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 ⌀ |
|---|---|---|---|---|
2FP4-GTP | data/2F/2FP4-GTP/2FP4-GTP_ligand.pdbqt | data/2F/2FP4-GTP/2FP4-GTP_target.pdbqt | data/2F/2FP4-GTP/2FP4-GTP_decoys.pdbqt | data/2F/2FP4-GTP/2FP4-GTP_decoy_scores.csv |
2FQI-ILH | data/2F/2FQI-ILH/2FQI-ILH_ligand.pdbqt | data/2F/2FQI-ILH/2FQI-ILH_target.pdbqt | data/2F/2FQI-ILH/2FQI-ILH_decoys.pdbqt | data/2F/2FQI-ILH/2FQI-ILH_decoy_scores.csv |
2FAX-FMN | data/2F/2FAX-FMN/2FAX-FMN_ligand.pdbqt | data/2F/2FAX-FMN/2FAX-FMN_target.pdbqt | data/2F/2FAX-FMN/2FAX-FMN_decoys.pdbqt | data/2F/2FAX-FMN/2FAX-FMN_decoy_scores.csv |
2FKM-G16 | data/2F/2FKM-G16/2FKM-G16_ligand.pdbqt | data/2F/2FKM-G16/2FKM-G16_target.pdbqt | data/2F/2FKM-G16/2FKM-G16_decoys.pdbqt | data/2F/2FKM-G16/2FKM-G16_decoy_scores.csv |
2FYE-BCQ | data/2F/2FYE-BCQ/2FYE-BCQ_ligand.pdbqt | data/2F/2FYE-BCQ/2FYE-BCQ_target.pdbqt | data/2F/2FYE-BCQ/2FYE-BCQ_decoys.pdbqt | data/2F/2FYE-BCQ/2FYE-BCQ_decoy_scores.csv |
2F92-AHD | data/2F/2F92-AHD/2F92-AHD_ligand.pdbqt | data/2F/2F92-AHD/2F92-AHD_target.pdbqt | data/2F/2F92-AHD/2F92-AHD_decoys.pdbqt | data/2F/2F92-AHD/2F92-AHD_decoy_scores.csv |
2FKW-LDA | data/2F/2FKW-LDA/2FKW-LDA_ligand.pdbqt | data/2F/2FKW-LDA/2FKW-LDA_target.pdbqt | data/2F/2FKW-LDA/2FKW-LDA_decoys.pdbqt | data/2F/2FKW-LDA/2FKW-LDA_decoy_scores.csv |
2FZ9-ZST | data/2F/2FZ9-ZST/2FZ9-ZST_ligand.pdbqt | data/2F/2FZ9-ZST/2FZ9-ZST_target.pdbqt | data/2F/2FZ9-ZST/2FZ9-ZST_decoys.pdbqt | data/2F/2FZ9-ZST/2FZ9-ZST_decoy_scores.csv |
2FL2-ADP | data/2F/2FL2-ADP/2FL2-ADP_ligand.pdbqt | data/2F/2FL2-ADP/2FL2-ADP_target.pdbqt | data/2F/2FL2-ADP/2FL2-ADP_decoys.pdbqt | data/2F/2FL2-ADP/2FL2-ADP_decoy_scores.csv |
2FQW-NOS | data/2F/2FQW-NOS/2FQW-NOS_ligand.pdbqt | data/2F/2FQW-NOS/2FQW-NOS_target.pdbqt | data/2F/2FQW-NOS/2FQW-NOS_decoys.pdbqt | data/2F/2FQW-NOS/2FQW-NOS_decoy_scores.csv |
2F14-FL1 | data/2F/2F14-FL1/2F14-FL1_ligand.pdbqt | data/2F/2F14-FL1/2F14-FL1_target.pdbqt | data/2F/2F14-FL1/2F14-FL1_decoys.pdbqt | data/2F/2F14-FL1/2F14-FL1_decoy_scores.csv |
2FDY-D4G | data/2F/2FDY-D4G/2FDY-D4G_ligand.pdbqt | data/2F/2FDY-D4G/2FDY-D4G_target.pdbqt | data/2F/2FDY-D4G/2FDY-D4G_decoys.pdbqt | data/2F/2FDY-D4G/2FDY-D4G_decoy_scores.csv |
2F1G-GNF | data/2F/2F1G-GNF/2F1G-GNF_ligand.pdbqt | data/2F/2F1G-GNF/2F1G-GNF_target.pdbqt | data/2F/2F1G-GNF/2F1G-GNF_decoys.pdbqt | data/2F/2F1G-GNF/2F1G-GNF_decoy_scores.csv |
2FXV-5GP | data/2F/2FXV-5GP/2FXV-5GP_ligand.pdbqt | data/2F/2FXV-5GP/2FXV-5GP_target.pdbqt | data/2F/2FXV-5GP/2FXV-5GP_decoys.pdbqt | data/2F/2FXV-5GP/2FXV-5GP_decoy_scores.csv |
2FSI-ADP | data/2F/2FSI-ADP/2FSI-ADP_ligand.pdbqt | data/2F/2FSI-ADP/2FSI-ADP_target.pdbqt | data/2F/2FSI-ADP/2FSI-ADP_decoys.pdbqt | data/2F/2FSI-ADP/2FSI-ADP_decoy_scores.csv |
2FZZ-5QC | data/2F/2FZZ-5QC/2FZZ-5QC_ligand.pdbqt | data/2F/2FZZ-5QC/2FZZ-5QC_target.pdbqt | data/2F/2FZZ-5QC/2FZZ-5QC_decoys.pdbqt | data/2F/2FZZ-5QC/2FZZ-5QC_decoy_scores.csv |
2FWZ-H71 | data/2F/2FWZ-H71/2FWZ-H71_ligand.pdbqt | data/2F/2FWZ-H71/2FWZ-H71_target.pdbqt | data/2F/2FWZ-H71/2FWZ-H71_decoys.pdbqt | data/2F/2FWZ-H71/2FWZ-H71_decoy_scores.csv |
2FWY-H64 | data/2F/2FWY-H64/2FWY-H64_ligand.pdbqt | data/2F/2FWY-H64/2FWY-H64_target.pdbqt | data/2F/2FWY-H64/2FWY-H64_decoys.pdbqt | data/2F/2FWY-H64/2FWY-H64_decoy_scores.csv |
2FLH-ZEA | data/2F/2FLH-ZEA/2FLH-ZEA_ligand.pdbqt | data/2F/2FLH-ZEA/2FLH-ZEA_target.pdbqt | data/2F/2FLH-ZEA/2FLH-ZEA_decoys.pdbqt | data/2F/2FLH-ZEA/2FLH-ZEA_decoy_scores.csv |
2FQO-HYI | data/2F/2FQO-HYI/2FQO-HYI_ligand.pdbqt | data/2F/2FQO-HYI/2FQO-HYI_target.pdbqt | data/2F/2FQO-HYI/2FQO-HYI_decoys.pdbqt | data/2F/2FQO-HYI/2FQO-HYI_decoy_scores.csv |
2F1J-ADP | data/2F/2F1J-ADP/2F1J-ADP_ligand.pdbqt | data/2F/2F1J-ADP/2F1J-ADP_target.pdbqt | data/2F/2F1J-ADP/2F1J-ADP_decoys.pdbqt | data/2F/2F1J-ADP/2F1J-ADP_decoy_scores.csv |
2FR6-CTN | data/2F/2FR6-CTN/2FR6-CTN_ligand.pdbqt | data/2F/2FR6-CTN/2FR6-CTN_target.pdbqt | data/2F/2FR6-CTN/2FR6-CTN_decoys.pdbqt | data/2F/2FR6-CTN/2FR6-CTN_decoy_scores.csv |
2FV5-541 | data/2F/2FV5-541/2FV5-541_ligand.pdbqt | data/2F/2FV5-541/2FV5-541_target.pdbqt | data/2F/2FV5-541/2FV5-541_decoys.pdbqt | data/2F/2FV5-541/2FV5-541_decoy_scores.csv |
2F1C-C8E | data/2F/2F1C-C8E/2F1C-C8E_ligand.pdbqt | data/2F/2F1C-C8E/2F1C-C8E_target.pdbqt | data/2F/2F1C-C8E/2F1C-C8E_decoys.pdbqt | data/2F/2F1C-C8E/2F1C-C8E_decoy_scores.csv |
2FUB-AZA | data/2F/2FUB-AZA/2FUB-AZA_ligand.pdbqt | data/2F/2FUB-AZA/2FUB-AZA_target.pdbqt | data/2F/2FUB-AZA/2FUB-AZA_decoys.pdbqt | data/2F/2FUB-AZA/2FUB-AZA_decoy_scores.csv |
2FPK-ADP | data/2F/2FPK-ADP/2FPK-ADP_ligand.pdbqt | data/2F/2FPK-ADP/2FPK-ADP_target.pdbqt | data/2F/2FPK-ADP/2FPK-ADP_decoys.pdbqt | data/2F/2FPK-ADP/2FPK-ADP_decoy_scores.csv |
2FL6-N5T | data/2F/2FL6-N5T/2FL6-N5T_ligand.pdbqt | data/2F/2FL6-N5T/2FL6-N5T_target.pdbqt | data/2F/2FL6-N5T/2FL6-N5T_decoys.pdbqt | data/2F/2FL6-N5T/2FL6-N5T_decoy_scores.csv |
2FAQ-ATP | data/2F/2FAQ-ATP/2FAQ-ATP_ligand.pdbqt | data/2F/2FAQ-ATP/2FAQ-ATP_target.pdbqt | data/2F/2FAQ-ATP/2FAQ-ATP_decoys.pdbqt | data/2F/2FAQ-ATP/2FAQ-ATP_decoy_scores.csv |
2FPT-ORO | data/2F/2FPT-ORO/2FPT-ORO_ligand.pdbqt | data/2F/2FPT-ORO/2FPT-ORO_target.pdbqt | data/2F/2FPT-ORO/2FPT-ORO_decoys.pdbqt | data/2F/2FPT-ORO/2FPT-ORO_decoy_scores.csv |
2F2L-HSQ | data/2F/2F2L-HSQ/2F2L-HSQ_ligand.pdbqt | data/2F/2F2L-HSQ/2F2L-HSQ_target.pdbqt | data/2F/2F2L-HSQ/2F2L-HSQ_decoys.pdbqt | data/2F/2F2L-HSQ/2F2L-HSQ_decoy_scores.csv |
2FB3-GTP | data/2F/2FB3-GTP/2FB3-GTP_ligand.pdbqt | data/2F/2FB3-GTP/2FB3-GTP_target.pdbqt | data/2F/2FB3-GTP/2FB3-GTP_decoys.pdbqt | data/2F/2FB3-GTP/2FB3-GTP_decoy_scores.csv |
2FN3-TZD | data/2F/2FN3-TZD/2FN3-TZD_ligand.pdbqt | data/2F/2FN3-TZD/2FN3-TZD_target.pdbqt | data/2F/2FN3-TZD/2FN3-TZD_decoys.pdbqt | data/2F/2FN3-TZD/2FN3-TZD_decoy_scores.csv |
2FVC-888 | data/2F/2FVC-888/2FVC-888_ligand.pdbqt | data/2F/2FVC-888/2FVC-888_target.pdbqt | data/2F/2FVC-888/2FVC-888_decoys.pdbqt | data/2F/2FVC-888/2FVC-888_decoy_scores.csv |
2F6W-UN3 | data/2F/2F6W-UN3/2F6W-UN3_ligand.pdbqt | data/2F/2F6W-UN3/2F6W-UN3_target.pdbqt | data/2F/2F6W-UN3/2F6W-UN3_decoys.pdbqt | data/2F/2F6W-UN3/2F6W-UN3_decoy_scores.csv |
2FB3-5AD | data/2F/2FB3-5AD/2FB3-5AD_ligand.pdbqt | data/2F/2FB3-5AD/2FB3-5AD_target.pdbqt | data/2F/2FB3-5AD/2FB3-5AD_decoys.pdbqt | data/2F/2FB3-5AD/2FB3-5AD_decoy_scores.csv |
2FYC-GDU | data/2F/2FYC-GDU/2FYC-GDU_ligand.pdbqt | data/2F/2FYC-GDU/2FYC-GDU_target.pdbqt | data/2F/2FYC-GDU/2FYC-GDU_decoys.pdbqt | data/2F/2FYC-GDU/2FYC-GDU_decoy_scores.csv |
2FLB-6NH | data/2F/2FLB-6NH/2FLB-6NH_ligand.pdbqt | data/2F/2FLB-6NH/2FLB-6NH_target.pdbqt | data/2F/2FLB-6NH/2FLB-6NH_decoys.pdbqt | data/2F/2FLB-6NH/2FLB-6NH_decoy_scores.csv |
2FNU-PMP | data/2F/2FNU-PMP/2FNU-PMP_ligand.pdbqt | data/2F/2FNU-PMP/2FNU-PMP_target.pdbqt | data/2F/2FNU-PMP/2FNU-PMP_decoys.pdbqt | data/2F/2FNU-PMP/2FNU-PMP_decoy_scores.csv |
2F8J-PMP | data/2F/2F8J-PMP/2F8J-PMP_ligand.pdbqt | data/2F/2F8J-PMP/2F8J-PMP_target.pdbqt | data/2F/2F8J-PMP/2F8J-PMP_decoys.pdbqt | data/2F/2F8J-PMP/2F8J-PMP_decoy_scores.csv |
2FQI-ORO | data/2F/2FQI-ORO/2FQI-ORO_ligand.pdbqt | data/2F/2FQI-ORO/2FQI-ORO_target.pdbqt | data/2F/2FQI-ORO/2FQI-ORO_decoys.pdbqt | data/2F/2FQI-ORO/2FQI-ORO_decoy_scores.csv |
2F59-INI | data/2F/2F59-INI/2F59-INI_ligand.pdbqt | data/2F/2F59-INI/2F59-INI_target.pdbqt | data/2F/2F59-INI/2F59-INI_decoys.pdbqt | data/2F/2F59-INI/2F59-INI_decoy_scores.csv |
2FF5-H53 | data/2F/2FF5-H53/2FF5-H53_ligand.pdbqt | data/2F/2FF5-H53/2FF5-H53_target.pdbqt | data/2F/2FF5-H53/2FF5-H53_decoys.pdbqt | data/2F/2FF5-H53/2FF5-H53_decoy_scores.csv |
2F6Z-UN5 | data/2F/2F6Z-UN5/2F6Z-UN5_ligand.pdbqt | data/2F/2F6Z-UN5/2F6Z-UN5_target.pdbqt | data/2F/2F6Z-UN5/2F6Z-UN5_decoys.pdbqt | data/2F/2F6Z-UN5/2F6Z-UN5_decoy_scores.csv |
2FVJ-RO0 | data/2F/2FVJ-RO0/2FVJ-RO0_ligand.pdbqt | data/2F/2FVJ-RO0/2FVJ-RO0_target.pdbqt | data/2F/2FVJ-RO0/2FVJ-RO0_decoys.pdbqt | data/2F/2FVJ-RO0/2FVJ-RO0_decoy_scores.csv |
2FQT-H1D | data/2F/2FQT-H1D/2FQT-H1D_ligand.pdbqt | data/2F/2FQT-H1D/2FQT-H1D_target.pdbqt | data/2F/2FQT-H1D/2FQT-H1D_decoys.pdbqt | data/2F/2FQT-H1D/2FQT-H1D_decoy_scores.csv |
2FO0-P16 | data/2F/2FO0-P16/2FO0-P16_ligand.pdbqt | data/2F/2FO0-P16/2FO0-P16_target.pdbqt | data/2F/2FO0-P16/2FO0-P16_decoys.pdbqt | data/2F/2FO0-P16/2FO0-P16_decoy_scores.csv |
2FME-3QC | data/2F/2FME-3QC/2FME-3QC_ligand.pdbqt | data/2F/2FME-3QC/2FME-3QC_target.pdbqt | data/2F/2FME-3QC/2FME-3QC_decoys.pdbqt | data/2F/2FME-3QC/2FME-3QC_decoy_scores.csv |
2F69-SAH | data/2F/2F69-SAH/2F69-SAH_ligand.pdbqt | data/2F/2F69-SAH/2F69-SAH_target.pdbqt | data/2F/2F69-SAH/2F69-SAH_decoys.pdbqt | data/2F/2F69-SAH/2F69-SAH_decoy_scores.csv |
2FMG-PHE | data/2F/2FMG-PHE/2FMG-PHE_ligand.pdbqt | data/2F/2FMG-PHE/2FMG-PHE_target.pdbqt | data/2F/2FMG-PHE/2FMG-PHE_decoys.pdbqt | data/2F/2FMG-PHE/2FMG-PHE_decoy_scores.csv |
2FZW-NAD | data/2F/2FZW-NAD/2FZW-NAD_ligand.pdbqt | data/2F/2FZW-NAD/2FZW-NAD_target.pdbqt | data/2F/2FZW-NAD/2FZW-NAD_decoys.pdbqt | data/2F/2FZW-NAD/2FZW-NAD_decoy_scores.csv |
2FQX-GMP | data/2F/2FQX-GMP/2FQX-GMP_ligand.pdbqt | data/2F/2FQX-GMP/2FQX-GMP_target.pdbqt | data/2F/2FQX-GMP/2FQX-GMP_decoys.pdbqt | data/2F/2FQX-GMP/2FQX-GMP_decoy_scores.csv |
2FMZ-DPN | data/2F/2FMZ-DPN/2FMZ-DPN_ligand.pdbqt | data/2F/2FMZ-DPN/2FMZ-DPN_target.pdbqt | data/2F/2FMZ-DPN/2FMZ-DPN_decoys.pdbqt | data/2F/2FMZ-DPN/2FMZ-DPN_decoy_scores.csv |
2FFA-ADP | data/2F/2FFA-ADP/2FFA-ADP_ligand.pdbqt | data/2F/2FFA-ADP/2FFA-ADP_target.pdbqt | data/2F/2FFA-ADP/2FFA-ADP_decoys.pdbqt | data/2F/2FFA-ADP/2FFA-ADP_decoy_scores.csv |
2FYC-UDP | data/2F/2FYC-UDP/2FYC-UDP_ligand.pdbqt | data/2F/2FYC-UDP/2FYC-UDP_target.pdbqt | data/2F/2FYC-UDP/2FYC-UDP_decoys.pdbqt | data/2F/2FYC-UDP/2FYC-UDP_decoy_scores.csv |
2F81-017 | data/2F/2F81-017/2F81-017_ligand.pdbqt | data/2F/2F81-017/2F81-017_target.pdbqt | data/2F/2F81-017/2F81-017_decoys.pdbqt | data/2F/2F81-017/2F81-017_decoy_scores.csv |
2FC0-DGP | data/2F/2FC0-DGP/2FC0-DGP_ligand.pdbqt | data/2F/2FC0-DGP/2FC0-DGP_target.pdbqt | data/2F/2FC0-DGP/2FC0-DGP_decoys.pdbqt | data/2F/2FC0-DGP/2FC0-DGP_decoy_scores.csv |
2F6T-1C2 | data/2F/2F6T-1C2/2F6T-1C2_ligand.pdbqt | data/2F/2F6T-1C2/2F6T-1C2_target.pdbqt | data/2F/2F6T-1C2/2F6T-1C2_decoys.pdbqt | data/2F/2F6T-1C2/2F6T-1C2_decoy_scores.csv |
2F7R-SK3 | data/2F/2F7R-SK3/2F7R-SK3_ligand.pdbqt | data/2F/2F7R-SK3/2F7R-SK3_target.pdbqt | data/2F/2F7R-SK3/2F7R-SK3_decoys.pdbqt | data/2F/2F7R-SK3/2F7R-SK3_decoy_scores.csv |
2F2A-GLN | data/2F/2F2A-GLN/2F2A-GLN_ligand.pdbqt | data/2F/2F2A-GLN/2F2A-GLN_target.pdbqt | data/2F/2F2A-GLN/2F2A-GLN_decoys.pdbqt | data/2F/2F2A-GLN/2F2A-GLN_decoy_scores.csv |
2F12-HTM | data/2F/2F12-HTM/2F12-HTM_ligand.pdbqt | data/2F/2F12-HTM/2F12-HTM_target.pdbqt | data/2F/2F12-HTM/2F12-HTM_decoys.pdbqt | data/2F/2F12-HTM/2F12-HTM_decoy_scores.csv |
2FN8-RIP | data/2F/2FN8-RIP/2FN8-RIP_ligand.pdbqt | data/2F/2FN8-RIP/2FN8-RIP_target.pdbqt | data/2F/2FN8-RIP/2FN8-RIP_decoys.pdbqt | data/2F/2FN8-RIP/2FN8-RIP_decoy_scores.csv |
2FL2-N4T | data/2F/2FL2-N4T/2FL2-N4T_ligand.pdbqt | data/2F/2FL2-N4T/2FL2-N4T_target.pdbqt | data/2F/2FL2-N4T/2FL2-N4T_decoys.pdbqt | data/2F/2FL2-N4T/2FL2-N4T_decoy_scores.csv |
2FME-ADP | data/2F/2FME-ADP/2FME-ADP_ligand.pdbqt | data/2F/2FME-ADP/2FME-ADP_target.pdbqt | data/2F/2FME-ADP/2FME-ADP_decoys.pdbqt | data/2F/2FME-ADP/2FME-ADP_decoy_scores.csv |
2FR5-TYU | data/2F/2FR5-TYU/2FR5-TYU_ligand.pdbqt | data/2F/2FR5-TYU/2FR5-TYU_target.pdbqt | data/2F/2FR5-TYU/2FR5-TYU_decoys.pdbqt | data/2F/2FR5-TYU/2FR5-TYU_decoy_scores.csv |
2F2H-MPO | data/2F/2F2H-MPO/2F2H-MPO_ligand.pdbqt | data/2F/2F2H-MPO/2F2H-MPO_target.pdbqt | data/2F/2F2H-MPO/2F2H-MPO_decoys.pdbqt | data/2F/2F2H-MPO/2F2H-MPO_decoy_scores.csv |
2FWI-AIR | data/2F/2FWI-AIR/2FWI-AIR_ligand.pdbqt | data/2F/2FWI-AIR/2FWI-AIR_target.pdbqt | data/2F/2FWI-AIR/2FWI-AIR_decoys.pdbqt | data/2F/2FWI-AIR/2FWI-AIR_decoy_scores.csv |
2FKY-ADP | data/2F/2FKY-ADP/2FKY-ADP_ligand.pdbqt | data/2F/2FKY-ADP/2FKY-ADP_target.pdbqt | data/2F/2FKY-ADP/2FKY-ADP_decoys.pdbqt | data/2F/2FKY-ADP/2FKY-ADP_decoy_scores.csv |
2F06-HIS | data/2F/2F06-HIS/2F06-HIS_ligand.pdbqt | data/2F/2F06-HIS/2F06-HIS_target.pdbqt | data/2F/2F06-HIS/2F06-HIS_decoys.pdbqt | data/2F/2F06-HIS/2F06-HIS_decoy_scores.csv |
2FC2-HAR | data/2F/2FC2-HAR/2FC2-HAR_ligand.pdbqt | data/2F/2FC2-HAR/2FC2-HAR_target.pdbqt | data/2F/2FC2-HAR/2FC2-HAR_decoys.pdbqt | data/2F/2FC2-HAR/2FC2-HAR_decoy_scores.csv |
2FAE-PM8 | data/2F/2FAE-PM8/2FAE-PM8_ligand.pdbqt | data/2F/2FAE-PM8/2FAE-PM8_target.pdbqt | data/2F/2FAE-PM8/2FAE-PM8_decoys.pdbqt | data/2F/2FAE-PM8/2FAE-PM8_decoy_scores.csv |
2FZS-CMQ | data/2F/2FZS-CMQ/2FZS-CMQ_ligand.pdbqt | data/2F/2FZS-CMQ/2FZS-CMQ_target.pdbqt | data/2F/2FZS-CMQ/2FZS-CMQ_decoys.pdbqt | data/2F/2FZS-CMQ/2FZS-CMQ_decoy_scores.csv |
2FQ6-P3F | data/2F/2FQ6-P3F/2FQ6-P3F_ligand.pdbqt | data/2F/2FQ6-P3F/2FQ6-P3F_target.pdbqt | data/2F/2FQ6-P3F/2FQ6-P3F_decoys.pdbqt | data/2F/2FQ6-P3F/2FQ6-P3F_decoy_scores.csv |
2FZB-TOL | data/2F/2FZB-TOL/2FZB-TOL_ligand.pdbqt | data/2F/2FZB-TOL/2FZB-TOL_target.pdbqt | data/2F/2FZB-TOL/2FZB-TOL_decoys.pdbqt | data/2F/2FZB-TOL/2FZB-TOL_decoy_scores.csv |
2FWJ-AIR | data/2F/2FWJ-AIR/2FWJ-AIR_ligand.pdbqt | data/2F/2FWJ-AIR/2FWJ-AIR_target.pdbqt | data/2F/2FWJ-AIR/2FWJ-AIR_decoys.pdbqt | data/2F/2FWJ-AIR/2FWJ-AIR_decoy_scores.csv |
2F01-BTN | data/2F/2F01-BTN/2F01-BTN_ligand.pdbqt | data/2F/2F01-BTN/2F01-BTN_target.pdbqt | data/2F/2F01-BTN/2F01-BTN_decoys.pdbqt | data/2F/2F01-BTN/2F01-BTN_decoy_scores.csv |
2FM5-M99 | data/2F/2FM5-M99/2FM5-M99_ligand.pdbqt | data/2F/2FM5-M99/2FM5-M99_target.pdbqt | data/2F/2FM5-M99/2FM5-M99_decoys.pdbqt | data/2F/2FM5-M99/2FM5-M99_decoy_scores.csv |
2FVY-BGC | data/2F/2FVY-BGC/2FVY-BGC_ligand.pdbqt | data/2F/2FVY-BGC/2FVY-BGC_target.pdbqt | data/2F/2FVY-BGC/2FVY-BGC_decoys.pdbqt | data/2F/2FVY-BGC/2FVY-BGC_decoy_scores.csv |
2FCT-DSU | data/2F/2FCT-DSU/2FCT-DSU_ligand.pdbqt | data/2F/2FCT-DSU/2FCT-DSU_target.pdbqt | data/2F/2FCT-DSU/2FCT-DSU_decoys.pdbqt | data/2F/2FCT-DSU/2FCT-DSU_decoy_scores.csv |
2FPT-ILB | data/2F/2FPT-ILB/2FPT-ILB_ligand.pdbqt | data/2F/2FPT-ILB/2FPT-ILB_target.pdbqt | data/2F/2FPT-ILB/2FPT-ILB_decoys.pdbqt | data/2F/2FPT-ILB/2FPT-ILB_decoy_scores.csv |
2F3B-F6P | data/2F/2F3B-F6P/2F3B-F6P_ligand.pdbqt | data/2F/2F3B-F6P/2F3B-F6P_target.pdbqt | data/2F/2F3B-F6P/2F3B-F6P_decoys.pdbqt | data/2F/2F3B-F6P/2F3B-F6P_decoy_scores.csv |
2F8L-SAM | data/2F/2F8L-SAM/2F8L-SAM_ligand.pdbqt | data/2F/2F8L-SAM/2F8L-SAM_target.pdbqt | data/2F/2F8L-SAM/2F8L-SAM_decoys.pdbqt | data/2F/2F8L-SAM/2F8L-SAM_decoy_scores.csv |
2FYD-UDP | data/2F/2FYD-UDP/2FYD-UDP_ligand.pdbqt | data/2F/2FYD-UDP/2FYD-UDP_target.pdbqt | data/2F/2FYD-UDP/2FYD-UDP_decoys.pdbqt | data/2F/2FYD-UDP/2FYD-UDP_decoy_scores.csv |
2FGU-DIQ | data/2F/2FGU-DIQ/2FGU-DIQ_ligand.pdbqt | data/2F/2FGU-DIQ/2FGU-DIQ_target.pdbqt | data/2F/2FGU-DIQ/2FGU-DIQ_decoys.pdbqt | data/2F/2FGU-DIQ/2FGU-DIQ_decoy_scores.csv |
2FPV-ORO | data/2F/2FPV-ORO/2FPV-ORO_ligand.pdbqt | data/2F/2FPV-ORO/2FPV-ORO_target.pdbqt | data/2F/2FPV-ORO/2FPV-ORO_decoys.pdbqt | data/2F/2FPV-ORO/2FPV-ORO_decoy_scores.csv |
2FBZ-H2B | data/2F/2FBZ-H2B/2FBZ-H2B_ligand.pdbqt | data/2F/2FBZ-H2B/2FBZ-H2B_target.pdbqt | data/2F/2FBZ-H2B/2FBZ-H2B_decoys.pdbqt | data/2F/2FBZ-H2B/2FBZ-H2B_decoy_scores.csv |
2FHJ-PE4 | data/2F/2FHJ-PE4/2FHJ-PE4_ligand.pdbqt | data/2F/2FHJ-PE4/2FHJ-PE4_target.pdbqt | data/2F/2FHJ-PE4/2FHJ-PE4_decoys.pdbqt | data/2F/2FHJ-PE4/2FHJ-PE4_decoy_scores.csv |
2F08-P4C | data/2F/2F08-P4C/2F08-P4C_ligand.pdbqt | data/2F/2F08-P4C/2F08-P4C_target.pdbqt | data/2F/2F08-P4C/2F08-P4C_decoys.pdbqt | data/2F/2F08-P4C/2F08-P4C_decoy_scores.csv |
2FCV-DSU | data/2F/2FCV-DSU/2FCV-DSU_ligand.pdbqt | data/2F/2FCV-DSU/2FCV-DSU_target.pdbqt | data/2F/2FCV-DSU/2FCV-DSU_decoys.pdbqt | data/2F/2FCV-DSU/2FCV-DSU_decoy_scores.csv |
2FHR-FSI | data/2F/2FHR-FSI/2FHR-FSI_ligand.pdbqt | data/2F/2FHR-FSI/2FHR-FSI_target.pdbqt | data/2F/2FHR-FSI/2FHR-FSI_decoys.pdbqt | data/2F/2FHR-FSI/2FHR-FSI_decoy_scores.csv |
2FHJ-PE3 | data/2F/2FHJ-PE3/2FHJ-PE3_ligand.pdbqt | data/2F/2FHJ-PE3/2FHJ-PE3_target.pdbqt | data/2F/2FHJ-PE3/2FHJ-PE3_decoys.pdbqt | data/2F/2FHJ-PE3/2FHJ-PE3_decoy_scores.csv |
2FT2-C28 | data/2F/2FT2-C28/2FT2-C28_ligand.pdbqt | data/2F/2FT2-C28/2FT2-C28_target.pdbqt | data/2F/2FT2-C28/2FT2-C28_decoys.pdbqt | data/2F/2FT2-C28/2FT2-C28_decoy_scores.csv |
2FWP-ICR | data/2F/2FWP-ICR/2FWP-ICR_ligand.pdbqt | data/2F/2FWP-ICR/2FWP-ICR_target.pdbqt | data/2F/2FWP-ICR/2FWP-ICR_decoys.pdbqt | data/2F/2FWP-ICR/2FWP-ICR_decoy_scores.csv |
2FW3-BUI | data/2F/2FW3-BUI/2FW3-BUI_ligand.pdbqt | data/2F/2FW3-BUI/2FW3-BUI_target.pdbqt | data/2F/2FW3-BUI/2FW3-BUI_decoys.pdbqt | data/2F/2FW3-BUI/2FW3-BUI_decoy_scores.csv |
2FRA-CRV | data/2F/2FRA-CRV/2FRA-CRV_ligand.pdbqt | data/2F/2FRA-CRV/2FRA-CRV_target.pdbqt | data/2F/2FRA-CRV/2FRA-CRV_decoys.pdbqt | data/2F/2FRA-CRV/2FRA-CRV_decoy_scores.csv |
2FJM-073 | data/2F/2FJM-073/2FJM-073_ligand.pdbqt | data/2F/2FJM-073/2FJM-073_target.pdbqt | data/2F/2FJM-073/2FJM-073_decoys.pdbqt | data/2F/2FJM-073/2FJM-073_decoy_scores.csv |
2FWW-C1R | data/2F/2FWW-C1R/2FWW-C1R_ligand.pdbqt | data/2F/2FWW-C1R/2FWW-C1R_target.pdbqt | data/2F/2FWW-C1R/2FWW-C1R_decoys.pdbqt | data/2F/2FWW-C1R/2FWW-C1R_decoy_scores.csv |
2F7O-MSN | data/2F/2F7O-MSN/2F7O-MSN_ligand.pdbqt | data/2F/2F7O-MSN/2F7O-MSN_target.pdbqt | data/2F/2F7O-MSN/2F7O-MSN_decoys.pdbqt | data/2F/2F7O-MSN/2F7O-MSN_decoy_scores.csv |
2FK8-SAM | data/2F/2FK8-SAM/2FK8-SAM_ligand.pdbqt | data/2F/2FK8-SAM/2FK8-SAM_target.pdbqt | data/2F/2FK8-SAM/2FK8-SAM_decoys.pdbqt | data/2F/2FK8-SAM/2FK8-SAM_decoy_scores.csv |
2F6V-SK2 | data/2F/2F6V-SK2/2F6V-SK2_ligand.pdbqt | data/2F/2F6V-SK2/2F6V-SK2_target.pdbqt | data/2F/2F6V-SK2/2F6V-SK2_decoys.pdbqt | data/2F/2F6V-SK2/2F6V-SK2_decoy_scores.csv |
2FV9-002 | data/2F/2FV9-002/2FV9-002_ligand.pdbqt | data/2F/2FV9-002/2FV9-002_target.pdbqt | data/2F/2FV9-002/2FV9-002_decoys.pdbqt | data/2F/2FV9-002/2FV9-002_decoy_scores.csv |
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