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 ⌀ |
|---|---|---|---|---|
4EJ8-1F1 | data/4E/4EJ8-1F1/4EJ8-1F1_ligand.pdbqt | data/4E/4EJ8-1F1/4EJ8-1F1_target.pdbqt | data/4E/4EJ8-1F1/4EJ8-1F1_decoys.pdbqt | data/4E/4EJ8-1F1/4EJ8-1F1_decoy_scores.csv |
4E6Q-0NV | data/4E/4E6Q-0NV/4E6Q-0NV_ligand.pdbqt | data/4E/4E6Q-0NV/4E6Q-0NV_target.pdbqt | data/4E/4E6Q-0NV/4E6Q-0NV_decoys.pdbqt | data/4E/4E6Q-0NV/4E6Q-0NV_decoy_scores.csv |
4EW2-DXY | data/4E/4EW2-DXY/4EW2-DXY_ligand.pdbqt | data/4E/4EW2-DXY/4EW2-DXY_target.pdbqt | data/4E/4EW2-DXY/4EW2-DXY_decoys.pdbqt | data/4E/4EW2-DXY/4EW2-DXY_decoy_scores.csv |
4E33-SAH | data/4E/4E33-SAH/4E33-SAH_ligand.pdbqt | data/4E/4E33-SAH/4E33-SAH_target.pdbqt | data/4E/4E33-SAH/4E33-SAH_decoys.pdbqt | data/4E/4E33-SAH/4E33-SAH_decoy_scores.csv |
4EM9-KNA | data/4E/4EM9-KNA/4EM9-KNA_ligand.pdbqt | data/4E/4EM9-KNA/4EM9-KNA_target.pdbqt | data/4E/4EM9-KNA/4EM9-KNA_decoys.pdbqt | data/4E/4EM9-KNA/4EM9-KNA_decoy_scores.csv |
4EK1-MTN | data/4E/4EK1-MTN/4EK1-MTN_ligand.pdbqt | data/4E/4EK1-MTN/4EK1-MTN_target.pdbqt | data/4E/4EK1-MTN/4EK1-MTN_decoys.pdbqt | data/4E/4EK1-MTN/4EK1-MTN_decoy_scores.csv |
4EJK-IOP | data/4E/4EJK-IOP/4EJK-IOP_ligand.pdbqt | data/4E/4EJK-IOP/4EJK-IOP_target.pdbqt | data/4E/4EJK-IOP/4EJK-IOP_decoys.pdbqt | data/4E/4EJK-IOP/4EJK-IOP_decoy_scores.csv |
4EO8-0S3 | data/4E/4EO8-0S3/4EO8-0S3_ligand.pdbqt | data/4E/4EO8-0S3/4EO8-0S3_target.pdbqt | data/4E/4EO8-0S3/4EO8-0S3_decoys.pdbqt | data/4E/4EO8-0S3/4EO8-0S3_decoy_scores.csv |
4EDR-UTP | data/4E/4EDR-UTP/4EDR-UTP_ligand.pdbqt | data/4E/4EDR-UTP/4EDR-UTP_target.pdbqt | data/4E/4EDR-UTP/4EDR-UTP_decoys.pdbqt | data/4E/4EDR-UTP/4EDR-UTP_decoy_scores.csv |
4EUX-H4B | data/4E/4EUX-H4B/4EUX-H4B_ligand.pdbqt | data/4E/4EUX-H4B/4EUX-H4B_target.pdbqt | data/4E/4EUX-H4B/4EUX-H4B_decoys.pdbqt | data/4E/4EUX-H4B/4EUX-H4B_decoy_scores.csv |
4EH2-IRG | data/4E/4EH2-IRG/4EH2-IRG_ligand.pdbqt | data/4E/4EH2-IRG/4EH2-IRG_target.pdbqt | data/4E/4EH2-IRG/4EH2-IRG_decoys.pdbqt | data/4E/4EH2-IRG/4EH2-IRG_decoy_scores.csv |
4EYO-HC4 | data/4E/4EYO-HC4/4EYO-HC4_ligand.pdbqt | data/4E/4EYO-HC4/4EYO-HC4_target.pdbqt | data/4E/4EYO-HC4/4EYO-HC4_decoys.pdbqt | data/4E/4EYO-HC4/4EYO-HC4_decoy_scores.csv |
4E0X-KAI | data/4E/4E0X-KAI/4E0X-KAI_ligand.pdbqt | data/4E/4E0X-KAI/4E0X-KAI_target.pdbqt | data/4E/4E0X-KAI/4E0X-KAI_decoys.pdbqt | data/4E/4E0X-KAI/4E0X-KAI_decoy_scores.csv |
4ERW-STU | data/4E/4ERW-STU/4ERW-STU_ligand.pdbqt | data/4E/4ERW-STU/4ERW-STU_target.pdbqt | data/4E/4ERW-STU/4ERW-STU_decoys.pdbqt | data/4E/4ERW-STU/4ERW-STU_decoy_scores.csv |
4E1B-TXA | data/4E/4E1B-TXA/4E1B-TXA_ligand.pdbqt | data/4E/4E1B-TXA/4E1B-TXA_target.pdbqt | data/4E/4E1B-TXA/4E1B-TXA_decoys.pdbqt | data/4E/4E1B-TXA/4E1B-TXA_decoy_scores.csv |
4EQG-A5A | data/4E/4EQG-A5A/4EQG-A5A_ligand.pdbqt | data/4E/4EQG-A5A/4EQG-A5A_target.pdbqt | data/4E/4EQG-A5A/4EQG-A5A_decoys.pdbqt | data/4E/4EQG-A5A/4EQG-A5A_decoy_scores.csv |
4EH3-IRG | data/4E/4EH3-IRG/4EH3-IRG_ligand.pdbqt | data/4E/4EH3-IRG/4EH3-IRG_target.pdbqt | data/4E/4EH3-IRG/4EH3-IRG_decoys.pdbqt | data/4E/4EH3-IRG/4EH3-IRG_decoy_scores.csv |
4EV4-MER | data/4E/4EV4-MER/4EV4-MER_ligand.pdbqt | data/4E/4EV4-MER/4EV4-MER_target.pdbqt | data/4E/4EV4-MER/4EV4-MER_decoys.pdbqt | data/4E/4EV4-MER/4EV4-MER_decoy_scores.csv |
4EQ4-AMP | data/4E/4EQ4-AMP/4EQ4-AMP_ligand.pdbqt | data/4E/4EQ4-AMP/4EQ4-AMP_target.pdbqt | data/4E/4EQ4-AMP/4EQ4-AMP_decoys.pdbqt | data/4E/4EQ4-AMP/4EQ4-AMP_decoy_scores.csv |
4EEQ-0OX | data/4E/4EEQ-0OX/4EEQ-0OX_ligand.pdbqt | data/4E/4EEQ-0OX/4EEQ-0OX_target.pdbqt | data/4E/4EEQ-0OX/4EEQ-0OX_decoys.pdbqt | data/4E/4EEQ-0OX/4EEQ-0OX_decoy_scores.csv |
4E30-SAH | data/4E/4E30-SAH/4E30-SAH_ligand.pdbqt | data/4E/4E30-SAH/4E30-SAH_target.pdbqt | data/4E/4E30-SAH/4E30-SAH_decoys.pdbqt | data/4E/4E30-SAH/4E30-SAH_decoy_scores.csv |
4EJH-0QA | data/4E/4EJH-0QA/4EJH-0QA_ligand.pdbqt | data/4E/4EJH-0QA/4EJH-0QA_target.pdbqt | data/4E/4EJH-0QA/4EJH-0QA_decoys.pdbqt | data/4E/4EJH-0QA/4EJH-0QA_decoy_scores.csv |
4EZ8-NOH | data/4E/4EZ8-NOH/4EZ8-NOH_ligand.pdbqt | data/4E/4EZ8-NOH/4EZ8-NOH_target.pdbqt | data/4E/4EZ8-NOH/4EZ8-NOH_decoys.pdbqt | data/4E/4EZ8-NOH/4EZ8-NOH_decoy_scores.csv |
4E1F-ADP | data/4E/4E1F-ADP/4E1F-ADP_ligand.pdbqt | data/4E/4E1F-ADP/4E1F-ADP_target.pdbqt | data/4E/4E1F-ADP/4E1F-ADP_decoys.pdbqt | data/4E/4E1F-ADP/4E1F-ADP_decoy_scores.csv |
4EQ1-PE5 | data/4E/4EQ1-PE5/4EQ1-PE5_ligand.pdbqt | data/4E/4EQ1-PE5/4EQ1-PE5_target.pdbqt | data/4E/4EQ1-PE5/4EQ1-PE5_decoys.pdbqt | data/4E/4EQ1-PE5/4EQ1-PE5_decoy_scores.csv |
4EK7-BGC | data/4E/4EK7-BGC/4EK7-BGC_ligand.pdbqt | data/4E/4EK7-BGC/4EK7-BGC_target.pdbqt | data/4E/4EK7-BGC/4EK7-BGC_decoys.pdbqt | data/4E/4EK7-BGC/4EK7-BGC_decoy_scores.csv |
4EDG-ATP | data/4E/4EDG-ATP/4EDG-ATP_ligand.pdbqt | data/4E/4EDG-ATP/4EDG-ATP_target.pdbqt | data/4E/4EDG-ATP/4EDG-ATP_decoys.pdbqt | data/4E/4EDG-ATP/4EDG-ATP_decoy_scores.csv |
4ELE-31I | data/4E/4ELE-31I/4ELE-31I_ligand.pdbqt | data/4E/4ELE-31I/4ELE-31I_target.pdbqt | data/4E/4ELE-31I/4ELE-31I_decoys.pdbqt | data/4E/4ELE-31I/4ELE-31I_decoy_scores.csv |
4EPX-0QR | data/4E/4EPX-0QR/4EPX-0QR_ligand.pdbqt | data/4E/4EPX-0QR/4EPX-0QR_target.pdbqt | data/4E/4EPX-0QR/4EPX-0QR_decoys.pdbqt | data/4E/4EPX-0QR/4EPX-0QR_decoy_scores.csv |
4EH6-IRG | data/4E/4EH6-IRG/4EH6-IRG_ligand.pdbqt | data/4E/4EH6-IRG/4EH6-IRG_target.pdbqt | data/4E/4EH6-IRG/4EH6-IRG_decoys.pdbqt | data/4E/4EH6-IRG/4EH6-IRG_decoy_scores.csv |
4E7E-UPG | data/4E/4E7E-UPG/4E7E-UPG_ligand.pdbqt | data/4E/4E7E-UPG/4E7E-UPG_target.pdbqt | data/4E/4E7E-UPG/4E7E-UPG_decoys.pdbqt | data/4E/4E7E-UPG/4E7E-UPG_decoy_scores.csv |
4EQU-G6I | data/4E/4EQU-G6I/4EQU-G6I_ligand.pdbqt | data/4E/4EQU-G6I/4EQU-G6I_target.pdbqt | data/4E/4EQU-G6I/4EQU-G6I_decoys.pdbqt | data/4E/4EQU-G6I/4EQU-G6I_decoy_scores.csv |
4EBL-DGF | data/4E/4EBL-DGF/4EBL-DGF_ligand.pdbqt | data/4E/4EBL-DGF/4EBL-DGF_target.pdbqt | data/4E/4EBL-DGF/4EBL-DGF_decoys.pdbqt | data/4E/4EBL-DGF/4EBL-DGF_decoy_scores.csv |
4EPM-AMP | data/4E/4EPM-AMP/4EPM-AMP_ligand.pdbqt | data/4E/4EPM-AMP/4EPM-AMP_target.pdbqt | data/4E/4EPM-AMP/4EPM-AMP_decoys.pdbqt | data/4E/4EPM-AMP/4EPM-AMP_decoy_scores.csv |
4ETJ-PE5 | data/4E/4ETJ-PE5/4ETJ-PE5_ligand.pdbqt | data/4E/4ETJ-PE5/4ETJ-PE5_target.pdbqt | data/4E/4ETJ-PE5/4ETJ-PE5_decoys.pdbqt | data/4E/4ETJ-PE5/4ETJ-PE5_decoy_scores.csv |
4EV1-NHE | data/4E/4EV1-NHE/4EV1-NHE_ligand.pdbqt | data/4E/4EV1-NHE/4EV1-NHE_target.pdbqt | data/4E/4EV1-NHE/4EV1-NHE_decoys.pdbqt | data/4E/4EV1-NHE/4EV1-NHE_decoy_scores.csv |
4EHY-ADP | data/4E/4EHY-ADP/4EHY-ADP_ligand.pdbqt | data/4E/4EHY-ADP/4EHY-ADP_target.pdbqt | data/4E/4EHY-ADP/4EHY-ADP_decoys.pdbqt | data/4E/4EHY-ADP/4EHY-ADP_decoy_scores.csv |
4EES-FMN | data/4E/4EES-FMN/4EES-FMN_ligand.pdbqt | data/4E/4EES-FMN/4EES-FMN_target.pdbqt | data/4E/4EES-FMN/4EES-FMN_decoys.pdbqt | data/4E/4EES-FMN/4EES-FMN_decoy_scores.csv |
4EE0-0O4 | data/4E/4EE0-0O4/4EE0-0O4_ligand.pdbqt | data/4E/4EE0-0O4/4EE0-0O4_target.pdbqt | data/4E/4EE0-0O4/4EE0-0O4_decoys.pdbqt | data/4E/4EE0-0O4/4EE0-0O4_decoy_scores.csv |
4E7C-UTP | data/4E/4E7C-UTP/4E7C-UTP_ligand.pdbqt | data/4E/4E7C-UTP/4E7C-UTP_target.pdbqt | data/4E/4E7C-UTP/4E7C-UTP_decoys.pdbqt | data/4E/4E7C-UTP/4E7C-UTP_decoy_scores.csv |
4E33-0N2 | data/4E/4E33-0N2/4E33-0N2_ligand.pdbqt | data/4E/4E33-0N2/4E33-0N2_target.pdbqt | data/4E/4E33-0N2/4E33-0N2_decoys.pdbqt | data/4E/4E33-0N2/4E33-0N2_decoy_scores.csv |
4ESQ-BTB | data/4E/4ESQ-BTB/4ESQ-BTB_ligand.pdbqt | data/4E/4ESQ-BTB/4ESQ-BTB_target.pdbqt | null | null |
4E30-TYD | data/4E/4E30-TYD/4E30-TYD_ligand.pdbqt | data/4E/4E30-TYD/4E30-TYD_target.pdbqt | data/4E/4E30-TYD/4E30-TYD_decoys.pdbqt | data/4E/4E30-TYD/4E30-TYD_decoy_scores.csv |
4E4K-RRG | data/4E/4E4K-RRG/4E4K-RRG_ligand.pdbqt | data/4E/4E4K-RRG/4E4K-RRG_target.pdbqt | data/4E/4E4K-RRG/4E4K-RRG_decoys.pdbqt | data/4E/4E4K-RRG/4E4K-RRG_decoy_scores.csv |
4E3Q-PMP | data/4E/4E3Q-PMP/4E3Q-PMP_ligand.pdbqt | data/4E/4E3Q-PMP/4E3Q-PMP_target.pdbqt | data/4E/4E3Q-PMP/4E3Q-PMP_decoys.pdbqt | data/4E/4E3Q-PMP/4E3Q-PMP_decoy_scores.csv |
4EAI-AMP | data/4E/4EAI-AMP/4EAI-AMP_ligand.pdbqt | data/4E/4EAI-AMP/4EAI-AMP_target.pdbqt | data/4E/4EAI-AMP/4EAI-AMP_decoys.pdbqt | data/4E/4EAI-AMP/4EAI-AMP_decoy_scores.csv |
4EEV-L1X | data/4E/4EEV-L1X/4EEV-L1X_ligand.pdbqt | data/4E/4EEV-L1X/4EEV-L1X_target.pdbqt | data/4E/4EEV-L1X/4EEV-L1X_decoys.pdbqt | data/4E/4EEV-L1X/4EEV-L1X_decoy_scores.csv |
4ER0-AW1 | data/4E/4ER0-AW1/4ER0-AW1_ligand.pdbqt | data/4E/4ER0-AW1/4ER0-AW1_target.pdbqt | data/4E/4ER0-AW1/4ER0-AW1_decoys.pdbqt | data/4E/4ER0-AW1/4ER0-AW1_decoy_scores.csv |
4EHT-ADP | data/4E/4EHT-ADP/4EHT-ADP_ligand.pdbqt | data/4E/4EHT-ADP/4EHT-ADP_target.pdbqt | data/4E/4EHT-ADP/4EHT-ADP_decoys.pdbqt | data/4E/4EHT-ADP/4EHT-ADP_decoy_scores.csv |
4EH4-IRG | data/4E/4EH4-IRG/4EH4-IRG_ligand.pdbqt | data/4E/4EH4-IRG/4EH4-IRG_target.pdbqt | data/4E/4EH4-IRG/4EH4-IRG_decoys.pdbqt | data/4E/4EH4-IRG/4EH4-IRG_decoy_scores.csv |
4EYF-PNK | data/4E/4EYF-PNK/4EYF-PNK_ligand.pdbqt | data/4E/4EYF-PNK/4EYF-PNK_target.pdbqt | data/4E/4EYF-PNK/4EYF-PNK_decoys.pdbqt | data/4E/4EYF-PNK/4EYF-PNK_decoy_scores.csv |
4EQL-SAL | data/4E/4EQL-SAL/4EQL-SAL_ligand.pdbqt | data/4E/4EQL-SAL/4EQL-SAL_target.pdbqt | data/4E/4EQL-SAL/4EQL-SAL_decoys.pdbqt | data/4E/4EQL-SAL/4EQL-SAL_decoy_scores.csv |
4E5W-0NT | data/4E/4E5W-0NT/4E5W-0NT_ligand.pdbqt | data/4E/4E5W-0NT/4E5W-0NT_target.pdbqt | data/4E/4E5W-0NT/4E5W-0NT_decoys.pdbqt | data/4E/4E5W-0NT/4E5W-0NT_decoy_scores.csv |
4EJ1-FOL | data/4E/4EJ1-FOL/4EJ1-FOL_ligand.pdbqt | data/4E/4EJ1-FOL/4EJ1-FOL_target.pdbqt | data/4E/4EJ1-FOL/4EJ1-FOL_decoys.pdbqt | data/4E/4EJ1-FOL/4EJ1-FOL_decoy_scores.csv |
4E9Z-651 | data/4E/4E9Z-651/4E9Z-651_ligand.pdbqt | data/4E/4E9Z-651/4E9Z-651_target.pdbqt | data/4E/4E9Z-651/4E9Z-651_decoys.pdbqt | data/4E/4E9Z-651/4E9Z-651_decoy_scores.csv |
4EF2-PE8 | data/4E/4EF2-PE8/4EF2-PE8_ligand.pdbqt | data/4E/4EF2-PE8/4EF2-PE8_target.pdbqt | data/4E/4EF2-PE8/4EF2-PE8_decoys.pdbqt | data/4E/4EF2-PE8/4EF2-PE8_decoy_scores.csv |
4E5P-NAD | data/4E/4E5P-NAD/4E5P-NAD_ligand.pdbqt | data/4E/4E5P-NAD/4E5P-NAD_target.pdbqt | data/4E/4E5P-NAD/4E5P-NAD_decoys.pdbqt | data/4E/4E5P-NAD/4E5P-NAD_decoy_scores.csv |
4EUV-C2E | data/4E/4EUV-C2E/4EUV-C2E_ligand.pdbqt | data/4E/4EUV-C2E/4EUV-C2E_target.pdbqt | data/4E/4EUV-C2E/4EUV-C2E_decoys.pdbqt | data/4E/4EUV-C2E/4EUV-C2E_decoy_scores.csv |
4ETZ-C2E | data/4E/4ETZ-C2E/4ETZ-C2E_ligand.pdbqt | data/4E/4ETZ-C2E/4ETZ-C2E_target.pdbqt | data/4E/4ETZ-C2E/4ETZ-C2E_decoys.pdbqt | data/4E/4ETZ-C2E/4ETZ-C2E_decoy_scores.csv |
4EK4-1CK | data/4E/4EK4-1CK/4EK4-1CK_ligand.pdbqt | data/4E/4EK4-1CK/4EK4-1CK_target.pdbqt | data/4E/4EK4-1CK/4EK4-1CK_decoys.pdbqt | data/4E/4EK4-1CK/4EK4-1CK_decoy_scores.csv |
4E3F-GRE | data/4E/4E3F-GRE/4E3F-GRE_ligand.pdbqt | data/4E/4E3F-GRE/4E3F-GRE_target.pdbqt | data/4E/4E3F-GRE/4E3F-GRE_decoys.pdbqt | data/4E/4E3F-GRE/4E3F-GRE_decoy_scores.csv |
4EGK-RDC | data/4E/4EGK-RDC/4EGK-RDC_ligand.pdbqt | data/4E/4EGK-RDC/4EGK-RDC_target.pdbqt | data/4E/4EGK-RDC/4EGK-RDC_decoys.pdbqt | data/4E/4EGK-RDC/4EGK-RDC_decoy_scores.csv |
4E2D-FMN | data/4E/4E2D-FMN/4E2D-FMN_ligand.pdbqt | data/4E/4E2D-FMN/4E2D-FMN_target.pdbqt | data/4E/4E2D-FMN/4E2D-FMN_decoys.pdbqt | data/4E/4E2D-FMN/4E2D-FMN_decoy_scores.csv |
4EVY-TOY | data/4E/4EVY-TOY/4EVY-TOY_ligand.pdbqt | data/4E/4EVY-TOY/4EVY-TOY_target.pdbqt | data/4E/4EVY-TOY/4EVY-TOY_decoys.pdbqt | data/4E/4EVY-TOY/4EVY-TOY_decoy_scores.csv |
4EFB-NMN | data/4E/4EFB-NMN/4EFB-NMN_ligand.pdbqt | data/4E/4EFB-NMN/4EFB-NMN_target.pdbqt | data/4E/4EFB-NMN/4EFB-NMN_decoys.pdbqt | data/4E/4EFB-NMN/4EFB-NMN_decoy_scores.csv |
4E6T-FLC | data/4E/4E6T-FLC/4E6T-FLC_ligand.pdbqt | data/4E/4E6T-FLC/4E6T-FLC_target.pdbqt | data/4E/4E6T-FLC/4E6T-FLC_decoys.pdbqt | data/4E/4E6T-FLC/4E6T-FLC_decoy_scores.csv |
4EYW-P6G | data/4E/4EYW-P6G/4EYW-P6G_ligand.pdbqt | data/4E/4EYW-P6G/4EYW-P6G_target.pdbqt | data/4E/4EYW-P6G/4EYW-P6G_decoys.pdbqt | data/4E/4EYW-P6G/4EYW-P6G_decoy_scores.csv |
4EMD-C5P | data/4E/4EMD-C5P/4EMD-C5P_ligand.pdbqt | data/4E/4EMD-C5P/4EMD-C5P_target.pdbqt | data/4E/4EMD-C5P/4EMD-C5P_decoys.pdbqt | data/4E/4EMD-C5P/4EMD-C5P_decoy_scores.csv |
4EPY-GDP | data/4E/4EPY-GDP/4EPY-GDP_ligand.pdbqt | data/4E/4EPY-GDP/4EPY-GDP_target.pdbqt | data/4E/4EPY-GDP/4EPY-GDP_decoys.pdbqt | data/4E/4EPY-GDP/4EPY-GDP_decoy_scores.csv |
4EXZ-RET | data/4E/4EXZ-RET/4EXZ-RET_ligand.pdbqt | data/4E/4EXZ-RET/4EXZ-RET_target.pdbqt | data/4E/4EXZ-RET/4EXZ-RET_decoys.pdbqt | data/4E/4EXZ-RET/4EXZ-RET_decoy_scores.csv |
4EIN-NOH | data/4E/4EIN-NOH/4EIN-NOH_ligand.pdbqt | data/4E/4EIN-NOH/4EIN-NOH_target.pdbqt | data/4E/4EIN-NOH/4EIN-NOH_decoys.pdbqt | data/4E/4EIN-NOH/4EIN-NOH_decoy_scores.csv |
4ESN-PE4 | data/4E/4ESN-PE4/4ESN-PE4_ligand.pdbqt | data/4E/4ESN-PE4/4ESN-PE4_target.pdbqt | data/4E/4ESN-PE4/4ESN-PE4_decoys.pdbqt | data/4E/4ESN-PE4/4ESN-PE4_decoy_scores.csv |
4E92-0OE | data/4E/4E92-0OE/4E92-0OE_ligand.pdbqt | data/4E/4E92-0OE/4E92-0OE_target.pdbqt | data/4E/4E92-0OE/4E92-0OE_decoys.pdbqt | data/4E/4E92-0OE/4E92-0OE_decoy_scores.csv |
4EWT-PE7 | data/4E/4EWT-PE7/4EWT-PE7_ligand.pdbqt | data/4E/4EWT-PE7/4EWT-PE7_target.pdbqt | data/4E/4EWT-PE7/4EWT-PE7_decoys.pdbqt | data/4E/4EWT-PE7/4EWT-PE7_decoy_scores.csv |
4EPL-JAI | data/4E/4EPL-JAI/4EPL-JAI_ligand.pdbqt | data/4E/4EPL-JAI/4EPL-JAI_target.pdbqt | data/4E/4EPL-JAI/4EPL-JAI_decoys.pdbqt | data/4E/4EPL-JAI/4EPL-JAI_decoy_scores.csv |
4ETJ-PE6 | data/4E/4ETJ-PE6/4ETJ-PE6_ligand.pdbqt | data/4E/4ETJ-PE6/4ETJ-PE6_target.pdbqt | data/4E/4ETJ-PE6/4ETJ-PE6_decoys.pdbqt | data/4E/4ETJ-PE6/4ETJ-PE6_decoy_scores.csv |
4EP9-0RD | data/4E/4EP9-0RD/4EP9-0RD_ligand.pdbqt | data/4E/4EP9-0RD/4EP9-0RD_target.pdbqt | data/4E/4EP9-0RD/4EP9-0RD_decoys.pdbqt | data/4E/4EP9-0RD/4EP9-0RD_decoy_scores.csv |
4E92-0OG | data/4E/4E92-0OG/4E92-0OG_ligand.pdbqt | data/4E/4E92-0OG/4E92-0OG_target.pdbqt | data/4E/4E92-0OG/4E92-0OG_decoys.pdbqt | data/4E/4E92-0OG/4E92-0OG_decoy_scores.csv |
4E02-ANP | data/4E/4E02-ANP/4E02-ANP_ligand.pdbqt | data/4E/4E02-ANP/4E02-ANP_target.pdbqt | data/4E/4E02-ANP/4E02-ANP_decoys.pdbqt | data/4E/4E02-ANP/4E02-ANP_decoy_scores.csv |
4E5D-0NJ | data/4E/4E5D-0NJ/4E5D-0NJ_ligand.pdbqt | data/4E/4E5D-0NJ/4E5D-0NJ_target.pdbqt | data/4E/4E5D-0NJ/4E5D-0NJ_decoys.pdbqt | data/4E/4E5D-0NJ/4E5D-0NJ_decoy_scores.csv |
4E2Z-SAH | data/4E/4E2Z-SAH/4E2Z-SAH_ligand.pdbqt | data/4E/4E2Z-SAH/4E2Z-SAH_target.pdbqt | data/4E/4E2Z-SAH/4E2Z-SAH_decoys.pdbqt | data/4E/4E2Z-SAH/4E2Z-SAH_decoy_scores.csv |
4EAB-JB2 | data/4E/4EAB-JB2/4EAB-JB2_ligand.pdbqt | data/4E/4EAB-JB2/4EAB-JB2_target.pdbqt | data/4E/4EAB-JB2/4EAB-JB2_decoys.pdbqt | data/4E/4EAB-JB2/4EAB-JB2_decoy_scores.csv |
4EFG-RET | data/4E/4EFG-RET/4EFG-RET_ligand.pdbqt | data/4E/4EFG-RET/4EFG-RET_target.pdbqt | data/4E/4EFG-RET/4EFG-RET_decoys.pdbqt | data/4E/4EFG-RET/4EFG-RET_decoy_scores.csv |
4EPQ-0RR | data/4E/4EPQ-0RR/4EPQ-0RR_ligand.pdbqt | data/4E/4EPQ-0RR/4EPQ-0RR_target.pdbqt | data/4E/4EPQ-0RR/4EPQ-0RR_decoys.pdbqt | data/4E/4EPQ-0RR/4EPQ-0RR_decoy_scores.csv |
4EVQ-PHB | data/4E/4EVQ-PHB/4EVQ-PHB_ligand.pdbqt | data/4E/4EVQ-PHB/4EVQ-PHB_target.pdbqt | data/4E/4EVQ-PHB/4EVQ-PHB_decoys.pdbqt | data/4E/4EVQ-PHB/4EVQ-PHB_decoy_scores.csv |
4E6C-0O8 | data/4E/4E6C-0O8/4E6C-0O8_ligand.pdbqt | data/4E/4E6C-0O8/4E6C-0O8_target.pdbqt | data/4E/4E6C-0O8/4E6C-0O8_decoys.pdbqt | data/4E/4E6C-0O8/4E6C-0O8_decoy_scores.csv |
4E03-ADP | data/4E/4E03-ADP/4E03-ADP_ligand.pdbqt | data/4E/4E03-ADP/4E03-ADP_target.pdbqt | data/4E/4E03-ADP/4E03-ADP_decoys.pdbqt | data/4E/4E03-ADP/4E03-ADP_decoy_scores.csv |
4EVI-SAH | data/4E/4EVI-SAH/4EVI-SAH_ligand.pdbqt | data/4E/4EVI-SAH/4EVI-SAH_target.pdbqt | data/4E/4EVI-SAH/4EVI-SAH_decoys.pdbqt | data/4E/4EVI-SAH/4EVI-SAH_decoy_scores.csv |
4E1T-OLC | data/4E/4E1T-OLC/4E1T-OLC_ligand.pdbqt | data/4E/4E1T-OLC/4E1T-OLC_target.pdbqt | data/4E/4E1T-OLC/4E1T-OLC_decoys.pdbqt | data/4E/4E1T-OLC/4E1T-OLC_decoy_scores.csv |
4ELH-53I | data/4E/4ELH-53I/4ELH-53I_ligand.pdbqt | data/4E/4ELH-53I/4ELH-53I_target.pdbqt | data/4E/4ELH-53I/4ELH-53I_decoys.pdbqt | data/4E/4ELH-53I/4ELH-53I_decoy_scores.csv |
4EKY-D1J | data/4E/4EKY-D1J/4EKY-D1J_ligand.pdbqt | data/4E/4EKY-D1J/4EKY-D1J_target.pdbqt | data/4E/4EKY-D1J/4EKY-D1J_decoys.pdbqt | data/4E/4EKY-D1J/4EKY-D1J_decoy_scores.csv |
4EP7-UTP | data/4E/4EP7-UTP/4EP7-UTP_ligand.pdbqt | data/4E/4EP7-UTP/4EP7-UTP_target.pdbqt | data/4E/4EP7-UTP/4EP7-UTP_decoys.pdbqt | data/4E/4EP7-UTP/4EP7-UTP_decoy_scores.csv |
4EH5-0OM | data/4E/4EH5-0OM/4EH5-0OM_ligand.pdbqt | data/4E/4EH5-0OM/4EH5-0OM_target.pdbqt | data/4E/4EH5-0OM/4EH5-0OM_decoys.pdbqt | data/4E/4EH5-0OM/4EH5-0OM_decoy_scores.csv |
4EIY-OLB | data/4E/4EIY-OLB/4EIY-OLB_ligand.pdbqt | data/4E/4EIY-OLB/4EIY-OLB_target.pdbqt | data/4E/4EIY-OLB/4EIY-OLB_decoys.pdbqt | data/4E/4EIY-OLB/4EIY-OLB_decoy_scores.csv |
4EUX-HW1 | data/4E/4EUX-HW1/4EUX-HW1_ligand.pdbqt | data/4E/4EUX-HW1/4EUX-HW1_target.pdbqt | data/4E/4EUX-HW1/4EUX-HW1_decoys.pdbqt | data/4E/4EUX-HW1/4EUX-HW1_decoy_scores.csv |
4EKV-BTN | data/4E/4EKV-BTN/4EKV-BTN_ligand.pdbqt | data/4E/4EKV-BTN/4EKV-BTN_target.pdbqt | data/4E/4EKV-BTN/4EKV-BTN_decoys.pdbqt | data/4E/4EKV-BTN/4EKV-BTN_decoy_scores.csv |
4EQ4-SAL | data/4E/4EQ4-SAL/4EQ4-SAL_ligand.pdbqt | data/4E/4EQ4-SAL/4EQ4-SAL_target.pdbqt | data/4E/4EQ4-SAL/4EQ4-SAL_decoys.pdbqt | data/4E/4EQ4-SAL/4EQ4-SAL_decoy_scores.csv |
4ESI-0RB | data/4E/4ESI-0RB/4ESI-0RB_ligand.pdbqt | data/4E/4ESI-0RB/4ESI-0RB_target.pdbqt | data/4E/4ESI-0RB/4ESI-0RB_decoys.pdbqt | data/4E/4ESI-0RB/4ESI-0RB_decoy_scores.csv |
4E5N-NAD | data/4E/4E5N-NAD/4E5N-NAD_ligand.pdbqt | data/4E/4E5N-NAD/4E5N-NAD_target.pdbqt | data/4E/4E5N-NAD/4E5N-NAD_decoys.pdbqt | data/4E/4E5N-NAD/4E5N-NAD_decoy_scores.csv |
4EHI-BTB | data/4E/4EHI-BTB/4EHI-BTB_ligand.pdbqt | data/4E/4EHI-BTB/4EHI-BTB_target.pdbqt | data/4E/4EHI-BTB/4EHI-BTB_decoys.pdbqt | data/4E/4EHI-BTB/4EHI-BTB_decoy_scores.csv |
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