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 ⌀ |
|---|---|---|---|---|
4Y12-AGS | data/4Y/4Y12-AGS/4Y12-AGS_ligand.pdbqt | data/4Y/4Y12-AGS/4Y12-AGS_target.pdbqt | data/4Y/4Y12-AGS/4Y12-AGS_decoys.pdbqt | data/4Y/4Y12-AGS/4Y12-AGS_decoy_scores.csv |
4YHA-MZM | data/4Y/4YHA-MZM/4YHA-MZM_ligand.pdbqt | data/4Y/4YHA-MZM/4YHA-MZM_target.pdbqt | data/4Y/4YHA-MZM/4YHA-MZM_decoys.pdbqt | data/4Y/4YHA-MZM/4YHA-MZM_decoy_scores.csv |
4Y9H-R16 | data/4Y/4Y9H-R16/4Y9H-R16_ligand.pdbqt | data/4Y/4Y9H-R16/4Y9H-R16_target.pdbqt | data/4Y/4Y9H-R16/4Y9H-R16_decoys.pdbqt | data/4Y/4Y9H-R16/4Y9H-R16_decoy_scores.csv |
4YL3-4U9 | data/4Y/4YL3-4U9/4YL3-4U9_ligand.pdbqt | data/4Y/4YL3-4U9/4YL3-4U9_target.pdbqt | data/4Y/4YL3-4U9/4YL3-4U9_decoys.pdbqt | data/4Y/4YL3-4U9/4YL3-4U9_decoy_scores.csv |
4YTY-URC | data/4Y/4YTY-URC/4YTY-URC_ligand.pdbqt | data/4Y/4YTY-URC/4YTY-URC_target.pdbqt | data/4Y/4YTY-URC/4YTY-URC_decoys.pdbqt | data/4Y/4YTY-URC/4YTY-URC_decoy_scores.csv |
4YRP-HIS | data/4Y/4YRP-HIS/4YRP-HIS_ligand.pdbqt | data/4Y/4YRP-HIS/4YRP-HIS_target.pdbqt | data/4Y/4YRP-HIS/4YRP-HIS_decoys.pdbqt | data/4Y/4YRP-HIS/4YRP-HIS_decoy_scores.csv |
4YUW-S4M | data/4Y/4YUW-S4M/4YUW-S4M_ligand.pdbqt | data/4Y/4YUW-S4M/4YUW-S4M_target.pdbqt | data/4Y/4YUW-S4M/4YUW-S4M_decoys.pdbqt | data/4Y/4YUW-S4M/4YUW-S4M_decoy_scores.csv |
4Y3Z-F41 | data/4Y/4Y3Z-F41/4Y3Z-F41_ligand.pdbqt | data/4Y/4Y3Z-F41/4Y3Z-F41_target.pdbqt | data/4Y/4Y3Z-F41/4Y3Z-F41_decoys.pdbqt | data/4Y/4Y3Z-F41/4Y3Z-F41_decoy_scores.csv |
4YXM-2BA | data/4Y/4YXM-2BA/4YXM-2BA_ligand.pdbqt | data/4Y/4YXM-2BA/4YXM-2BA_target.pdbqt | data/4Y/4YXM-2BA/4YXM-2BA_decoys.pdbqt | data/4Y/4YXM-2BA/4YXM-2BA_decoy_scores.csv |
4YW3-DAN | data/4Y/4YW3-DAN/4YW3-DAN_ligand.pdbqt | data/4Y/4YW3-DAN/4YW3-DAN_target.pdbqt | data/4Y/4YW3-DAN/4YW3-DAN_decoys.pdbqt | data/4Y/4YW3-DAN/4YW3-DAN_decoy_scores.csv |
4YQU-4GB | data/4Y/4YQU-4GB/4YQU-4GB_ligand.pdbqt | data/4Y/4YQU-4GB/4YQU-4GB_target.pdbqt | data/4Y/4YQU-4GB/4YQU-4GB_decoys.pdbqt | data/4Y/4YQU-4GB/4YQU-4GB_decoy_scores.csv |
4YD4-4AY | data/4Y/4YD4-4AY/4YD4-4AY_ligand.pdbqt | data/4Y/4YD4-4AY/4YD4-4AY_target.pdbqt | data/4Y/4YD4-4AY/4YD4-4AY_decoys.pdbqt | data/4Y/4YD4-4AY/4YD4-4AY_decoy_scores.csv |
4YPF-HIS | data/4Y/4YPF-HIS/4YPF-HIS_ligand.pdbqt | data/4Y/4YPF-HIS/4YPF-HIS_target.pdbqt | data/4Y/4YPF-HIS/4YPF-HIS_decoys.pdbqt | data/4Y/4YPF-HIS/4YPF-HIS_decoy_scores.csv |
4YQE-FMN | data/4Y/4YQE-FMN/4YQE-FMN_ligand.pdbqt | data/4Y/4YQE-FMN/4YQE-FMN_target.pdbqt | data/4Y/4YQE-FMN/4YQE-FMN_decoys.pdbqt | data/4Y/4YQE-FMN/4YQE-FMN_decoy_scores.csv |
4YTS-TGS | data/4Y/4YTS-TGS/4YTS-TGS_ligand.pdbqt | data/4Y/4YTS-TGS/4YTS-TGS_target.pdbqt | data/4Y/4YTS-TGS/4YTS-TGS_decoys.pdbqt | data/4Y/4YTS-TGS/4YTS-TGS_decoy_scores.csv |
4YMJ-4EJ | data/4Y/4YMJ-4EJ/4YMJ-4EJ_ligand.pdbqt | data/4Y/4YMJ-4EJ/4YMJ-4EJ_target.pdbqt | data/4Y/4YMJ-4EJ/4YMJ-4EJ_decoys.pdbqt | data/4Y/4YMJ-4EJ/4YMJ-4EJ_decoy_scores.csv |
4YXS-EMU | data/4Y/4YXS-EMU/4YXS-EMU_ligand.pdbqt | data/4Y/4YXS-EMU/4YXS-EMU_target.pdbqt | data/4Y/4YXS-EMU/4YXS-EMU_decoys.pdbqt | data/4Y/4YXS-EMU/4YXS-EMU_decoy_scores.csv |
4YCT-FBF | data/4Y/4YCT-FBF/4YCT-FBF_ligand.pdbqt | data/4Y/4YCT-FBF/4YCT-FBF_target.pdbqt | data/4Y/4YCT-FBF/4YCT-FBF_decoys.pdbqt | data/4Y/4YCT-FBF/4YCT-FBF_decoy_scores.csv |
4YO4-4FT | data/4Y/4YO4-4FT/4YO4-4FT_ligand.pdbqt | data/4Y/4YO4-4FT/4YO4-4FT_target.pdbqt | data/4Y/4YO4-4FT/4YO4-4FT_decoys.pdbqt | data/4Y/4YO4-4FT/4YO4-4FT_decoy_scores.csv |
8I18-8DG | data/8I/8I18-8DG/8I18-8DG_ligand.pdbqt | data/8I/8I18-8DG/8I18-8DG_target.pdbqt | data/8I/8I18-8DG/8I18-8DG_decoys.pdbqt | data/8I/8I18-8DG/8I18-8DG_decoy_scores.csv |
8IA5-NUT | data/8I/8IA5-NUT/8IA5-NUT_ligand.pdbqt | data/8I/8IA5-NUT/8IA5-NUT_target.pdbqt | data/8I/8IA5-NUT/8IA5-NUT_decoys.pdbqt | data/8I/8IA5-NUT/8IA5-NUT_decoy_scores.csv |
8ICD-ICT | data/8I/8ICD-ICT/8ICD-ICT_ligand.pdbqt | data/8I/8ICD-ICT/8ICD-ICT_target.pdbqt | data/8I/8ICD-ICT/8ICD-ICT_decoys.pdbqt | data/8I/8ICD-ICT/8ICD-ICT_decoy_scores.csv |
8IA5-O4B | data/8I/8IA5-O4B/8IA5-O4B_ligand.pdbqt | data/8I/8IA5-O4B/8IA5-O4B_target.pdbqt | data/8I/8IA5-O4B/8IA5-O4B_decoys.pdbqt | data/8I/8IA5-O4B/8IA5-O4B_decoy_scores.csv |
8I1J-6U4 | data/8I/8I1J-6U4/8I1J-6U4_ligand.pdbqt | data/8I/8I1J-6U4/8I1J-6U4_target.pdbqt | data/8I/8I1J-6U4/8I1J-6U4_decoys.pdbqt | data/8I/8I1J-6U4/8I1J-6U4_decoy_scores.csv |
8I1G-6U4 | data/8I/8I1G-6U4/8I1G-6U4_ligand.pdbqt | data/8I/8I1G-6U4/8I1G-6U4_target.pdbqt | data/8I/8I1G-6U4/8I1G-6U4_decoys.pdbqt | data/8I/8I1G-6U4/8I1G-6U4_decoy_scores.csv |
8I1E-6U4 | data/8I/8I1E-6U4/8I1E-6U4_ligand.pdbqt | data/8I/8I1E-6U4/8I1E-6U4_target.pdbqt | data/8I/8I1E-6U4/8I1E-6U4_decoys.pdbqt | data/8I/8I1E-6U4/8I1E-6U4_decoy_scores.csv |
8I19-8DG | data/8I/8I19-8DG/8I19-8DG_ligand.pdbqt | data/8I/8I19-8DG/8I19-8DG_target.pdbqt | data/8I/8I19-8DG/8I19-8DG_decoys.pdbqt | data/8I/8I19-8DG/8I19-8DG_decoy_scores.csv |
8I71-OTI | data/8I/8I71-OTI/8I71-OTI_ligand.pdbqt | data/8I/8I71-OTI/8I71-OTI_target.pdbqt | data/8I/8I71-OTI/8I71-OTI_decoys.pdbqt | data/8I/8I71-OTI/8I71-OTI_decoy_scores.csv |
8I1A-8DG | data/8I/8I1A-8DG/8I1A-8DG_ligand.pdbqt | data/8I/8I1A-8DG/8I1A-8DG_target.pdbqt | data/8I/8I1A-8DG/8I1A-8DG_decoys.pdbqt | data/8I/8I1A-8DG/8I1A-8DG_decoy_scores.csv |
8I1F-6U4 | data/8I/8I1F-6U4/8I1F-6U4_ligand.pdbqt | data/8I/8I1F-6U4/8I1F-6U4_target.pdbqt | data/8I/8I1F-6U4/8I1F-6U4_decoys.pdbqt | data/8I/8I1F-6U4/8I1F-6U4_decoy_scores.csv |
8I8S-8OG | data/8I/8I8S-8OG/8I8S-8OG_ligand.pdbqt | data/8I/8I8S-8OG/8I8S-8OG_target.pdbqt | data/8I/8I8S-8OG/8I8S-8OG_decoys.pdbqt | data/8I/8I8S-8OG/8I8S-8OG_decoy_scores.csv |
8I1D-6U4 | data/8I/8I1D-6U4/8I1D-6U4_ligand.pdbqt | data/8I/8I1D-6U4/8I1D-6U4_target.pdbqt | data/8I/8I1D-6U4/8I1D-6U4_decoys.pdbqt | data/8I/8I1D-6U4/8I1D-6U4_decoy_scores.csv |
8I1I-6U4 | data/8I/8I1I-6U4/8I1I-6U4_ligand.pdbqt | data/8I/8I1I-6U4/8I1I-6U4_target.pdbqt | data/8I/8I1I-6U4/8I1I-6U4_decoys.pdbqt | data/8I/8I1I-6U4/8I1I-6U4_decoy_scores.csv |
8I8T-IGU | data/8I/8I8T-IGU/8I8T-IGU_ligand.pdbqt | data/8I/8I8T-IGU/8I8T-IGU_target.pdbqt | data/8I/8I8T-IGU/8I8T-IGU_decoys.pdbqt | data/8I/8I8T-IGU/8I8T-IGU_decoy_scores.csv |
1VSV-NAD | data/1V/1VSV-NAD/1VSV-NAD_ligand.pdbqt | data/1V/1VSV-NAD/1VSV-NAD_target.pdbqt | data/1V/1VSV-NAD/1VSV-NAD_decoys.pdbqt | data/1V/1VSV-NAD/1VSV-NAD_decoy_scores.csv |
1VYW-292 | data/1V/1VYW-292/1VYW-292_ligand.pdbqt | data/1V/1VYW-292/1VYW-292_target.pdbqt | data/1V/1VYW-292/1VYW-292_decoys.pdbqt | data/1V/1VYW-292/1VYW-292_decoy_scores.csv |
1VFW-ANP | data/1V/1VFW-ANP/1VFW-ANP_ligand.pdbqt | data/1V/1VFW-ANP/1VFW-ANP_target.pdbqt | data/1V/1VFW-ANP/1VFW-ANP_decoys.pdbqt | data/1V/1VFW-ANP/1VFW-ANP_decoy_scores.csv |
1VM6-NAD | data/1V/1VM6-NAD/1VM6-NAD_ligand.pdbqt | data/1V/1VM6-NAD/1VM6-NAD_target.pdbqt | data/1V/1VM6-NAD/1VM6-NAD_decoys.pdbqt | data/1V/1VM6-NAD/1VM6-NAD_decoy_scores.csv |
1V0P-PVB | data/1V/1V0P-PVB/1V0P-PVB_ligand.pdbqt | data/1V/1V0P-PVB/1V0P-PVB_target.pdbqt | data/1V/1V0P-PVB/1V0P-PVB_decoys.pdbqt | data/1V/1V0P-PVB/1V0P-PVB_decoy_scores.csv |
1VZD-CB3 | data/1V/1VZD-CB3/1VZD-CB3_ligand.pdbqt | data/1V/1VZD-CB3/1VZD-CB3_target.pdbqt | data/1V/1VZD-CB3/1VZD-CB3_decoys.pdbqt | data/1V/1VZD-CB3/1VZD-CB3_decoy_scores.csv |
1VJA-7IN | data/1V/1VJA-7IN/1VJA-7IN_ligand.pdbqt | data/1V/1VJA-7IN/1VJA-7IN_target.pdbqt | data/1V/1VJA-7IN/1VJA-7IN_decoys.pdbqt | data/1V/1VJA-7IN/1VJA-7IN_decoy_scores.csv |
1V5Z-2HC | data/1V/1V5Z-2HC/1V5Z-2HC_ligand.pdbqt | data/1V/1V5Z-2HC/1V5Z-2HC_target.pdbqt | data/1V/1V5Z-2HC/1V5Z-2HC_decoys.pdbqt | data/1V/1V5Z-2HC/1V5Z-2HC_decoy_scores.csv |
1V25-ANP | data/1V/1V25-ANP/1V25-ANP_ligand.pdbqt | data/1V/1V25-ANP/1V25-ANP_target.pdbqt | data/1V/1V25-ANP/1V25-ANP_decoys.pdbqt | data/1V/1V25-ANP/1V25-ANP_decoy_scores.csv |
1VLH-PNS | data/1V/1VLH-PNS/1VLH-PNS_ligand.pdbqt | data/1V/1VLH-PNS/1VLH-PNS_target.pdbqt | data/1V/1VLH-PNS/1VLH-PNS_decoys.pdbqt | data/1V/1VLH-PNS/1VLH-PNS_decoy_scores.csv |
1V9H-U5P | data/1V/1V9H-U5P/1V9H-U5P_ligand.pdbqt | data/1V/1V9H-U5P/1V9H-U5P_target.pdbqt | data/1V/1V9H-U5P/1V9H-U5P_decoys.pdbqt | data/1V/1V9H-U5P/1V9H-U5P_decoy_scores.csv |
1VJ5-CIU | data/1V/1VJ5-CIU/1VJ5-CIU_ligand.pdbqt | data/1V/1VJ5-CIU/1VJ5-CIU_target.pdbqt | data/1V/1VJ5-CIU/1VJ5-CIU_decoys.pdbqt | data/1V/1VJ5-CIU/1VJ5-CIU_decoy_scores.csv |
1VBH-PEP | data/1V/1VBH-PEP/1VBH-PEP_ligand.pdbqt | data/1V/1VBH-PEP/1VBH-PEP_target.pdbqt | data/1V/1VBH-PEP/1VBH-PEP_decoys.pdbqt | data/1V/1VBH-PEP/1VBH-PEP_decoy_scores.csv |
1VZE-UMP | data/1V/1VZE-UMP/1VZE-UMP_ligand.pdbqt | data/1V/1VZE-UMP/1VZE-UMP_target.pdbqt | data/1V/1VZE-UMP/1VZE-UMP_decoys.pdbqt | data/1V/1VZE-UMP/1VZE-UMP_decoy_scores.csv |
1V5Z-FMN | data/1V/1V5Z-FMN/1V5Z-FMN_ligand.pdbqt | data/1V/1V5Z-FMN/1V5Z-FMN_target.pdbqt | data/1V/1V5Z-FMN/1V5Z-FMN_decoys.pdbqt | data/1V/1V5Z-FMN/1V5Z-FMN_decoy_scores.csv |
1V2L-BEN | data/1V/1V2L-BEN/1V2L-BEN_ligand.pdbqt | data/1V/1V2L-BEN/1V2L-BEN_target.pdbqt | data/1V/1V2L-BEN/1V2L-BEN_decoys.pdbqt | data/1V/1V2L-BEN/1V2L-BEN_decoy_scores.csv |
1VYR-FMN | data/1V/1VYR-FMN/1VYR-FMN_ligand.pdbqt | data/1V/1VYR-FMN/1VYR-FMN_target.pdbqt | data/1V/1VYR-FMN/1VYR-FMN_decoys.pdbqt | data/1V/1VYR-FMN/1VYR-FMN_decoy_scores.csv |
1V2V-BEN | data/1V/1V2V-BEN/1V2V-BEN_ligand.pdbqt | data/1V/1V2V-BEN/1V2V-BEN_target.pdbqt | data/1V/1V2V-BEN/1V2V-BEN_decoys.pdbqt | data/1V/1V2V-BEN/1V2V-BEN_decoy_scores.csv |
1VZT-UDP | data/1V/1VZT-UDP/1VZT-UDP_ligand.pdbqt | data/1V/1VZT-UDP/1VZT-UDP_target.pdbqt | data/1V/1VZT-UDP/1VZT-UDP_decoys.pdbqt | data/1V/1VZT-UDP/1VZT-UDP_decoy_scores.csv |
1VM1-MA4 | data/1V/1VM1-MA4/1VM1-MA4_ligand.pdbqt | data/1V/1VM1-MA4/1VM1-MA4_target.pdbqt | data/1V/1VM1-MA4/1VM1-MA4_decoys.pdbqt | data/1V/1VM1-MA4/1VM1-MA4_decoy_scores.csv |
1V1A-KDG | data/1V/1V1A-KDG/1V1A-KDG_ligand.pdbqt | data/1V/1V1A-KDG/1V1A-KDG_target.pdbqt | data/1V/1V1A-KDG/1V1A-KDG_decoys.pdbqt | data/1V/1V1A-KDG/1V1A-KDG_decoy_scores.csv |
1V8B-ADN | data/1V/1V8B-ADN/1V8B-ADN_ligand.pdbqt | data/1V/1V8B-ADN/1V8B-ADN_target.pdbqt | data/1V/1V8B-ADN/1V8B-ADN_decoys.pdbqt | data/1V/1V8B-ADN/1V8B-ADN_decoy_scores.csv |
1V2Q-ANH | data/1V/1V2Q-ANH/1V2Q-ANH_ligand.pdbqt | data/1V/1V2Q-ANH/1V2Q-ANH_target.pdbqt | data/1V/1V2Q-ANH/1V2Q-ANH_decoys.pdbqt | data/1V/1V2Q-ANH/1V2Q-ANH_decoy_scores.csv |
1V0O-INR | data/1V/1V0O-INR/1V0O-INR_ligand.pdbqt | data/1V/1V0O-INR/1V0O-INR_target.pdbqt | data/1V/1V0O-INR/1V0O-INR_decoys.pdbqt | data/1V/1V0O-INR/1V0O-INR_decoy_scores.csv |
1V2M-BEN | data/1V/1V2M-BEN/1V2M-BEN_ligand.pdbqt | data/1V/1V2M-BEN/1V2M-BEN_target.pdbqt | data/1V/1V2M-BEN/1V2M-BEN_decoys.pdbqt | data/1V/1V2M-BEN/1V2M-BEN_decoy_scores.csv |
1VJD-ATP | data/1V/1VJD-ATP/1VJD-ATP_ligand.pdbqt | data/1V/1VJD-ATP/1VJD-ATP_target.pdbqt | data/1V/1VJD-ATP/1VJD-ATP_decoys.pdbqt | data/1V/1VJD-ATP/1VJD-ATP_decoy_scores.csv |
1VPT-SAM | data/1V/1VPT-SAM/1VPT-SAM_ligand.pdbqt | data/1V/1VPT-SAM/1VPT-SAM_target.pdbqt | data/1V/1VPT-SAM/1VPT-SAM_decoys.pdbqt | data/1V/1VPT-SAM/1VPT-SAM_decoy_scores.csv |
1VG9-P33 | data/1V/1VG9-P33/1VG9-P33_ligand.pdbqt | data/1V/1VG9-P33/1VG9-P33_target.pdbqt | data/1V/1VG9-P33/1VG9-P33_decoys.pdbqt | data/1V/1VG9-P33/1VG9-P33_decoy_scores.csv |
1VHZ-APR | data/1V/1VHZ-APR/1VHZ-APR_ligand.pdbqt | data/1V/1VHZ-APR/1VHZ-APR_target.pdbqt | data/1V/1VHZ-APR/1VHZ-APR_decoys.pdbqt | data/1V/1VHZ-APR/1VHZ-APR_decoy_scores.csv |
1VMK-GUN | data/1V/1VMK-GUN/1VMK-GUN_ligand.pdbqt | data/1V/1VMK-GUN/1VMK-GUN_target.pdbqt | data/1V/1VMK-GUN/1VMK-GUN_decoys.pdbqt | data/1V/1VMK-GUN/1VMK-GUN_decoy_scores.csv |
1VOT-HUP | data/1V/1VOT-HUP/1VOT-HUP_ligand.pdbqt | data/1V/1VOT-HUP/1VOT-HUP_target.pdbqt | data/1V/1VOT-HUP/1VOT-HUP_decoys.pdbqt | data/1V/1VOT-HUP/1VOT-HUP_decoy_scores.csv |
1VYS-TNF | data/1V/1VYS-TNF/1VYS-TNF_ligand.pdbqt | data/1V/1VYS-TNF/1VYS-TNF_target.pdbqt | data/1V/1VYS-TNF/1VYS-TNF_decoys.pdbqt | data/1V/1VYS-TNF/1VYS-TNF_decoy_scores.csv |
1VAG-ARR | data/1V/1VAG-ARR/1VAG-ARR_ligand.pdbqt | data/1V/1VAG-ARR/1VAG-ARR_target.pdbqt | data/1V/1VAG-ARR/1VAG-ARR_decoys.pdbqt | data/1V/1VAG-ARR/1VAG-ARR_decoy_scores.csv |
1V35-NAI | data/1V/1V35-NAI/1V35-NAI_ligand.pdbqt | data/1V/1V35-NAI/1V35-NAI_target.pdbqt | data/1V/1V35-NAI/1V35-NAI_decoys.pdbqt | data/1V/1V35-NAI/1V35-NAI_decoy_scores.csv |
1V0N-XYP | data/1V/1V0N-XYP/1V0N-XYP_ligand.pdbqt | data/1V/1V0N-XYP/1V0N-XYP_target.pdbqt | data/1V/1V0N-XYP/1V0N-XYP_decoys.pdbqt | data/1V/1V0N-XYP/1V0N-XYP_decoy_scores.csv |
1VZA-UMP | data/1V/1VZA-UMP/1VZA-UMP_ligand.pdbqt | data/1V/1VZA-UMP/1VZA-UMP_target.pdbqt | data/1V/1VZA-UMP/1VZA-UMP_decoys.pdbqt | data/1V/1VZA-UMP/1VZA-UMP_decoy_scores.csv |
1V1J-FA3 | data/1V/1V1J-FA3/1V1J-FA3_ligand.pdbqt | data/1V/1V1J-FA3/1V1J-FA3_target.pdbqt | data/1V/1V1J-FA3/1V1J-FA3_decoys.pdbqt | data/1V/1V1J-FA3/1V1J-FA3_decoy_scores.csv |
1VZQ-SHY | data/1V/1VZQ-SHY/1VZQ-SHY_ligand.pdbqt | data/1V/1VZQ-SHY/1VZQ-SHY_target.pdbqt | data/1V/1VZQ-SHY/1VZQ-SHY_decoys.pdbqt | data/1V/1VZQ-SHY/1VZQ-SHY_decoy_scores.csv |
1VYP-TNF | data/1V/1VYP-TNF/1VYP-TNF_ligand.pdbqt | data/1V/1VYP-TNF/1VYP-TNF_target.pdbqt | data/1V/1VYP-TNF/1VYP-TNF_decoys.pdbqt | data/1V/1VYP-TNF/1VYP-TNF_decoy_scores.csv |
1VCO-GLN | data/1V/1VCO-GLN/1VCO-GLN_ligand.pdbqt | data/1V/1VCO-GLN/1VCO-GLN_target.pdbqt | data/1V/1VCO-GLN/1VCO-GLN_decoys.pdbqt | data/1V/1VCO-GLN/1VCO-GLN_decoy_scores.csv |
1V8K-ANP | data/1V/1V8K-ANP/1V8K-ANP_ligand.pdbqt | data/1V/1V8K-ANP/1V8K-ANP_target.pdbqt | data/1V/1V8K-ANP/1V8K-ANP_decoys.pdbqt | data/1V/1V8K-ANP/1V8K-ANP_decoy_scores.csv |
1V30-NHE | data/1V/1V30-NHE/1V30-NHE_ligand.pdbqt | data/1V/1V30-NHE/1V30-NHE_target.pdbqt | data/1V/1V30-NHE/1V30-NHE_decoys.pdbqt | data/1V/1V30-NHE/1V30-NHE_decoy_scores.csv |
1V48-HA1 | data/1V/1V48-HA1/1V48-HA1_ligand.pdbqt | data/1V/1V48-HA1/1V48-HA1_target.pdbqt | data/1V/1V48-HA1/1V48-HA1_decoys.pdbqt | data/1V/1V48-HA1/1V48-HA1_decoy_scores.csv |
1VKJ-A3P | data/1V/1VKJ-A3P/1VKJ-A3P_ligand.pdbqt | data/1V/1VKJ-A3P/1VKJ-A3P_target.pdbqt | data/1V/1VKJ-A3P/1VKJ-A3P_decoys.pdbqt | data/1V/1VKJ-A3P/1VKJ-A3P_decoy_scores.csv |
1VYP-FMN | data/1V/1VYP-FMN/1VYP-FMN_ligand.pdbqt | data/1V/1VYP-FMN/1VYP-FMN_target.pdbqt | data/1V/1VYP-FMN/1VYP-FMN_decoys.pdbqt | data/1V/1VYP-FMN/1VYP-FMN_decoy_scores.csv |
1VJ9-5IN | data/1V/1VJ9-5IN/1VJ9-5IN_ligand.pdbqt | data/1V/1VJ9-5IN/1VJ9-5IN_target.pdbqt | data/1V/1VJ9-5IN/1VJ9-5IN_decoys.pdbqt | data/1V/1VJ9-5IN/1VJ9-5IN_decoy_scores.csv |
1VP3-SAH | data/1V/1VP3-SAH/1VP3-SAH_ligand.pdbqt | data/1V/1VP3-SAH/1VP3-SAH_target.pdbqt | data/1V/1VP3-SAH/1VP3-SAH_decoys.pdbqt | data/1V/1VP3-SAH/1VP3-SAH_decoy_scores.csv |
1V2O-ANH | data/1V/1V2O-ANH/1V2O-ANH_ligand.pdbqt | data/1V/1V2O-ANH/1V2O-ANH_target.pdbqt | data/1V/1V2O-ANH/1V2O-ANH_decoys.pdbqt | data/1V/1V2O-ANH/1V2O-ANH_decoy_scores.csv |
1V0J-BCN | data/1V/1V0J-BCN/1V0J-BCN_ligand.pdbqt | data/1V/1V0J-BCN/1V0J-BCN_target.pdbqt | data/1V/1V0J-BCN/1V0J-BCN_decoys.pdbqt | data/1V/1V0J-BCN/1V0J-BCN_decoy_scores.csv |
1VG8-GNP | data/1V/1VG8-GNP/1VG8-GNP_ligand.pdbqt | data/1V/1VG8-GNP/1VG8-GNP_target.pdbqt | data/1V/1VG8-GNP/1VG8-GNP_decoys.pdbqt | data/1V/1VG8-GNP/1VG8-GNP_decoy_scores.csv |
1VG9-GDP | data/1V/1VG9-GDP/1VG9-GDP_ligand.pdbqt | data/1V/1VG9-GDP/1VG9-GDP_target.pdbqt | data/1V/1VG9-GDP/1VG9-GDP_decoys.pdbqt | data/1V/1VG9-GDP/1VG9-GDP_decoy_scores.csv |
1V8Y-APR | data/1V/1V8Y-APR/1V8Y-APR_ligand.pdbqt | data/1V/1V8Y-APR/1V8Y-APR_target.pdbqt | data/1V/1V8Y-APR/1V8Y-APR_decoys.pdbqt | data/1V/1V8Y-APR/1V8Y-APR_decoy_scores.csv |
1VPV-PLM | data/1V/1VPV-PLM/1VPV-PLM_ligand.pdbqt | data/1V/1VPV-PLM/1VPV-PLM_target.pdbqt | data/1V/1VPV-PLM/1VPV-PLM_decoys.pdbqt | data/1V/1VPV-PLM/1VPV-PLM_decoy_scores.csv |
1V2G-OCA | data/1V/1V2G-OCA/1V2G-OCA_ligand.pdbqt | data/1V/1V2G-OCA/1V2G-OCA_target.pdbqt | data/1V/1V2G-OCA/1V2G-OCA_decoys.pdbqt | data/1V/1V2G-OCA/1V2G-OCA_decoy_scores.csv |
1V83-UDP | data/1V/1V83-UDP/1V83-UDP_ligand.pdbqt | data/1V/1V83-UDP/1V83-UDP_target.pdbqt | data/1V/1V83-UDP/1V83-UDP_decoys.pdbqt | data/1V/1V83-UDP/1V83-UDP_decoy_scores.csv |
1V79-FR7 | data/1V/1V79-FR7/1V79-FR7_ligand.pdbqt | data/1V/1V79-FR7/1V79-FR7_target.pdbqt | data/1V/1V79-FR7/1V79-FR7_decoys.pdbqt | data/1V/1V79-FR7/1V79-FR7_decoy_scores.csv |
1V97-FYX | data/1V/1V97-FYX/1V97-FYX_ligand.pdbqt | data/1V/1V97-FYX/1V97-FYX_target.pdbqt | null | null |
1V2B-GLC | data/1V/1V2B-GLC/1V2B-GLC_ligand.pdbqt | data/1V/1V2B-GLC/1V2B-GLC_target.pdbqt | data/1V/1V2B-GLC/1V2B-GLC_decoys.pdbqt | data/1V/1V2B-GLC/1V2B-GLC_decoy_scores.csv |
1V2A-GTS | data/1V/1V2A-GTS/1V2A-GTS_ligand.pdbqt | data/1V/1V2A-GTS/1V2A-GTS_target.pdbqt | data/1V/1V2A-GTS/1V2A-GTS_decoys.pdbqt | data/1V/1V2A-GTS/1V2A-GTS_decoy_scores.csv |
1VA6-P6G | data/1V/1VA6-P6G/1VA6-P6G_ligand.pdbqt | data/1V/1VA6-P6G/1VA6-P6G_target.pdbqt | data/1V/1VA6-P6G/1VA6-P6G_decoys.pdbqt | data/1V/1VA6-P6G/1VA6-P6G_decoy_scores.csv |
1VCJ-IBA | data/1V/1VCJ-IBA/1VCJ-IBA_ligand.pdbqt | data/1V/1VCJ-IBA/1VCJ-IBA_target.pdbqt | data/1V/1VCJ-IBA/1VCJ-IBA_decoys.pdbqt | data/1V/1VCJ-IBA/1VCJ-IBA_decoy_scores.csv |
1VC9-ATP | data/1V/1VC9-ATP/1VC9-ATP_ligand.pdbqt | data/1V/1VC9-ATP/1VC9-ATP_target.pdbqt | data/1V/1VC9-ATP/1VC9-ATP_decoys.pdbqt | data/1V/1VC9-ATP/1VC9-ATP_decoy_scores.csv |
1V7W-NDG | data/1V/1V7W-NDG/1V7W-NDG_ligand.pdbqt | data/1V/1V7W-NDG/1V7W-NDG_target.pdbqt | data/1V/1V7W-NDG/1V7W-NDG_decoys.pdbqt | data/1V/1V7W-NDG/1V7W-NDG_decoy_scores.csv |
1VGO-RET | data/1V/1VGO-RET/1VGO-RET_ligand.pdbqt | data/1V/1VGO-RET/1VGO-RET_target.pdbqt | data/1V/1VGO-RET/1VGO-RET_decoys.pdbqt | data/1V/1VGO-RET/1VGO-RET_decoy_scores.csv |
1VG1-GDP | data/1V/1VG1-GDP/1VG1-GDP_ligand.pdbqt | data/1V/1VG1-GDP/1VG1-GDP_target.pdbqt | data/1V/1VG1-GDP/1VG1-GDP_decoys.pdbqt | data/1V/1VG1-GDP/1VG1-GDP_decoy_scores.csv |
1V47-ADX | data/1V/1V47-ADX/1V47-ADX_ligand.pdbqt | data/1V/1V47-ADX/1V47-ADX_target.pdbqt | data/1V/1V47-ADX/1V47-ADX_decoys.pdbqt | data/1V/1V47-ADX/1V47-ADX_decoy_scores.csv |
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