1GJA-135/1GJA-135_decoys.pdbqt | data/1G/1GJA-135/1GJA-135_decoy_scores.csv |
1GSW-HC4 | data/1G/1GSW-HC4/1GSW-HC4_ligand.pdbqt | data/1G/1GSW-HC4/1GSW-HC4_target.pdbqt | data/1G/1GSW-HC4/1GSW-HC4_decoys.pdbqt | data/1G/1GSW-HC4/1GSW-HC4_decoy_scores.csv |
1GEG-NAD | data/1G/1GEG-NAD/1GEG-NAD_ligand.pdbqt | data/1G/1GEG-NAD/1GEG-NAD_target.pdbqt | data/1G/1GEG-NAD/1GEG-NAD_decoys.pdbqt | data/1G/1GEG-NAD/1GEG-NAD_decoy_scores.csv |
1G2O-IMH | data/1G/1G2O-IMH/1G2O-IMH_ligand.pdbqt | data/1G/1G2O-IMH/1G2O-IMH_target.pdbqt | data/1G/1G2O-IMH/1G2O-IMH_decoys.pdbqt | data/1G/1G2O-IMH/1G2O-IMH_decoy_scores.csv |
1GW6-BES | data/1G/1GW6-BES/1GW6-BES_ligand.pdbqt | data/1G/1GW6-BES/1GW6-BES_target.pdbqt | null | null |
1GQT-RIB | data/1G/1GQT-RIB/1GQT-RIB_ligand.pdbqt | data/1G/1GQT-RIB/1GQT-RIB_target.pdbqt | null | null |
1GUQ-UPG | data/1G/1GUQ-UPG/1GUQ-UPG_ligand.pdbqt | data/1G/1GUQ-UPG/1GUQ-UPG_target.pdbqt | data/1G/1GUQ-UPG/1GUQ-UPG_decoys.pdbqt | data/1G/1GUQ-UPG/1GUQ-UPG_decoy_scores.csv |
1GC5-ADP | data/1G/1GC5-ADP/1GC5-ADP_ligand.pdbqt | data/1G/1GC5-ADP/1GC5-ADP_target.pdbqt | data/1G/1GC5-ADP/1GC5-ADP_decoys.pdbqt | data/1G/1GC5-ADP/1GC5-ADP_decoy_scores.csv |
1GQY-ACP | data/1G/1GQY-ACP/1GQY-ACP_ligand.pdbqt | data/1G/1GQY-ACP/1GQY-ACP_target.pdbqt | data/1G/1GQY-ACP/1GQY-ACP_decoys.pdbqt | data/1G/1GQY-ACP/1GQY-ACP_decoy_scores.csv |
1GVS-FMN | data/1G/1GVS-FMN/1GVS-FMN_ligand.pdbqt | data/1G/1GVS-FMN/1GVS-FMN_target.pdbqt | data/1G/1GVS-FMN/1GVS-FMN_decoys.pdbqt | data/1G/1GVS-FMN/1GVS-FMN_decoy_scores.csv |
1GJ7-132 | data/1G/1GJ7-132/1GJ7-132_ligand.pdbqt | data/1G/1GJ7-132/1GJ7-132_target.pdbqt | data/1G/1GJ7-132/1GJ7-132_decoys.pdbqt | data/1G/1GJ7-132/1GJ7-132_decoy_scores.csv |
1G81-PHB | data/1G/1G81-PHB/1G81-PHB_ligand.pdbqt | data/1G/1G81-PHB/1G81-PHB_target.pdbqt | data/1G/1G81-PHB/1G81-PHB_decoys.pdbqt | data/1G/1G81-PHB/1G81-PHB_decoy_scores.csv |
1GIM-IMP | data/1G/1GIM-IMP/1GIM-IMP_ligand.pdbqt | data/1G/1GIM-IMP/1GIM-IMP_target.pdbqt | data/1G/1GIM-IMP/1GIM-IMP_decoys.pdbqt | data/1G/1GIM-IMP/1GIM-IMP_decoy_scores.csv |
1GJC-130 | data/1G/1GJC-130/1GJC-130_ligand.pdbqt | data/1G/1GJC-130/1GJC-130_target.pdbqt | data/1G/1GJC-130/1GJC-130_decoys.pdbqt | data/1G/1GJC-130/1GJC-130_decoy_scores.csv |
1G46-F2B | data/1G/1G46-F2B/1G46-F2B_ligand.pdbqt | data/1G/1G46-F2B/1G46-F2B_target.pdbqt | data/1G/1G46-F2B/1G46-F2B_decoys.pdbqt | data/1G/1G46-F2B/1G46-F2B_decoy_scores.csv |
1GBT-GBS | data/1G/1GBT-GBS/1GBT-GBS_ligand.pdbqt | data/1G/1GBT-GBS/1GBT-GBS_target.pdbqt | data/1G/1GBT-GBS/1GBT-GBS_decoys.pdbqt | data/1G/1GBT-GBS/1GBT-GBS_decoy_scores.csv |
1G9A-BAB | data/1G/1G9A-BAB/1G9A-BAB_ligand.pdbqt | data/1G/1G9A-BAB/1G9A-BAB_target.pdbqt | data/1G/1G9A-BAB/1G9A-BAB_decoys.pdbqt | data/1G/1G9A-BAB/1G9A-BAB_decoy_scores.csv |
1G7C-5GP | data/1G/1G7C-5GP/1G7C-5GP_ligand.pdbqt | data/1G/1G7C-5GP/1G7C-5GP_target.pdbqt | data/1G/1G7C-5GP/1G7C-5GP_decoys.pdbqt | data/1G/1G7C-5GP/1G7C-5GP_decoy_scores.csv |
1GZ4-ATP | data/1G/1GZ4-ATP/1GZ4-ATP_ligand.pdbqt | data/1G/1GZ4-ATP/1GZ4-ATP_target.pdbqt | data/1G/1GZ4-ATP/1GZ4-ATP_decoys.pdbqt | data/1G/1GZ4-ATP/1GZ4-ATP_decoy_scores.csv |
1GP5-DQH | data/1G/1GP5-DQH/1GP5-DQH_ligand.pdbqt | data/1G/1GP5-DQH/1GP5-DQH_target.pdbqt | data/1G/1GP5-DQH/1GP5-DQH_decoys.pdbqt | data/1G/1GP5-DQH/1GP5-DQH_decoy_scores.csv |
1GJ5-130 | data/1G/1GJ5-130/1GJ5-130_ligand.pdbqt | data/1G/1GJ5-130/1GJ5-130_target.pdbqt | data/1G/1GJ5-130/1GJ5-130_decoys.pdbqt | data/1G/1GJ5-130/1GJ5-130_decoy_scores.csv |
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