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 ⌀ |
|---|---|---|---|---|
4YRR-691 | data/4Y/4YRR-691/4YRR-691_ligand.pdbqt | data/4Y/4YRR-691/4YRR-691_target.pdbqt | data/4Y/4YRR-691/4YRR-691_decoys.pdbqt | data/4Y/4YRR-691/4YRR-691_decoy_scores.csv |
4YTQ-TGD | data/4Y/4YTQ-TGD/4YTQ-TGD_ligand.pdbqt | data/4Y/4YTQ-TGD/4YTQ-TGD_target.pdbqt | data/4Y/4YTQ-TGD/4YTQ-TGD_decoys.pdbqt | data/4Y/4YTQ-TGD/4YTQ-TGD_decoy_scores.csv |
4Y3A-45O | data/4Y/4Y3A-45O/4Y3A-45O_ligand.pdbqt | data/4Y/4Y3A-45O/4Y3A-45O_target.pdbqt | data/4Y/4Y3A-45O/4Y3A-45O_decoys.pdbqt | data/4Y/4Y3A-45O/4Y3A-45O_decoy_scores.csv |
4YZZ-NHE | data/4Y/4YZZ-NHE/4YZZ-NHE_ligand.pdbqt | data/4Y/4YZZ-NHE/4YZZ-NHE_target.pdbqt | data/4Y/4YZZ-NHE/4YZZ-NHE_decoys.pdbqt | data/4Y/4YZZ-NHE/4YZZ-NHE_decoy_scores.csv |
4YI3-IMP | data/4Y/4YI3-IMP/4YI3-IMP_ligand.pdbqt | data/4Y/4YI3-IMP/4YI3-IMP_target.pdbqt | data/4Y/4YI3-IMP/4YI3-IMP_decoys.pdbqt | data/4Y/4YI3-IMP/4YI3-IMP_decoy_scores.csv |
4Y4G-GGB | data/4Y/4Y4G-GGB/4Y4G-GGB_ligand.pdbqt | data/4Y/4Y4G-GGB/4Y4G-GGB_target.pdbqt | data/4Y/4Y4G-GGB/4Y4G-GGB_decoys.pdbqt | data/4Y/4Y4G-GGB/4Y4G-GGB_decoy_scores.csv |
4YXO-4JC | data/4Y/4YXO-4JC/4YXO-4JC_ligand.pdbqt | data/4Y/4YXO-4JC/4YXO-4JC_target.pdbqt | data/4Y/4YXO-4JC/4YXO-4JC_decoys.pdbqt | data/4Y/4YXO-4JC/4YXO-4JC_decoy_scores.csv |
4Y5F-LBV | data/4Y/4Y5F-LBV/4Y5F-LBV_ligand.pdbqt | data/4Y/4Y5F-LBV/4Y5F-LBV_target.pdbqt | data/4Y/4Y5F-LBV/4Y5F-LBV_decoys.pdbqt | data/4Y/4Y5F-LBV/4Y5F-LBV_decoy_scores.csv |
4YRT-HIS | data/4Y/4YRT-HIS/4YRT-HIS_ligand.pdbqt | data/4Y/4YRT-HIS/4YRT-HIS_target.pdbqt | data/4Y/4YRT-HIS/4YRT-HIS_decoys.pdbqt | data/4Y/4YRT-HIS/4YRT-HIS_decoy_scores.csv |
4YKT-4EQ | data/4Y/4YKT-4EQ/4YKT-4EQ_ligand.pdbqt | data/4Y/4YKT-4EQ/4YKT-4EQ_target.pdbqt | data/4Y/4YKT-4EQ/4YKT-4EQ_decoys.pdbqt | data/4Y/4YKT-4EQ/4YKT-4EQ_decoy_scores.csv |
4YFY-1YJ | data/4Y/4YFY-1YJ/4YFY-1YJ_ligand.pdbqt | data/4Y/4YFY-1YJ/4YFY-1YJ_target.pdbqt | data/4Y/4YFY-1YJ/4YFY-1YJ_decoys.pdbqt | data/4Y/4YFY-1YJ/4YFY-1YJ_decoy_scores.csv |
4YP0-5IQ | data/4Y/4YP0-5IQ/4YP0-5IQ_ligand.pdbqt | data/4Y/4YP0-5IQ/4YP0-5IQ_target.pdbqt | data/4Y/4YP0-5IQ/4YP0-5IQ_decoys.pdbqt | data/4Y/4YP0-5IQ/4YP0-5IQ_decoy_scores.csv |
4YKW-4ES | data/4Y/4YKW-4ES/4YKW-4ES_ligand.pdbqt | data/4Y/4YKW-4ES/4YKW-4ES_target.pdbqt | data/4Y/4YKW-4ES/4YKW-4ES_decoys.pdbqt | data/4Y/4YKW-4ES/4YKW-4ES_decoy_scores.csv |
4Y50-47S | data/4Y/4Y50-47S/4Y50-47S_ligand.pdbqt | data/4Y/4Y50-47S/4Y50-47S_target.pdbqt | data/4Y/4Y50-47S/4Y50-47S_decoys.pdbqt | data/4Y/4Y50-47S/4Y50-47S_decoy_scores.csv |
4YED-AMP | data/4Y/4YED-AMP/4YED-AMP_ligand.pdbqt | data/4Y/4YED-AMP/4YED-AMP_target.pdbqt | data/4Y/4YED-AMP/4YED-AMP_decoys.pdbqt | data/4Y/4YED-AMP/4YED-AMP_decoy_scores.csv |
4YAO-2AM | data/4Y/4YAO-2AM/4YAO-2AM_ligand.pdbqt | data/4Y/4YAO-2AM/4YAO-2AM_target.pdbqt | data/4Y/4YAO-2AM/4YAO-2AM_decoys.pdbqt | data/4Y/4YAO-2AM/4YAO-2AM_decoy_scores.csv |
4YDK-NHE | data/4Y/4YDK-NHE/4YDK-NHE_ligand.pdbqt | data/4Y/4YDK-NHE/4YDK-NHE_target.pdbqt | data/4Y/4YDK-NHE/4YDK-NHE_decoys.pdbqt | data/4Y/4YDK-NHE/4YDK-NHE_decoy_scores.csv |
4YS1-4G7 | data/4Y/4YS1-4G7/4YS1-4G7_ligand.pdbqt | data/4Y/4YS1-4G7/4YS1-4G7_target.pdbqt | data/4Y/4YS1-4G7/4YS1-4G7_decoys.pdbqt | data/4Y/4YS1-4G7/4YS1-4G7_decoy_scores.csv |
4Y5E-47T | data/4Y/4Y5E-47T/4Y5E-47T_ligand.pdbqt | data/4Y/4Y5E-47T/4Y5E-47T_target.pdbqt | data/4Y/4Y5E-47T/4Y5E-47T_decoys.pdbqt | data/4Y/4Y5E-47T/4Y5E-47T_decoy_scores.csv |
4YAW-2AM | data/4Y/4YAW-2AM/4YAW-2AM_ligand.pdbqt | data/4Y/4YAW-2AM/4YAW-2AM_target.pdbqt | data/4Y/4YAW-2AM/4YAW-2AM_decoys.pdbqt | data/4Y/4YAW-2AM/4YAW-2AM_decoy_scores.csv |
4YVV-GBM | data/4Y/4YVV-GBM/4YVV-GBM_ligand.pdbqt | data/4Y/4YVV-GBM/4YVV-GBM_target.pdbqt | data/4Y/4YVV-GBM/4YVV-GBM_decoys.pdbqt | data/4Y/4YVV-GBM/4YVV-GBM_decoy_scores.csv |
4YTB-GLN | data/4Y/4YTB-GLN/4YTB-GLN_ligand.pdbqt | data/4Y/4YTB-GLN/4YTB-GLN_target.pdbqt | data/4Y/4YTB-GLN/4YTB-GLN_decoys.pdbqt | data/4Y/4YTB-GLN/4YTB-GLN_decoy_scores.csv |
4Y3M-45Y | data/4Y/4Y3M-45Y/4Y3M-45Y_ligand.pdbqt | data/4Y/4Y3M-45Y/4Y3M-45Y_target.pdbqt | data/4Y/4Y3M-45Y/4Y3M-45Y_decoys.pdbqt | data/4Y/4Y3M-45Y/4Y3M-45Y_decoy_scores.csv |
4Y86-49D | data/4Y/4Y86-49D/4Y86-49D_ligand.pdbqt | data/4Y/4Y86-49D/4Y86-49D_target.pdbqt | data/4Y/4Y86-49D/4Y86-49D_decoys.pdbqt | data/4Y/4Y86-49D/4Y86-49D_decoy_scores.csv |
4Y5D-MT6 | data/4Y/4Y5D-MT6/4Y5D-MT6_ligand.pdbqt | data/4Y/4Y5D-MT6/4Y5D-MT6_target.pdbqt | data/4Y/4Y5D-MT6/4Y5D-MT6_decoys.pdbqt | data/4Y/4Y5D-MT6/4Y5D-MT6_decoy_scores.csv |
4YQ4-4G3 | data/4Y/4YQ4-4G3/4YQ4-4G3_ligand.pdbqt | data/4Y/4YQ4-4G3/4YQ4-4G3_target.pdbqt | data/4Y/4YQ4-4G3/4YQ4-4G3_decoys.pdbqt | data/4Y/4YQ4-4G3/4YQ4-4G3_decoy_scores.csv |
4Y7B-44I | data/4Y/4Y7B-44I/4Y7B-44I_ligand.pdbqt | data/4Y/4Y7B-44I/4Y7B-44I_target.pdbqt | data/4Y/4Y7B-44I/4Y7B-44I_decoys.pdbqt | data/4Y/4Y7B-44I/4Y7B-44I_decoy_scores.csv |
4YW9-GTP | data/4Y/4YW9-GTP/4YW9-GTP_ligand.pdbqt | data/4Y/4YW9-GTP/4YW9-GTP_target.pdbqt | data/4Y/4YW9-GTP/4YW9-GTP_decoys.pdbqt | data/4Y/4YW9-GTP/4YW9-GTP_decoy_scores.csv |
4YHO-4CC | data/4Y/4YHO-4CC/4YHO-4CC_ligand.pdbqt | data/4Y/4YHO-4CC/4YHO-4CC_target.pdbqt | data/4Y/4YHO-4CC/4YHO-4CC_decoys.pdbqt | data/4Y/4YHO-4CC/4YHO-4CC_decoy_scores.csv |
4Y4L-48N | data/4Y/4Y4L-48N/4Y4L-48N_ligand.pdbqt | data/4Y/4Y4L-48N/4Y4L-48N_target.pdbqt | data/4Y/4Y4L-48N/4Y4L-48N_decoys.pdbqt | data/4Y/4Y4L-48N/4Y4L-48N_decoy_scores.csv |
4Y2T-49Q | data/4Y/4Y2T-49Q/4Y2T-49Q_ligand.pdbqt | data/4Y/4Y2T-49Q/4Y2T-49Q_target.pdbqt | data/4Y/4Y2T-49Q/4Y2T-49Q_decoys.pdbqt | data/4Y/4Y2T-49Q/4Y2T-49Q_decoy_scores.csv |
4YV2-4K3 | data/4Y/4YV2-4K3/4YV2-4K3_ligand.pdbqt | data/4Y/4YV2-4K3/4YV2-4K3_target.pdbqt | data/4Y/4YV2-4K3/4YV2-4K3_decoys.pdbqt | data/4Y/4YV2-4K3/4YV2-4K3_decoy_scores.csv |
4Y6G-F6F | data/4Y/4Y6G-F6F/4Y6G-F6F_ligand.pdbqt | data/4Y/4Y6G-F6F/4Y6G-F6F_target.pdbqt | data/4Y/4Y6G-F6F/4Y6G-F6F_decoys.pdbqt | data/4Y/4Y6G-F6F/4Y6G-F6F_decoy_scores.csv |
4Y7C-FMN | data/4Y/4Y7C-FMN/4Y7C-FMN_ligand.pdbqt | data/4Y/4Y7C-FMN/4Y7C-FMN_target.pdbqt | data/4Y/4Y7C-FMN/4Y7C-FMN_decoys.pdbqt | data/4Y/4Y7C-FMN/4Y7C-FMN_decoy_scores.csv |
4YLW-ORO | data/4Y/4YLW-ORO/4YLW-ORO_ligand.pdbqt | data/4Y/4YLW-ORO/4YLW-ORO_target.pdbqt | data/4Y/4YLW-ORO/4YLW-ORO_decoys.pdbqt | data/4Y/4YLW-ORO/4YLW-ORO_decoy_scores.csv |
4YS2-2BA | data/4Y/4YS2-2BA/4YS2-2BA_ligand.pdbqt | data/4Y/4YS2-2BA/4YS2-2BA_target.pdbqt | data/4Y/4YS2-2BA/4YS2-2BA_decoys.pdbqt | data/4Y/4YS2-2BA/4YS2-2BA_decoy_scores.csv |
4YES-45S | data/4Y/4YES-45S/4YES-45S_ligand.pdbqt | data/4Y/4YES-45S/4YES-45S_target.pdbqt | data/4Y/4YES-45S/4YES-45S_decoys.pdbqt | data/4Y/4YES-45S/4YES-45S_decoy_scores.csv |
4Y9D-NAI | data/4Y/4Y9D-NAI/4Y9D-NAI_ligand.pdbqt | data/4Y/4Y9D-NAI/4Y9D-NAI_target.pdbqt | data/4Y/4Y9D-NAI/4Y9D-NAI_decoys.pdbqt | data/4Y/4Y9D-NAI/4Y9D-NAI_decoy_scores.csv |
4YZU-NHE | data/4Y/4YZU-NHE/4YZU-NHE_ligand.pdbqt | data/4Y/4YZU-NHE/4YZU-NHE_target.pdbqt | data/4Y/4YZU-NHE/4YZU-NHE_decoys.pdbqt | data/4Y/4YZU-NHE/4YZU-NHE_decoy_scores.csv |
4Y1P-IPM | data/4Y/4Y1P-IPM/4Y1P-IPM_ligand.pdbqt | data/4Y/4Y1P-IPM/4Y1P-IPM_target.pdbqt | data/4Y/4Y1P-IPM/4Y1P-IPM_decoys.pdbqt | data/4Y/4Y1P-IPM/4Y1P-IPM_decoy_scores.csv |
4YAV-GAZ | data/4Y/4YAV-GAZ/4YAV-GAZ_ligand.pdbqt | data/4Y/4YAV-GAZ/4YAV-GAZ_target.pdbqt | data/4Y/4YAV-GAZ/4YAV-GAZ_decoys.pdbqt | data/4Y/4YAV-GAZ/4YAV-GAZ_decoy_scores.csv |
4YXI-4J8 | data/4Y/4YXI-4J8/4YXI-4J8_ligand.pdbqt | data/4Y/4YXI-4J8/4YXI-4J8_target.pdbqt | data/4Y/4YXI-4J8/4YXI-4J8_decoys.pdbqt | data/4Y/4YXI-4J8/4YXI-4J8_decoy_scores.csv |
4YMG-SAM | data/4Y/4YMG-SAM/4YMG-SAM_ligand.pdbqt | data/4Y/4YMG-SAM/4YMG-SAM_target.pdbqt | data/4Y/4YMG-SAM/4YMG-SAM_decoys.pdbqt | data/4Y/4YMG-SAM/4YMG-SAM_decoy_scores.csv |
4YRK-HIS | data/4Y/4YRK-HIS/4YRK-HIS_ligand.pdbqt | data/4Y/4YRK-HIS/4YRK-HIS_target.pdbqt | data/4Y/4YRK-HIS/4YRK-HIS_decoys.pdbqt | data/4Y/4YRK-HIS/4YRK-HIS_decoy_scores.csv |
4YZU-4K6 | data/4Y/4YZU-4K6/4YZU-4K6_ligand.pdbqt | data/4Y/4YZU-4K6/4YZU-4K6_target.pdbqt | data/4Y/4YZU-4K6/4YZU-4K6_decoys.pdbqt | data/4Y/4YZU-4K6/4YZU-4K6_decoy_scores.csv |
4YQQ-4H7 | data/4Y/4YQQ-4H7/4YQQ-4H7_ligand.pdbqt | data/4Y/4YQQ-4H7/4YQQ-4H7_target.pdbqt | data/4Y/4YQQ-4H7/4YQQ-4H7_decoys.pdbqt | data/4Y/4YQQ-4H7/4YQQ-4H7_decoy_scores.csv |
4YRI-HIS | data/4Y/4YRI-HIS/4YRI-HIS_ligand.pdbqt | data/4Y/4YRI-HIS/4YRI-HIS_target.pdbqt | data/4Y/4YRI-HIS/4YRI-HIS_decoys.pdbqt | data/4Y/4YRI-HIS/4YRI-HIS_decoy_scores.csv |
4Y4E-46R | data/4Y/4Y4E-46R/4Y4E-46R_ligand.pdbqt | data/4Y/4Y4E-46R/4Y4E-46R_target.pdbqt | data/4Y/4Y4E-46R/4Y4E-46R_decoys.pdbqt | data/4Y/4Y4E-46R/4Y4E-46R_decoy_scores.csv |
4YTG-ARG | data/4Y/4YTG-ARG/4YTG-ARG_ligand.pdbqt | data/4Y/4YTG-ARG/4YTG-ARG_target.pdbqt | data/4Y/4YTG-ARG/4YTG-ARG_decoys.pdbqt | data/4Y/4YTG-ARG/4YTG-ARG_decoy_scores.csv |
4YV5-PE4 | data/4Y/4YV5-PE4/4YV5-PE4_ligand.pdbqt | data/4Y/4YV5-PE4/4YV5-PE4_target.pdbqt | data/4Y/4YV5-PE4/4YV5-PE4_decoys.pdbqt | data/4Y/4YV5-PE4/4YV5-PE4_decoy_scores.csv |
4YAG-NAI | data/4Y/4YAG-NAI/4YAG-NAI_ligand.pdbqt | data/4Y/4YAG-NAI/4YAG-NAI_target.pdbqt | data/4Y/4YAG-NAI/4YAG-NAI_decoys.pdbqt | data/4Y/4YAG-NAI/4YAG-NAI_decoy_scores.csv |
4YRQ-4JQ | data/4Y/4YRQ-4JQ/4YRQ-4JQ_ligand.pdbqt | data/4Y/4YRQ-4JQ/4YRQ-4JQ_target.pdbqt | data/4Y/4YRQ-4JQ/4YRQ-4JQ_decoys.pdbqt | data/4Y/4YRQ-4JQ/4YRQ-4JQ_decoy_scores.csv |
4YQ9-4GO | data/4Y/4YQ9-4GO/4YQ9-4GO_ligand.pdbqt | data/4Y/4YQ9-4GO/4YQ9-4GO_target.pdbqt | data/4Y/4YQ9-4GO/4YQ9-4GO_decoys.pdbqt | data/4Y/4YQ9-4GO/4YQ9-4GO_decoy_scores.csv |
4YB4-48Y | data/4Y/4YB4-48Y/4YB4-48Y_ligand.pdbqt | data/4Y/4YB4-48Y/4YB4-48Y_target.pdbqt | data/4Y/4YB4-48Y/4YB4-48Y_decoys.pdbqt | data/4Y/4YB4-48Y/4YB4-48Y_decoy_scores.csv |
4Y72-LZ9 | data/4Y/4Y72-LZ9/4Y72-LZ9_ligand.pdbqt | data/4Y/4Y72-LZ9/4Y72-LZ9_target.pdbqt | data/4Y/4Y72-LZ9/4Y72-LZ9_decoys.pdbqt | data/4Y/4Y72-LZ9/4Y72-LZ9_decoy_scores.csv |
4Y9T-PA1 | data/4Y/4Y9T-PA1/4Y9T-PA1_ligand.pdbqt | data/4Y/4Y9T-PA1/4Y9T-PA1_target.pdbqt | data/4Y/4Y9T-PA1/4Y9T-PA1_decoys.pdbqt | data/4Y/4Y9T-PA1/4Y9T-PA1_decoy_scores.csv |
4YOI-4F4 | data/4Y/4YOI-4F4/4YOI-4F4_ligand.pdbqt | data/4Y/4YOI-4F4/4YOI-4F4_target.pdbqt | data/4Y/4YOI-4F4/4YOI-4F4_decoys.pdbqt | data/4Y/4YOI-4F4/4YOI-4F4_decoy_scores.csv |
4Y6U-UPG | data/4Y/4Y6U-UPG/4Y6U-UPG_ligand.pdbqt | data/4Y/4Y6U-UPG/4Y6U-UPG_target.pdbqt | data/4Y/4Y6U-UPG/4Y6U-UPG_decoys.pdbqt | data/4Y/4Y6U-UPG/4Y6U-UPG_decoy_scores.csv |
4YLW-52Y | data/4Y/4YLW-52Y/4YLW-52Y_ligand.pdbqt | data/4Y/4YLW-52Y/4YLW-52Y_target.pdbqt | data/4Y/4YLW-52Y/4YLW-52Y_decoys.pdbqt | data/4Y/4YLW-52Y/4YLW-52Y_decoy_scores.csv |
4YB4-NAI | data/4Y/4YB4-NAI/4YB4-NAI_ligand.pdbqt | data/4Y/4YB4-NAI/4YB4-NAI_target.pdbqt | data/4Y/4YB4-NAI/4YB4-NAI_decoys.pdbqt | data/4Y/4YB4-NAI/4YB4-NAI_decoy_scores.csv |
4YWJ-NAD | data/4Y/4YWJ-NAD/4YWJ-NAD_ligand.pdbqt | data/4Y/4YWJ-NAD/4YWJ-NAD_target.pdbqt | data/4Y/4YWJ-NAD/4YWJ-NAD_decoys.pdbqt | data/4Y/4YWJ-NAD/4YWJ-NAD_decoy_scores.csv |
4YIK-2O2 | data/4Y/4YIK-2O2/4YIK-2O2_ligand.pdbqt | data/4Y/4YIK-2O2/4YIK-2O2_target.pdbqt | data/4Y/4YIK-2O2/4YIK-2O2_decoys.pdbqt | data/4Y/4YIK-2O2/4YIK-2O2_decoy_scores.csv |
4YBZ-ADP | data/4Y/4YBZ-ADP/4YBZ-ADP_ligand.pdbqt | data/4Y/4YBZ-ADP/4YBZ-ADP_target.pdbqt | data/4Y/4YBZ-ADP/4YBZ-ADP_decoys.pdbqt | data/4Y/4YBZ-ADP/4YBZ-ADP_decoy_scores.csv |
4YRF-HIS | data/4Y/4YRF-HIS/4YRF-HIS_ligand.pdbqt | data/4Y/4YRF-HIS/4YRF-HIS_target.pdbqt | data/4Y/4YRF-HIS/4YRF-HIS_decoys.pdbqt | data/4Y/4YRF-HIS/4YRF-HIS_decoy_scores.csv |
4Y2Y-49Z | data/4Y/4Y2Y-49Z/4Y2Y-49Z_ligand.pdbqt | data/4Y/4Y2Y-49Z/4Y2Y-49Z_target.pdbqt | data/4Y/4Y2Y-49Z/4Y2Y-49Z_decoys.pdbqt | data/4Y/4Y2Y-49Z/4Y2Y-49Z_decoy_scores.csv |
4Y6N-3PG | data/4Y/4Y6N-3PG/4Y6N-3PG_ligand.pdbqt | data/4Y/4Y6N-3PG/4Y6N-3PG_target.pdbqt | data/4Y/4Y6N-3PG/4Y6N-3PG_decoys.pdbqt | data/4Y/4Y6N-3PG/4Y6N-3PG_decoy_scores.csv |
4YW1-DAN | data/4Y/4YW1-DAN/4YW1-DAN_ligand.pdbqt | data/4Y/4YW1-DAN/4YW1-DAN_target.pdbqt | data/4Y/4YW1-DAN/4YW1-DAN_decoys.pdbqt | data/4Y/4YW1-DAN/4YW1-DAN_decoy_scores.csv |
4YDN-2WN | data/4Y/4YDN-2WN/4YDN-2WN_ligand.pdbqt | data/4Y/4YDN-2WN/4YDN-2WN_target.pdbqt | data/4Y/4YDN-2WN/4YDN-2WN_decoys.pdbqt | data/4Y/4YDN-2WN/4YDN-2WN_decoy_scores.csv |
4Y9F-MKT | data/4Y/4Y9F-MKT/4Y9F-MKT_ligand.pdbqt | data/4Y/4Y9F-MKT/4Y9F-MKT_target.pdbqt | data/4Y/4Y9F-MKT/4Y9F-MKT_decoys.pdbqt | data/4Y/4Y9F-MKT/4Y9F-MKT_decoy_scores.csv |
4YDQ-HFG | data/4Y/4YDQ-HFG/4YDQ-HFG_ligand.pdbqt | data/4Y/4YDQ-HFG/4YDQ-HFG_target.pdbqt | data/4Y/4YDQ-HFG/4YDQ-HFG_decoys.pdbqt | data/4Y/4YDQ-HFG/4YDQ-HFG_decoy_scores.csv |
4Y4A-47G | data/4Y/4Y4A-47G/4Y4A-47G_ligand.pdbqt | data/4Y/4Y4A-47G/4Y4A-47G_target.pdbqt | data/4Y/4Y4A-47G/4Y4A-47G_decoys.pdbqt | data/4Y/4Y4A-47G/4Y4A-47G_decoy_scores.csv |
4Y2P-3C5 | data/4Y/4Y2P-3C5/4Y2P-3C5_ligand.pdbqt | data/4Y/4Y2P-3C5/4Y2P-3C5_target.pdbqt | data/4Y/4Y2P-3C5/4Y2P-3C5_decoys.pdbqt | data/4Y/4Y2P-3C5/4Y2P-3C5_decoy_scores.csv |
4YQ8-4FV | data/4Y/4YQ8-4FV/4YQ8-4FV_ligand.pdbqt | data/4Y/4YQ8-4FV/4YQ8-4FV_target.pdbqt | data/4Y/4YQ8-4FV/4YQ8-4FV_decoys.pdbqt | data/4Y/4YQ8-4FV/4YQ8-4FV_decoy_scores.csv |
4YUV-S4M | data/4Y/4YUV-S4M/4YUV-S4M_ligand.pdbqt | data/4Y/4YUV-S4M/4YUV-S4M_target.pdbqt | data/4Y/4YUV-S4M/4YUV-S4M_decoys.pdbqt | data/4Y/4YUV-S4M/4YUV-S4M_decoy_scores.csv |
4YJO-4DF | data/4Y/4YJO-4DF/4YJO-4DF_ligand.pdbqt | data/4Y/4YJO-4DF/4YJO-4DF_target.pdbqt | data/4Y/4YJO-4DF/4YJO-4DF_decoys.pdbqt | data/4Y/4YJO-4DF/4YJO-4DF_decoy_scores.csv |
4YMZ-13P | data/4Y/4YMZ-13P/4YMZ-13P_ligand.pdbqt | data/4Y/4YMZ-13P/4YMZ-13P_target.pdbqt | data/4Y/4YMZ-13P/4YMZ-13P_decoys.pdbqt | data/4Y/4YMZ-13P/4YMZ-13P_decoy_scores.csv |
4Y95-PE4 | data/4Y/4Y95-PE4/4Y95-PE4_ligand.pdbqt | data/4Y/4Y95-PE4/4Y95-PE4_target.pdbqt | data/4Y/4Y95-PE4/4Y95-PE4_decoys.pdbqt | data/4Y/4Y95-PE4/4Y95-PE4_decoy_scores.csv |
4Y0S-PX9 | data/4Y/4Y0S-PX9/4Y0S-PX9_ligand.pdbqt | data/4Y/4Y0S-PX9/4Y0S-PX9_target.pdbqt | data/4Y/4Y0S-PX9/4Y0S-PX9_decoys.pdbqt | data/4Y/4Y0S-PX9/4Y0S-PX9_decoy_scores.csv |
4YQA-4GN | data/4Y/4YQA-4GN/4YQA-4GN_ligand.pdbqt | data/4Y/4YQA-4GN/4YQA-4GN_target.pdbqt | data/4Y/4YQA-4GN/4YQA-4GN_decoys.pdbqt | data/4Y/4YQA-4GN/4YQA-4GN_decoy_scores.csv |
4Y9E-MKT | data/4Y/4Y9E-MKT/4Y9E-MKT_ligand.pdbqt | data/4Y/4Y9E-MKT/4Y9E-MKT_target.pdbqt | data/4Y/4Y9E-MKT/4Y9E-MKT_decoys.pdbqt | data/4Y/4Y9E-MKT/4Y9E-MKT_decoy_scores.csv |
4Y9P-C2E | data/4Y/4Y9P-C2E/4Y9P-C2E_ligand.pdbqt | data/4Y/4Y9P-C2E/4Y9P-C2E_target.pdbqt | data/4Y/4Y9P-C2E/4Y9P-C2E_decoys.pdbqt | data/4Y/4Y9P-C2E/4Y9P-C2E_decoy_scores.csv |
4YB8-ADP | data/4Y/4YB8-ADP/4YB8-ADP_ligand.pdbqt | data/4Y/4YB8-ADP/4YB8-ADP_target.pdbqt | data/4Y/4YB8-ADP/4YB8-ADP_decoys.pdbqt | data/4Y/4YB8-ADP/4YB8-ADP_decoy_scores.csv |
4YQT-4H8 | data/4Y/4YQT-4H8/4YQT-4H8_ligand.pdbqt | data/4Y/4YQT-4H8/4YQT-4H8_target.pdbqt | data/4Y/4YQT-4H8/4YQT-4H8_decoys.pdbqt | data/4Y/4YQT-4H8/4YQT-4H8_decoy_scores.csv |
4YDU-ADP | data/4Y/4YDU-ADP/4YDU-ADP_ligand.pdbqt | data/4Y/4YDU-ADP/4YDU-ADP_target.pdbqt | data/4Y/4YDU-ADP/4YDU-ADP_decoys.pdbqt | data/4Y/4YDU-ADP/4YDU-ADP_decoy_scores.csv |
4YXU-4JE | data/4Y/4YXU-4JE/4YXU-4JE_ligand.pdbqt | data/4Y/4YXU-4JE/4YXU-4JE_target.pdbqt | data/4Y/4YXU-4JE/4YXU-4JE_decoys.pdbqt | data/4Y/4YXU-4JE/4YXU-4JE_decoy_scores.csv |
4YT7-4K1 | data/4Y/4YT7-4K1/4YT7-4K1_ligand.pdbqt | data/4Y/4YT7-4K1/4YT7-4K1_target.pdbqt | data/4Y/4YT7-4K1/4YT7-4K1_decoys.pdbqt | data/4Y/4YT7-4K1/4YT7-4K1_decoy_scores.csv |
4YJ1-ADP | data/4Y/4YJ1-ADP/4YJ1-ADP_ligand.pdbqt | data/4Y/4YJ1-ADP/4YJ1-ADP_target.pdbqt | data/4Y/4YJ1-ADP/4YJ1-ADP_decoys.pdbqt | data/4Y/4YJ1-ADP/4YJ1-ADP_decoy_scores.csv |
4YMB-4E7 | data/4Y/4YMB-4E7/4YMB-4E7_ligand.pdbqt | data/4Y/4YMB-4E7/4YMB-4E7_target.pdbqt | data/4Y/4YMB-4E7/4YMB-4E7_decoys.pdbqt | data/4Y/4YMB-4E7/4YMB-4E7_decoy_scores.csv |
4YI7-BE2 | data/4Y/4YI7-BE2/4YI7-BE2_ligand.pdbqt | data/4Y/4YI7-BE2/4YI7-BE2_target.pdbqt | data/4Y/4YI7-BE2/4YI7-BE2_decoys.pdbqt | data/4Y/4YI7-BE2/4YI7-BE2_decoy_scores.csv |
4Y5M-47Y | data/4Y/4Y5M-47Y/4Y5M-47Y_ligand.pdbqt | data/4Y/4Y5M-47Y/4Y5M-47Y_target.pdbqt | data/4Y/4Y5M-47Y/4Y5M-47Y_decoys.pdbqt | data/4Y/4Y5M-47Y/4Y5M-47Y_decoy_scores.csv |
4YFY-0FX | data/4Y/4YFY-0FX/4YFY-0FX_ligand.pdbqt | data/4Y/4YFY-0FX/4YFY-0FX_target.pdbqt | data/4Y/4YFY-0FX/4YFY-0FX_decoys.pdbqt | data/4Y/4YFY-0FX/4YFY-0FX_decoy_scores.csv |
4Y4W-46W | data/4Y/4Y4W-46W/4Y4W-46W_ligand.pdbqt | data/4Y/4Y4W-46W/4Y4W-46W_target.pdbqt | data/4Y/4Y4W-46W/4Y4W-46W_decoys.pdbqt | data/4Y/4Y4W-46W/4Y4W-46W_decoy_scores.csv |
4Y41-46O | data/4Y/4Y41-46O/4Y41-46O_ligand.pdbqt | data/4Y/4Y41-46O/4Y41-46O_target.pdbqt | data/4Y/4Y41-46O/4Y41-46O_decoys.pdbqt | data/4Y/4Y41-46O/4Y41-46O_decoy_scores.csv |
4Y3N-45V | data/4Y/4Y3N-45V/4Y3N-45V_ligand.pdbqt | data/4Y/4Y3N-45V/4Y3N-45V_target.pdbqt | data/4Y/4Y3N-45V/4Y3N-45V_decoys.pdbqt | data/4Y/4Y3N-45V/4Y3N-45V_decoy_scores.csv |
4Y51-47A | data/4Y/4Y51-47A/4Y51-47A_ligand.pdbqt | data/4Y/4Y51-47A/4Y51-47A_target.pdbqt | data/4Y/4Y51-47A/4Y51-47A_decoys.pdbqt | data/4Y/4Y51-47A/4Y51-47A_decoy_scores.csv |
4YFB-PAC | data/4Y/4YFB-PAC/4YFB-PAC_ligand.pdbqt | data/4Y/4YFB-PAC/4YFB-PAC_target.pdbqt | data/4Y/4YFB-PAC/4YFB-PAC_decoys.pdbqt | data/4Y/4YFB-PAC/4YFB-PAC_decoy_scores.csv |
4YGF-AZM | data/4Y/4YGF-AZM/4YGF-AZM_ligand.pdbqt | data/4Y/4YGF-AZM/4YGF-AZM_target.pdbqt | data/4Y/4YGF-AZM/4YGF-AZM_decoys.pdbqt | data/4Y/4YGF-AZM/4YGF-AZM_decoy_scores.csv |
4YC7-GNP | data/4Y/4YC7-GNP/4YC7-GNP_ligand.pdbqt | data/4Y/4YC7-GNP/4YC7-GNP_target.pdbqt | data/4Y/4YC7-GNP/4YC7-GNP_decoys.pdbqt | data/4Y/4YC7-GNP/4YC7-GNP_decoy_scores.csv |
4Y59-T21 | data/4Y/4Y59-T21/4Y59-T21_ligand.pdbqt | data/4Y/4Y59-T21/4Y59-T21_target.pdbqt | data/4Y/4Y59-T21/4Y59-T21_decoys.pdbqt | data/4Y/4Y59-T21/4Y59-T21_decoy_scores.csv |
4YBM-4BJ | data/4Y/4YBM-4BJ/4YBM-4BJ_ligand.pdbqt | data/4Y/4YBM-4BJ/4YBM-4BJ_target.pdbqt | data/4Y/4YBM-4BJ/4YBM-4BJ_decoys.pdbqt | data/4Y/4YBM-4BJ/4YBM-4BJ_decoy_scores.csv |
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