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 ⌀ |
|---|---|---|---|---|
3FO9-DIK | data/3F/3FO9-DIK/3FO9-DIK_ligand.pdbqt | data/3F/3FO9-DIK/3FO9-DIK_target.pdbqt | data/3F/3FO9-DIK/3FO9-DIK_decoys.pdbqt | data/3F/3FO9-DIK/3FO9-DIK_decoy_scores.csv |
3FYO-PEP | data/3F/3FYO-PEP/3FYO-PEP_ligand.pdbqt | data/3F/3FYO-PEP/3FYO-PEP_target.pdbqt | data/3F/3FYO-PEP/3FYO-PEP_decoys.pdbqt | data/3F/3FYO-PEP/3FYO-PEP_decoy_scores.csv |
3FFA-GSP | data/3F/3FFA-GSP/3FFA-GSP_ligand.pdbqt | data/3F/3FFA-GSP/3FFA-GSP_target.pdbqt | data/3F/3FFA-GSP/3FFA-GSP_decoys.pdbqt | data/3F/3FFA-GSP/3FFA-GSP_decoy_scores.csv |
3FJG-3PG | data/3F/3FJG-3PG/3FJG-3PG_ligand.pdbqt | data/3F/3FJG-3PG/3FJG-3PG_target.pdbqt | data/3F/3FJG-3PG/3FJG-3PG_decoys.pdbqt | data/3F/3FJG-3PG/3FJG-3PG_decoy_scores.csv |
3FFR-P33 | data/3F/3FFR-P33/3FFR-P33_ligand.pdbqt | data/3F/3FFR-P33/3FFR-P33_target.pdbqt | data/3F/3FFR-P33/3FFR-P33_decoys.pdbqt | data/3F/3FFR-P33/3FFR-P33_decoy_scores.csv |
3F8W-ADN | data/3F/3F8W-ADN/3F8W-ADN_ligand.pdbqt | data/3F/3F8W-ADN/3F8W-ADN_target.pdbqt | data/3F/3F8W-ADN/3F8W-ADN_decoys.pdbqt | data/3F/3F8W-ADN/3F8W-ADN_decoy_scores.csv |
3FAT-AMQ | data/3F/3FAT-AMQ/3FAT-AMQ_ligand.pdbqt | data/3F/3FAT-AMQ/3FAT-AMQ_target.pdbqt | data/3F/3FAT-AMQ/3FAT-AMQ_decoys.pdbqt | data/3F/3FAT-AMQ/3FAT-AMQ_decoy_scores.csv |
3FNE-NAD | data/3F/3FNE-NAD/3FNE-NAD_ligand.pdbqt | data/3F/3FNE-NAD/3FNE-NAD_target.pdbqt | data/3F/3FNE-NAD/3FNE-NAD_decoys.pdbqt | data/3F/3FNE-NAD/3FNE-NAD_decoy_scores.csv |
3FRC-0HG | data/3F/3FRC-0HG/3FRC-0HG_ligand.pdbqt | data/3F/3FRC-0HG/3FRC-0HG_target.pdbqt | data/3F/3FRC-0HG/3FRC-0HG_decoys.pdbqt | data/3F/3FRC-0HG/3FRC-0HG_decoy_scores.csv |
3F9Z-SAH | data/3F/3F9Z-SAH/3F9Z-SAH_ligand.pdbqt | data/3F/3F9Z-SAH/3F9Z-SAH_target.pdbqt | data/3F/3F9Z-SAH/3F9Z-SAH_decoys.pdbqt | data/3F/3F9Z-SAH/3F9Z-SAH_decoy_scores.csv |
3FV1-DYH | data/3F/3FV1-DYH/3FV1-DYH_ligand.pdbqt | data/3F/3FV1-DYH/3FV1-DYH_target.pdbqt | data/3F/3FV1-DYH/3FV1-DYH_decoys.pdbqt | data/3F/3FV1-DYH/3FV1-DYH_decoy_scores.csv |
3FRL-211 | data/3F/3FRL-211/3FRL-211_ligand.pdbqt | data/3F/3FRL-211/3FRL-211_target.pdbqt | data/3F/3FRL-211/3FRL-211_decoys.pdbqt | data/3F/3FRL-211/3FRL-211_decoy_scores.csv |
3FTU-RE2 | data/3F/3FTU-RE2/3FTU-RE2_ligand.pdbqt | data/3F/3FTU-RE2/3FTU-RE2_target.pdbqt | null | null |
3FUM-80A | data/3F/3FUM-80A/3FUM-80A_ligand.pdbqt | data/3F/3FUM-80A/3FUM-80A_target.pdbqt | null | null |
3FX6-BPX | data/3F/3FX6-BPX/3FX6-BPX_ligand.pdbqt | data/3F/3FX6-BPX/3FX6-BPX_target.pdbqt | data/3F/3FX6-BPX/3FX6-BPX_decoys.pdbqt | data/3F/3FX6-BPX/3FX6-BPX_decoy_scores.csv |
3FWS-ANP | data/3F/3FWS-ANP/3FWS-ANP_ligand.pdbqt | data/3F/3FWS-ANP/3FWS-ANP_target.pdbqt | data/3F/3FWS-ANP/3FWS-ANP_decoys.pdbqt | data/3F/3FWS-ANP/3FWS-ANP_decoy_scores.csv |
3F70-MLZ | data/3F/3F70-MLZ/3F70-MLZ_ligand.pdbqt | data/3F/3F70-MLZ/3F70-MLZ_target.pdbqt | data/3F/3F70-MLZ/3F70-MLZ_decoys.pdbqt | data/3F/3F70-MLZ/3F70-MLZ_decoy_scores.csv |
3FCL-3FL | data/3F/3FCL-3FL/3FCL-3FL_ligand.pdbqt | data/3F/3FCL-3FL/3FCL-3FL_target.pdbqt | data/3F/3FCL-3FL/3FCL-3FL_decoys.pdbqt | data/3F/3FCL-3FL/3FCL-3FL_decoy_scores.csv |
3FNF-JPM | data/3F/3FNF-JPM/3FNF-JPM_ligand.pdbqt | data/3F/3FNF-JPM/3FNF-JPM_target.pdbqt | data/3F/3FNF-JPM/3FNF-JPM_decoys.pdbqt | data/3F/3FNF-JPM/3FNF-JPM_decoy_scores.csv |
3FPD-SAH | data/3F/3FPD-SAH/3FPD-SAH_ligand.pdbqt | data/3F/3FPD-SAH/3FPD-SAH_target.pdbqt | data/3F/3FPD-SAH/3FPD-SAH_decoys.pdbqt | data/3F/3FPD-SAH/3FPD-SAH_decoy_scores.csv |
3FYI-DMU | data/3F/3FYI-DMU/3FYI-DMU_ligand.pdbqt | data/3F/3FYI-DMU/3FYI-DMU_target.pdbqt | data/3F/3FYI-DMU/3FYI-DMU_decoys.pdbqt | data/3F/3FYI-DMU/3FYI-DMU_decoy_scores.csv |
3FTX-BES | data/3F/3FTX-BES/3FTX-BES_ligand.pdbqt | data/3F/3FTX-BES/3FTX-BES_target.pdbqt | null | null |
3F8A-LSR | data/3F/3F8A-LSR/3F8A-LSR_ligand.pdbqt | data/3F/3F8A-LSR/3F8A-LSR_target.pdbqt | data/3F/3F8A-LSR/3F8A-LSR_decoys.pdbqt | data/3F/3F8A-LSR/3F8A-LSR_decoy_scores.csv |
3FRI-SAH | data/3F/3FRI-SAH/3FRI-SAH_ligand.pdbqt | data/3F/3FRI-SAH/3FRI-SAH_target.pdbqt | data/3F/3FRI-SAH/3FRI-SAH_decoys.pdbqt | data/3F/3FRI-SAH/3FRI-SAH_decoy_scores.csv |
3F36-IP0 | data/3F/3F36-IP0/3F36-IP0_ligand.pdbqt | data/3F/3F36-IP0/3F36-IP0_target.pdbqt | data/3F/3F36-IP0/3F36-IP0_decoys.pdbqt | data/3F/3F36-IP0/3F36-IP0_decoy_scores.csv |
3FUR-Z12 | data/3F/3FUR-Z12/3FUR-Z12_ligand.pdbqt | data/3F/3FUR-Z12/3FUR-Z12_target.pdbqt | data/3F/3FUR-Z12/3FUR-Z12_decoys.pdbqt | data/3F/3FUR-Z12/3FUR-Z12_decoy_scores.csv |
3FLN-3FN | data/3F/3FLN-3FN/3FLN-3FN_ligand.pdbqt | data/3F/3FLN-3FN/3FLN-3FN_target.pdbqt | data/3F/3FLN-3FN/3FLN-3FN_decoys.pdbqt | data/3F/3FLN-3FN/3FLN-3FN_decoy_scores.csv |
3FO1-BZH | data/3F/3FO1-BZH/3FO1-BZH_ligand.pdbqt | data/3F/3FO1-BZH/3FO1-BZH_target.pdbqt | data/3F/3FO1-BZH/3FO1-BZH_decoys.pdbqt | data/3F/3FO1-BZH/3FO1-BZH_decoy_scores.csv |
3FNG-NAD | data/3F/3FNG-NAD/3FNG-NAD_ligand.pdbqt | data/3F/3FNG-NAD/3FNG-NAD_target.pdbqt | data/3F/3FNG-NAD/3FNG-NAD_decoys.pdbqt | data/3F/3FNG-NAD/3FNG-NAD_decoy_scores.csv |
3FPF-MTA | data/3F/3FPF-MTA/3FPF-MTA_ligand.pdbqt | data/3F/3FPF-MTA/3FPF-MTA_target.pdbqt | data/3F/3FPF-MTA/3FPF-MTA_decoys.pdbqt | data/3F/3FPF-MTA/3FPF-MTA_decoy_scores.csv |
3F0V-52V | data/3F/3F0V-52V/3F0V-52V_ligand.pdbqt | data/3F/3F0V-52V/3F0V-52V_target.pdbqt | data/3F/3F0V-52V/3F0V-52V_decoys.pdbqt | data/3F/3F0V-52V/3F0V-52V_decoy_scores.csv |
3F2N-IZZ | data/3F/3F2N-IZZ/3F2N-IZZ_ligand.pdbqt | data/3F/3F2N-IZZ/3F2N-IZZ_target.pdbqt | data/3F/3F2N-IZZ/3F2N-IZZ_decoys.pdbqt | data/3F/3F2N-IZZ/3F2N-IZZ_decoy_scores.csv |
3F63-GTX | data/3F/3F63-GTX/3F63-GTX_ligand.pdbqt | data/3F/3F63-GTX/3F63-GTX_target.pdbqt | data/3F/3F63-GTX/3F63-GTX_decoys.pdbqt | data/3F/3F63-GTX/3F63-GTX_decoy_scores.csv |
3F6R-FMN | data/3F/3F6R-FMN/3F6R-FMN_ligand.pdbqt | data/3F/3F6R-FMN/3F6R-FMN_target.pdbqt | data/3F/3F6R-FMN/3F6R-FMN_decoys.pdbqt | data/3F/3F6R-FMN/3F6R-FMN_decoy_scores.csv |
3FHB-GAB | data/3F/3FHB-GAB/3FHB-GAB_ligand.pdbqt | data/3F/3FHB-GAB/3FHB-GAB_target.pdbqt | data/3F/3FHB-GAB/3FHB-GAB_decoys.pdbqt | data/3F/3FHB-GAB/3FHB-GAB_decoy_scores.csv |
3FV4-1U4 | data/3F/3FV4-1U4/3FV4-1U4_ligand.pdbqt | data/3F/3FV4-1U4/3FV4-1U4_target.pdbqt | data/3F/3FV4-1U4/3FV4-1U4_decoys.pdbqt | data/3F/3FV4-1U4/3FV4-1U4_decoy_scores.csv |
3FXV-643 | data/3F/3FXV-643/3FXV-643_ligand.pdbqt | data/3F/3FXV-643/3FXV-643_target.pdbqt | data/3F/3FXV-643/3FXV-643_decoys.pdbqt | data/3F/3FXV-643/3FXV-643_decoy_scores.csv |
3FVN-9DX | data/3F/3FVN-9DX/3FVN-9DX_ligand.pdbqt | data/3F/3FVN-9DX/3FVN-9DX_target.pdbqt | data/3F/3FVN-9DX/3FVN-9DX_decoys.pdbqt | data/3F/3FVN-9DX/3FVN-9DX_decoy_scores.csv |
3FL0-CGP | data/3F/3FL0-CGP/3FL0-CGP_ligand.pdbqt | data/3F/3FL0-CGP/3FL0-CGP_target.pdbqt | data/3F/3FL0-CGP/3FL0-CGP_decoys.pdbqt | data/3F/3FL0-CGP/3FL0-CGP_decoy_scores.csv |
3FE9-CMJ | data/3F/3FE9-CMJ/3FE9-CMJ_ligand.pdbqt | data/3F/3FE9-CMJ/3FE9-CMJ_target.pdbqt | data/3F/3FE9-CMJ/3FE9-CMJ_decoys.pdbqt | data/3F/3FE9-CMJ/3FE9-CMJ_decoy_scores.csv |
3FZS-B96 | data/3F/3FZS-B96/3FZS-B96_ligand.pdbqt | data/3F/3FZS-B96/3FZS-B96_target.pdbqt | data/3F/3FZS-B96/3FZS-B96_decoys.pdbqt | data/3F/3FZS-B96/3FZS-B96_decoy_scores.csv |
3FHX-PXL | data/3F/3FHX-PXL/3FHX-PXL_ligand.pdbqt | data/3F/3FHX-PXL/3FHX-PXL_target.pdbqt | data/3F/3FHX-PXL/3FHX-PXL_decoys.pdbqt | data/3F/3FHX-PXL/3FHX-PXL_decoy_scores.csv |
3FUE-11S | data/3F/3FUE-11S/3FUE-11S_ligand.pdbqt | data/3F/3FUE-11S/3FUE-11S_target.pdbqt | null | null |
3FD5-AP2 | data/3F/3FD5-AP2/3FD5-AP2_ligand.pdbqt | data/3F/3FD5-AP2/3FD5-AP2_target.pdbqt | data/3F/3FD5-AP2/3FD5-AP2_decoys.pdbqt | data/3F/3FD5-AP2/3FD5-AP2_decoy_scores.csv |
3FVK-8DX | data/3F/3FVK-8DX/3FVK-8DX_ligand.pdbqt | data/3F/3FVK-8DX/3FVK-8DX_target.pdbqt | data/3F/3FVK-8DX/3FVK-8DX_decoys.pdbqt | data/3F/3FVK-8DX/3FVK-8DX_decoy_scores.csv |
3FNF-NAD | data/3F/3FNF-NAD/3FNF-NAD_ligand.pdbqt | data/3F/3FNF-NAD/3FNF-NAD_target.pdbqt | data/3F/3FNF-NAD/3FNF-NAD_decoys.pdbqt | data/3F/3FNF-NAD/3FNF-NAD_decoy_scores.csv |
3F3U-1AW | data/3F/3F3U-1AW/3F3U-1AW_ligand.pdbqt | data/3F/3F3U-1AW/3F3U-1AW_target.pdbqt | data/3F/3F3U-1AW/3F3U-1AW_decoys.pdbqt | data/3F/3F3U-1AW/3F3U-1AW_decoy_scores.csv |
3F18-HS5 | data/3F/3F18-HS5/3F18-HS5_ligand.pdbqt | data/3F/3F18-HS5/3F18-HS5_target.pdbqt | data/3F/3F18-HS5/3F18-HS5_decoys.pdbqt | data/3F/3F18-HS5/3F18-HS5_decoy_scores.csv |
3FWY-ADP | data/3F/3FWY-ADP/3FWY-ADP_ligand.pdbqt | data/3F/3FWY-ADP/3FWY-ADP_target.pdbqt | data/3F/3FWY-ADP/3FWY-ADP_decoys.pdbqt | data/3F/3FWY-ADP/3FWY-ADP_decoy_scores.csv |
3FPZ-AHZ | data/3F/3FPZ-AHZ/3FPZ-AHZ_ligand.pdbqt | data/3F/3FPZ-AHZ/3FPZ-AHZ_target.pdbqt | data/3F/3FPZ-AHZ/3FPZ-AHZ_decoys.pdbqt | data/3F/3FPZ-AHZ/3FPZ-AHZ_decoy_scores.csv |
3F4B-NAD | data/3F/3F4B-NAD/3F4B-NAD_ligand.pdbqt | data/3F/3F4B-NAD/3F4B-NAD_target.pdbqt | data/3F/3F4B-NAD/3F4B-NAD_decoys.pdbqt | data/3F/3F4B-NAD/3F4B-NAD_decoy_scores.csv |
3FQV-11F | data/3F/3FQV-11F/3FQV-11F_ligand.pdbqt | data/3F/3FQV-11F/3FQV-11F_target.pdbqt | data/3F/3FQV-11F/3FQV-11F_decoys.pdbqt | data/3F/3FQV-11F/3FQV-11F_decoy_scores.csv |
3FMH-533 | data/3F/3FMH-533/3FMH-533_ligand.pdbqt | data/3F/3FMH-533/3FMH-533_target.pdbqt | data/3F/3FMH-533/3FMH-533_decoys.pdbqt | data/3F/3FMH-533/3FMH-533_decoy_scores.csv |
3F5O-UOC | data/3F/3F5O-UOC/3F5O-UOC_ligand.pdbqt | data/3F/3F5O-UOC/3F5O-UOC_target.pdbqt | data/3F/3F5O-UOC/3F5O-UOC_decoys.pdbqt | data/3F/3F5O-UOC/3F5O-UOC_decoy_scores.csv |
3F8Y-DH1 | data/3F/3F8Y-DH1/3F8Y-DH1_ligand.pdbqt | data/3F/3F8Y-DH1/3F8Y-DH1_target.pdbqt | data/3F/3F8Y-DH1/3F8Y-DH1_decoys.pdbqt | data/3F/3F8Y-DH1/3F8Y-DH1_decoy_scores.csv |
3FWI-CAM | data/3F/3FWI-CAM/3FWI-CAM_ligand.pdbqt | data/3F/3FWI-CAM/3FWI-CAM_target.pdbqt | data/3F/3FWI-CAM/3FWI-CAM_decoys.pdbqt | data/3F/3FWI-CAM/3FWI-CAM_decoy_scores.csv |
3FCF-FCF | data/3F/3FCF-FCF/3FCF-FCF_ligand.pdbqt | data/3F/3FCF-FCF/3FCF-FCF_target.pdbqt | data/3F/3FCF-FCF/3FCF-FCF_decoys.pdbqt | data/3F/3FCF-FCF/3FCF-FCF_decoy_scores.csv |
3FRG-SK4 | data/3F/3FRG-SK4/3FRG-SK4_ligand.pdbqt | data/3F/3FRG-SK4/3FRG-SK4_target.pdbqt | null | null |
3F4X-KLT | data/3F/3F4X-KLT/3F4X-KLT_ligand.pdbqt | data/3F/3F4X-KLT/3F4X-KLT_target.pdbqt | data/3F/3F4X-KLT/3F4X-KLT_decoys.pdbqt | data/3F/3F4X-KLT/3F4X-KLT_decoy_scores.csv |
3F8C-HT1 | data/3F/3F8C-HT1/3F8C-HT1_ligand.pdbqt | data/3F/3F8C-HT1/3F8C-HT1_target.pdbqt | data/3F/3F8C-HT1/3F8C-HT1_decoys.pdbqt | data/3F/3F8C-HT1/3F8C-HT1_decoy_scores.csv |
3FQS-585 | data/3F/3FQS-585/3FQS-585_ligand.pdbqt | data/3F/3FQS-585/3FQS-585_target.pdbqt | data/3F/3FQS-585/3FQS-585_decoys.pdbqt | data/3F/3FQS-585/3FQS-585_decoy_scores.csv |
3FPF-TNA | data/3F/3FPF-TNA/3FPF-TNA_ligand.pdbqt | data/3F/3FPF-TNA/3FPF-TNA_target.pdbqt | data/3F/3FPF-TNA/3FPF-TNA_decoys.pdbqt | data/3F/3FPF-TNA/3FPF-TNA_decoy_scores.csv |
3FWN-ATR | data/3F/3FWN-ATR/3FWN-ATR_ligand.pdbqt | data/3F/3FWN-ATR/3FWN-ATR_target.pdbqt | data/3F/3FWN-ATR/3FWN-ATR_decoys.pdbqt | data/3F/3FWN-ATR/3FWN-ATR_decoy_scores.csv |
3F17-HS4 | data/3F/3F17-HS4/3F17-HS4_ligand.pdbqt | data/3F/3F17-HS4/3F17-HS4_target.pdbqt | data/3F/3F17-HS4/3F17-HS4_decoys.pdbqt | data/3F/3F17-HS4/3F17-HS4_decoy_scores.csv |
3FR5-I4A | data/3F/3FR5-I4A/3FR5-I4A_ligand.pdbqt | data/3F/3FR5-I4A/3FR5-I4A_target.pdbqt | data/3F/3FR5-I4A/3FR5-I4A_decoys.pdbqt | data/3F/3FR5-I4A/3FR5-I4A_decoy_scores.csv |
3F9Y-SAH | data/3F/3F9Y-SAH/3F9Y-SAH_ligand.pdbqt | data/3F/3F9Y-SAH/3F9Y-SAH_target.pdbqt | data/3F/3F9Y-SAH/3F9Y-SAH_decoys.pdbqt | data/3F/3F9Y-SAH/3F9Y-SAH_decoy_scores.csv |
3F3Y-A3P | data/3F/3F3Y-A3P/3F3Y-A3P_ligand.pdbqt | data/3F/3F3Y-A3P/3F3Y-A3P_target.pdbqt | data/3F/3F3Y-A3P/3F3Y-A3P_decoys.pdbqt | data/3F/3F3Y-A3P/3F3Y-A3P_decoy_scores.csv |
3FIT-A | data/3F/3FIT-A/3FIT-A_ligand.pdbqt | data/3F/3FIT-A/3FIT-A_target.pdbqt | data/3F/3FIT-A/3FIT-A_decoys.pdbqt | data/3F/3FIT-A/3FIT-A_decoy_scores.csv |
3FV8-JK3 | data/3F/3FV8-JK3/3FV8-JK3_ligand.pdbqt | data/3F/3FV8-JK3/3FV8-JK3_target.pdbqt | data/3F/3FV8-JK3/3FV8-JK3_decoys.pdbqt | data/3F/3FV8-JK3/3FV8-JK3_decoy_scores.csv |
3FNG-JPL | data/3F/3FNG-JPL/3FNG-JPL_ligand.pdbqt | data/3F/3FNG-JPL/3FNG-JPL_target.pdbqt | data/3F/3FNG-JPL/3FNG-JPL_decoys.pdbqt | data/3F/3FNG-JPL/3FNG-JPL_decoy_scores.csv |
3FZK-3BK | data/3F/3FZK-3BK/3FZK-3BK_ligand.pdbqt | data/3F/3FZK-3BK/3FZK-3BK_target.pdbqt | data/3F/3FZK-3BK/3FZK-3BK_decoys.pdbqt | data/3F/3FZK-3BK/3FZK-3BK_decoy_scores.csv |
3F68-91U | data/3F/3F68-91U/3F68-91U_ligand.pdbqt | data/3F/3F68-91U/3F68-91U_target.pdbqt | data/3F/3F68-91U/3F68-91U_decoys.pdbqt | data/3F/3F68-91U/3F68-91U_decoy_scores.csv |
3FJ6-CIH | data/3F/3FJ6-CIH/3FJ6-CIH_ligand.pdbqt | data/3F/3FJ6-CIH/3FJ6-CIH_target.pdbqt | data/3F/3FJ6-CIH/3FJ6-CIH_decoys.pdbqt | data/3F/3FJ6-CIH/3FJ6-CIH_decoy_scores.csv |
3FC2-IBI | data/3F/3FC2-IBI/3FC2-IBI_ligand.pdbqt | data/3F/3FC2-IBI/3FC2-IBI_target.pdbqt | data/3F/3FC2-IBI/3FC2-IBI_decoys.pdbqt | data/3F/3FC2-IBI/3FC2-IBI_decoy_scores.csv |
3F3S-NAD | data/3F/3F3S-NAD/3F3S-NAD_ligand.pdbqt | data/3F/3F3S-NAD/3F3S-NAD_target.pdbqt | data/3F/3F3S-NAD/3F3S-NAD_decoys.pdbqt | data/3F/3F3S-NAD/3F3S-NAD_decoy_scores.csv |
3FIU-AMP | data/3F/3FIU-AMP/3FIU-AMP_ligand.pdbqt | data/3F/3FIU-AMP/3FIU-AMP_target.pdbqt | data/3F/3FIU-AMP/3FIU-AMP_decoys.pdbqt | data/3F/3FIU-AMP/3FIU-AMP_decoy_scores.csv |
3F8F-DM1 | data/3F/3F8F-DM1/3F8F-DM1_ligand.pdbqt | data/3F/3F8F-DM1/3F8F-DM1_target.pdbqt | data/3F/3F8F-DM1/3F8F-DM1_decoys.pdbqt | data/3F/3F8F-DM1/3F8F-DM1_decoy_scores.csv |
3F7U-AG4 | data/3F/3F7U-AG4/3F7U-AG4_ligand.pdbqt | data/3F/3F7U-AG4/3F7U-AG4_target.pdbqt | data/3F/3F7U-AG4/3F7U-AG4_decoys.pdbqt | data/3F/3F7U-AG4/3F7U-AG4_decoy_scores.csv |
3F7B-AG5 | data/3F/3F7B-AG5/3F7B-AG5_ligand.pdbqt | data/3F/3F7B-AG5/3F7B-AG5_target.pdbqt | data/3F/3F7B-AG5/3F7B-AG5_decoys.pdbqt | data/3F/3F7B-AG5/3F7B-AG5_decoy_scores.csv |
4FV5-EK9 | data/4F/4FV5-EK9/4FV5-EK9_ligand.pdbqt | data/4F/4FV5-EK9/4FV5-EK9_target.pdbqt | data/4F/4FV5-EK9/4FV5-EK9_decoys.pdbqt | data/4F/4FV5-EK9/4FV5-EK9_decoy_scores.csv |
4FOX-UMP | data/4F/4FOX-UMP/4FOX-UMP_ligand.pdbqt | data/4F/4FOX-UMP/4FOX-UMP_target.pdbqt | data/4F/4FOX-UMP/4FOX-UMP_decoys.pdbqt | data/4F/4FOX-UMP/4FOX-UMP_decoy_scores.csv |
4FVN-0VW | data/4F/4FVN-0VW/4FVN-0VW_ligand.pdbqt | data/4F/4FVN-0VW/4FVN-0VW_target.pdbqt | data/4F/4FVN-0VW/4FVN-0VW_decoys.pdbqt | data/4F/4FVN-0VW/4FVN-0VW_decoy_scores.csv |
4FR8-BTB | data/4F/4FR8-BTB/4FR8-BTB_ligand.pdbqt | data/4F/4FR8-BTB/4FR8-BTB_target.pdbqt | data/4F/4FR8-BTB/4FR8-BTB_decoys.pdbqt | data/4F/4FR8-BTB/4FR8-BTB_decoy_scores.csv |
4FBA-ADE | data/4F/4FBA-ADE/4FBA-ADE_ligand.pdbqt | data/4F/4FBA-ADE/4FBA-ADE_target.pdbqt | data/4F/4FBA-ADE/4FBA-ADE_decoys.pdbqt | data/4F/4FBA-ADE/4FBA-ADE_decoy_scores.csv |
4FOC-0UU | data/4F/4FOC-0UU/4FOC-0UU_ligand.pdbqt | data/4F/4FOC-0UU/4FOC-0UU_target.pdbqt | data/4F/4FOC-0UU/4FOC-0UU_decoys.pdbqt | data/4F/4FOC-0UU/4FOC-0UU_decoy_scores.csv |
4FPT-0VZ | data/4F/4FPT-0VZ/4FPT-0VZ_ligand.pdbqt | data/4F/4FPT-0VZ/4FPT-0VZ_target.pdbqt | data/4F/4FPT-0VZ/4FPT-0VZ_decoys.pdbqt | data/4F/4FPT-0VZ/4FPT-0VZ_decoy_scores.csv |
4FRP-UDP | data/4F/4FRP-UDP/4FRP-UDP_ligand.pdbqt | data/4F/4FRP-UDP/4FRP-UDP_target.pdbqt | data/4F/4FRP-UDP/4FRP-UDP_decoys.pdbqt | data/4F/4FRP-UDP/4FRP-UDP_decoy_scores.csv |
4FXR-BMP | data/4F/4FXR-BMP/4FXR-BMP_ligand.pdbqt | data/4F/4FXR-BMP/4FXR-BMP_target.pdbqt | data/4F/4FXR-BMP/4FXR-BMP_decoys.pdbqt | data/4F/4FXR-BMP/4FXR-BMP_decoy_scores.csv |
4FEQ-0T8 | data/4F/4FEQ-0T8/4FEQ-0T8_ligand.pdbqt | data/4F/4FEQ-0T8/4FEQ-0T8_target.pdbqt | data/4F/4FEQ-0T8/4FEQ-0T8_decoys.pdbqt | data/4F/4FEQ-0T8/4FEQ-0T8_decoy_scores.csv |
4FLF-XXH | data/4F/4FLF-XXH/4FLF-XXH_ligand.pdbqt | data/4F/4FLF-XXH/4FLF-XXH_target.pdbqt | data/4F/4FLF-XXH/4FLF-XXH_decoys.pdbqt | data/4F/4FLF-XXH/4FLF-XXH_decoy_scores.csv |
4FOK-C2E | data/4F/4FOK-C2E/4FOK-C2E_ligand.pdbqt | data/4F/4FOK-C2E/4FOK-C2E_target.pdbqt | data/4F/4FOK-C2E/4FOK-C2E_decoys.pdbqt | data/4F/4FOK-C2E/4FOK-C2E_decoy_scores.csv |
4F1M-BTB | data/4F/4F1M-BTB/4F1M-BTB_ligand.pdbqt | data/4F/4F1M-BTB/4F1M-BTB_target.pdbqt | data/4F/4F1M-BTB/4F1M-BTB_decoys.pdbqt | data/4F/4F1M-BTB/4F1M-BTB_decoy_scores.csv |
4FI1-ATP | data/4F/4FI1-ATP/4FI1-ATP_ligand.pdbqt | data/4F/4FI1-ATP/4FI1-ATP_target.pdbqt | data/4F/4FI1-ATP/4FI1-ATP_decoys.pdbqt | data/4F/4FI1-ATP/4FI1-ATP_decoy_scores.csv |
4FQS-LYA | data/4F/4FQS-LYA/4FQS-LYA_ligand.pdbqt | data/4F/4FQS-LYA/4FQS-LYA_target.pdbqt | data/4F/4FQS-LYA/4FQS-LYA_decoys.pdbqt | data/4F/4FQS-LYA/4FQS-LYA_decoy_scores.csv |
4FRC-0VY | data/4F/4FRC-0VY/4FRC-0VY_ligand.pdbqt | data/4F/4FRC-0VY/4FRC-0VY_target.pdbqt | data/4F/4FRC-0VY/4FRC-0VY_decoys.pdbqt | data/4F/4FRC-0VY/4FRC-0VY_decoy_scores.csv |
4F8P-GAL | data/4F/4F8P-GAL/4F8P-GAL_ligand.pdbqt | data/4F/4F8P-GAL/4F8P-GAL_target.pdbqt | data/4F/4F8P-GAL/4F8P-GAL_decoys.pdbqt | data/4F/4F8P-GAL/4F8P-GAL_decoy_scores.csv |
4FRO-UDP | data/4F/4FRO-UDP/4FRO-UDP_ligand.pdbqt | data/4F/4FRO-UDP/4FRO-UDP_target.pdbqt | data/4F/4FRO-UDP/4FRO-UDP_decoys.pdbqt | data/4F/4FRO-UDP/4FRO-UDP_decoy_scores.csv |
4FRB-GAL | data/4F/4FRB-GAL/4FRB-GAL_ligand.pdbqt | data/4F/4FRB-GAL/4FRB-GAL_target.pdbqt | data/4F/4FRB-GAL/4FRB-GAL_decoys.pdbqt | data/4F/4FRB-GAL/4FRB-GAL_decoy_scores.csv |
4FR3-0V4 | data/4F/4FR3-0V4/4FR3-0V4_ligand.pdbqt | data/4F/4FR3-0V4/4FR3-0V4_target.pdbqt | data/4F/4FR3-0V4/4FR3-0V4_decoys.pdbqt | data/4F/4FR3-0V4/4FR3-0V4_decoy_scores.csv |
4FPA-BG6 | data/4F/4FPA-BG6/4FPA-BG6_ligand.pdbqt | data/4F/4FPA-BG6/4FPA-BG6_target.pdbqt | data/4F/4FPA-BG6/4FPA-BG6_decoys.pdbqt | data/4F/4FPA-BG6/4FPA-BG6_decoy_scores.csv |
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