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 ⌀ |
|---|---|---|---|---|
1E4E-ADP | data/1E/1E4E-ADP/1E4E-ADP_ligand.pdbqt | data/1E/1E4E-ADP/1E4E-ADP_target.pdbqt | data/1E/1E4E-ADP/1E4E-ADP_decoys.pdbqt | data/1E/1E4E-ADP/1E4E-ADP_decoy_scores.csv |
1EV4-GTS | data/1E/1EV4-GTS/1EV4-GTS_ligand.pdbqt | data/1E/1EV4-GTS/1EV4-GTS_target.pdbqt | data/1E/1EV4-GTS/1EV4-GTS_decoys.pdbqt | data/1E/1EV4-GTS/1EV4-GTS_decoy_scores.csv |
1EP4-S11 | data/1E/1EP4-S11/1EP4-S11_ligand.pdbqt | data/1E/1EP4-S11/1EP4-S11_target.pdbqt | data/1E/1EP4-S11/1EP4-S11_decoys.pdbqt | data/1E/1EP4-S11/1EP4-S11_decoy_scores.csv |
1E9E-TMP | data/1E/1E9E-TMP/1E9E-TMP_ligand.pdbqt | data/1E/1E9E-TMP/1E9E-TMP_target.pdbqt | data/1E/1E9E-TMP/1E9E-TMP_decoys.pdbqt | data/1E/1E9E-TMP/1E9E-TMP_decoy_scores.csv |
1E82-M90 | data/1E/1E82-M90/1E82-M90_ligand.pdbqt | data/1E/1E82-M90/1E82-M90_target.pdbqt | data/1E/1E82-M90/1E82-M90_decoys.pdbqt | data/1E/1E82-M90/1E82-M90_decoy_scores.csv |
1EC0-BED | data/1E/1EC0-BED/1EC0-BED_ligand.pdbqt | data/1E/1EC0-BED/1EC0-BED_target.pdbqt | data/1E/1EC0-BED/1EC0-BED_decoys.pdbqt | data/1E/1EC0-BED/1EC0-BED_decoy_scores.csv |
1EWP-0I5 | data/1E/1EWP-0I5/1EWP-0I5_ligand.pdbqt | data/1E/1EWP-0I5/1EWP-0I5_target.pdbqt | data/1E/1EWP-0I5/1EWP-0I5_decoys.pdbqt | data/1E/1EWP-0I5/1EWP-0I5_decoy_scores.csv |
1E81-M91 | data/1E/1E81-M91/1E81-M91_ligand.pdbqt | data/1E/1E81-M91/1E81-M91_target.pdbqt | data/1E/1E81-M91/1E81-M91_decoys.pdbqt | data/1E/1E81-M91/1E81-M91_decoy_scores.csv |
1EAS-TFK | data/1E/1EAS-TFK/1EAS-TFK_ligand.pdbqt | data/1E/1EAS-TFK/1EAS-TFK_target.pdbqt | data/1E/1EAS-TFK/1EAS-TFK_decoys.pdbqt | data/1E/1EAS-TFK/1EAS-TFK_decoy_scores.csv |
1EYS-CRT | data/1E/1EYS-CRT/1EYS-CRT_ligand.pdbqt | data/1E/1EYS-CRT/1EYS-CRT_target.pdbqt | data/1E/1EYS-CRT/1EYS-CRT_decoys.pdbqt | data/1E/1EYS-CRT/1EYS-CRT_decoy_scores.csv |
1E7H-PLM | data/1E/1E7H-PLM/1E7H-PLM_ligand.pdbqt | data/1E/1E7H-PLM/1E7H-PLM_target.pdbqt | data/1E/1E7H-PLM/1E7H-PLM_decoys.pdbqt | data/1E/1E7H-PLM/1E7H-PLM_decoy_scores.csv |
1E26-GPB | data/1E/1E26-GPB/1E26-GPB_ligand.pdbqt | data/1E/1E26-GPB/1E26-GPB_target.pdbqt | data/1E/1E26-GPB/1E26-GPB_decoys.pdbqt | data/1E/1E26-GPB/1E26-GPB_decoy_scores.csv |
1E98-ADP | data/1E/1E98-ADP/1E98-ADP_ligand.pdbqt | data/1E/1E98-ADP/1E98-ADP_target.pdbqt | data/1E/1E98-ADP/1E98-ADP_decoys.pdbqt | data/1E/1E98-ADP/1E98-ADP_decoy_scores.csv |
1E12-PLM | data/1E/1E12-PLM/1E12-PLM_ligand.pdbqt | data/1E/1E12-PLM/1E12-PLM_target.pdbqt | data/1E/1E12-PLM/1E12-PLM_decoys.pdbqt | data/1E/1E12-PLM/1E12-PLM_decoy_scores.csv |
1EAT-TFI | data/1E/1EAT-TFI/1EAT-TFI_ligand.pdbqt | data/1E/1EAT-TFI/1EAT-TFI_target.pdbqt | data/1E/1EAT-TFI/1EAT-TFI_decoys.pdbqt | data/1E/1EAT-TFI/1EAT-TFI_decoy_scores.csv |
1EJJ-3PG | data/1E/1EJJ-3PG/1EJJ-3PG_ligand.pdbqt | data/1E/1EJJ-3PG/1EJJ-3PG_target.pdbqt | data/1E/1EJJ-3PG/1EJJ-3PG_decoys.pdbqt | data/1E/1EJJ-3PG/1EJJ-3PG_decoy_scores.csv |
1E8U-SLB | data/1E/1E8U-SLB/1E8U-SLB_ligand.pdbqt | data/1E/1E8U-SLB/1E8U-SLB_target.pdbqt | data/1E/1E8U-SLB/1E8U-SLB_decoys.pdbqt | data/1E/1E8U-SLB/1E8U-SLB_decoy_scores.csv |
1E4I-NFG | data/1E/1E4I-NFG/1E4I-NFG_ligand.pdbqt | data/1E/1E4I-NFG/1E4I-NFG_target.pdbqt | data/1E/1E4I-NFG/1E4I-NFG_decoys.pdbqt | data/1E/1E4I-NFG/1E4I-NFG_decoy_scores.csv |
1E2E-ADP | data/1E/1E2E-ADP/1E2E-ADP_ligand.pdbqt | data/1E/1E2E-ADP/1E2E-ADP_target.pdbqt | null | null |
1EFV-AMP | data/1E/1EFV-AMP/1EFV-AMP_ligand.pdbqt | data/1E/1EFV-AMP/1EFV-AMP_target.pdbqt | data/1E/1EFV-AMP/1EFV-AMP_decoys.pdbqt | data/1E/1EFV-AMP/1EFV-AMP_decoy_scores.csv |
1E48-13P | data/1E/1E48-13P/1E48-13P_ligand.pdbqt | data/1E/1E48-13P/1E48-13P_target.pdbqt | data/1E/1E48-13P/1E48-13P_decoys.pdbqt | data/1E/1E48-13P/1E48-13P_decoy_scores.csv |
1ECC-ONL | data/1E/1ECC-ONL/1ECC-ONL_ligand.pdbqt | data/1E/1ECC-ONL/1ECC-ONL_target.pdbqt | data/1E/1ECC-ONL/1ECC-ONL_decoys.pdbqt | data/1E/1ECC-ONL/1ECC-ONL_decoy_scores.csv |
1ENU-APZ | data/1E/1ENU-APZ/1ENU-APZ_ligand.pdbqt | data/1E/1ENU-APZ/1ENU-APZ_target.pdbqt | data/1E/1ENU-APZ/1ENU-APZ_decoys.pdbqt | data/1E/1ENU-APZ/1ENU-APZ_decoy_scores.csv |
1E5Q-SHR | data/1E/1E5Q-SHR/1E5Q-SHR_ligand.pdbqt | data/1E/1E5Q-SHR/1E5Q-SHR_target.pdbqt | data/1E/1E5Q-SHR/1E5Q-SHR_decoys.pdbqt | data/1E/1E5Q-SHR/1E5Q-SHR_decoy_scores.csv |
1E0S-GDP | data/1E/1E0S-GDP/1E0S-GDP_ligand.pdbqt | data/1E/1E0S-GDP/1E0S-GDP_target.pdbqt | data/1E/1E0S-GDP/1E0S-GDP_decoys.pdbqt | data/1E/1E0S-GDP/1E0S-GDP_decoy_scores.csv |
1EGY-9AP | data/1E/1EGY-9AP/1EGY-9AP_ligand.pdbqt | data/1E/1EGY-9AP/1EGY-9AP_target.pdbqt | data/1E/1EGY-9AP/1EGY-9AP_decoys.pdbqt | data/1E/1EGY-9AP/1EGY-9AP_decoy_scores.csv |
1E9B-ANP | data/1E/1E9B-ANP/1E9B-ANP_ligand.pdbqt | data/1E/1E9B-ANP/1E9B-ANP_target.pdbqt | data/1E/1E9B-ANP/1E9B-ANP_decoys.pdbqt | data/1E/1E9B-ANP/1E9B-ANP_decoy_scores.csv |
1EAM-SAH | data/1E/1EAM-SAH/1EAM-SAH_ligand.pdbqt | data/1E/1EAM-SAH/1EAM-SAH_target.pdbqt | data/1E/1EAM-SAH/1EAM-SAH_decoys.pdbqt | data/1E/1EAM-SAH/1EAM-SAH_decoy_scores.csv |
1ENY-NAD | data/1E/1ENY-NAD/1ENY-NAD_ligand.pdbqt | data/1E/1ENY-NAD/1ENY-NAD_target.pdbqt | data/1E/1ENY-NAD/1ENY-NAD_decoys.pdbqt | data/1E/1ENY-NAD/1ENY-NAD_decoy_scores.csv |
1E4I-G2F | data/1E/1E4I-G2F/1E4I-G2F_ligand.pdbqt | data/1E/1E4I-G2F/1E4I-G2F_target.pdbqt | data/1E/1E4I-G2F/1E4I-G2F_decoys.pdbqt | data/1E/1E4I-G2F/1E4I-G2F_decoy_scores.csv |
1ELC-0Z3 | data/1E/1ELC-0Z3/1ELC-0Z3_ligand.pdbqt | data/1E/1ELC-0Z3/1ELC-0Z3_target.pdbqt | data/1E/1ELC-0Z3/1ELC-0Z3_decoys.pdbqt | data/1E/1ELC-0Z3/1ELC-0Z3_decoy_scores.csv |
1E7W-MTX | data/1E/1E7W-MTX/1E7W-MTX_ligand.pdbqt | data/1E/1E7W-MTX/1E7W-MTX_target.pdbqt | data/1E/1E7W-MTX/1E7W-MTX_decoys.pdbqt | data/1E/1E7W-MTX/1E7W-MTX_decoy_scores.csv |
1EB3-DSB | data/1E/1EB3-DSB/1EB3-DSB_ligand.pdbqt | data/1E/1EB3-DSB/1EB3-DSB_target.pdbqt | data/1E/1EB3-DSB/1EB3-DSB_decoys.pdbqt | data/1E/1EB3-DSB/1EB3-DSB_decoy_scores.csv |
1EBW-BEI | data/1E/1EBW-BEI/1EBW-BEI_ligand.pdbqt | data/1E/1EBW-BEI/1EBW-BEI_target.pdbqt | data/1E/1EBW-BEI/1EBW-BEI_decoys.pdbqt | data/1E/1EBW-BEI/1EBW-BEI_decoy_scores.csv |
1E3V-DXC | data/1E/1E3V-DXC/1E3V-DXC_ligand.pdbqt | data/1E/1E3V-DXC/1E3V-DXC_target.pdbqt | data/1E/1E3V-DXC/1E3V-DXC_decoys.pdbqt | data/1E/1E3V-DXC/1E3V-DXC_decoy_scores.csv |
1E6Y-TP7 | data/1E/1E6Y-TP7/1E6Y-TP7_ligand.pdbqt | data/1E/1E6Y-TP7/1E6Y-TP7_target.pdbqt | data/1E/1E6Y-TP7/1E6Y-TP7_decoys.pdbqt | data/1E/1E6Y-TP7/1E6Y-TP7_decoy_scores.csv |
1E9X-PIM | data/1E/1E9X-PIM/1E9X-PIM_ligand.pdbqt | data/1E/1E9X-PIM/1E9X-PIM_target.pdbqt | data/1E/1E9X-PIM/1E9X-PIM_decoys.pdbqt | data/1E/1E9X-PIM/1E9X-PIM_decoy_scores.csv |
1E8X-ATP | data/1E/1E8X-ATP/1E8X-ATP_ligand.pdbqt | data/1E/1E8X-ATP/1E8X-ATP_target.pdbqt | null | null |
1E9F-TMP | data/1E/1E9F-TMP/1E9F-TMP_ligand.pdbqt | data/1E/1E9F-TMP/1E9F-TMP_target.pdbqt | data/1E/1E9F-TMP/1E9F-TMP_decoys.pdbqt | data/1E/1E9F-TMP/1E9F-TMP_decoy_scores.csv |
1EPP-1Z1 | data/1E/1EPP-1Z1/1EPP-1Z1_ligand.pdbqt | data/1E/1EPP-1Z1/1EPP-1Z1_target.pdbqt | data/1E/1EPP-1Z1/1EPP-1Z1_decoys.pdbqt | data/1E/1EPP-1Z1/1EPP-1Z1_decoy_scores.csv |
1EJ1-M7G | data/1E/1EJ1-M7G/1EJ1-M7G_ligand.pdbqt | data/1E/1EJ1-M7G/1EJ1-M7G_target.pdbqt | data/1E/1EJ1-M7G/1EJ1-M7G_decoys.pdbqt | data/1E/1EJ1-M7G/1EJ1-M7G_decoy_scores.csv |
1EE1-DND | data/1E/1EE1-DND/1EE1-DND_ligand.pdbqt | data/1E/1EE1-DND/1EE1-DND_target.pdbqt | data/1E/1EE1-DND/1EE1-DND_decoys.pdbqt | data/1E/1EE1-DND/1EE1-DND_decoy_scores.csv |
1E7U-KWT | data/1E/1E7U-KWT/1E7U-KWT_ligand.pdbqt | data/1E/1E7U-KWT/1E7U-KWT_target.pdbqt | data/1E/1E7U-KWT/1E7U-KWT_decoys.pdbqt | data/1E/1E7U-KWT/1E7U-KWT_decoy_scores.csv |
1ENC-THP | data/1E/1ENC-THP/1ENC-THP_ligand.pdbqt | data/1E/1ENC-THP/1ENC-THP_target.pdbqt | data/1E/1ENC-THP/1ENC-THP_decoys.pdbqt | data/1E/1ENC-THP/1ENC-THP_decoy_scores.csv |
1EL3-I84 | data/1E/1EL3-I84/1EL3-I84_ligand.pdbqt | data/1E/1EL3-I84/1EL3-I84_target.pdbqt | data/1E/1EL3-I84/1EL3-I84_decoys.pdbqt | data/1E/1EL3-I84/1EL3-I84_decoy_scores.csv |
1EOW-U2G | data/1E/1EOW-U2G/1EOW-U2G_ligand.pdbqt | data/1E/1EOW-U2G/1EOW-U2G_target.pdbqt | data/1E/1EOW-U2G/1EOW-U2G_decoys.pdbqt | data/1E/1EOW-U2G/1EOW-U2G_decoy_scores.csv |
1EK5-NAD | data/1E/1EK5-NAD/1EK5-NAD_ligand.pdbqt | data/1E/1EK5-NAD/1EK5-NAD_target.pdbqt | data/1E/1EK5-NAD/1EK5-NAD_decoys.pdbqt | data/1E/1EK5-NAD/1EK5-NAD_decoy_scores.csv |
1EYW-TEN | data/1E/1EYW-TEN/1EYW-TEN_ligand.pdbqt | data/1E/1EYW-TEN/1EYW-TEN_target.pdbqt | data/1E/1EYW-TEN/1EYW-TEN_decoys.pdbqt | data/1E/1EYW-TEN/1EYW-TEN_decoy_scores.csv |
1ECM-TSA | data/1E/1ECM-TSA/1ECM-TSA_ligand.pdbqt | data/1E/1ECM-TSA/1ECM-TSA_target.pdbqt | data/1E/1ECM-TSA/1ECM-TSA_decoys.pdbqt | data/1E/1ECM-TSA/1ECM-TSA_decoy_scores.csv |
1ELU-PDA | data/1E/1ELU-PDA/1ELU-PDA_ligand.pdbqt | data/1E/1ELU-PDA/1ELU-PDA_target.pdbqt | data/1E/1ELU-PDA/1ELU-PDA_decoys.pdbqt | data/1E/1ELU-PDA/1ELU-PDA_decoy_scores.csv |
1EED-0EO | data/1E/1EED-0EO/1EED-0EO_ligand.pdbqt | data/1E/1EED-0EO/1EED-0EO_target.pdbqt | data/1E/1EED-0EO/1EED-0EO_decoys.pdbqt | data/1E/1EED-0EO/1EED-0EO_decoy_scores.csv |
1E24-ATP | data/1E/1E24-ATP/1E24-ATP_ligand.pdbqt | data/1E/1E24-ATP/1E24-ATP_target.pdbqt | data/1E/1E24-ATP/1E24-ATP_decoys.pdbqt | data/1E/1E24-ATP/1E24-ATP_decoy_scores.csv |
1EPQ-0QF | data/1E/1EPQ-0QF/1EPQ-0QF_ligand.pdbqt | data/1E/1EPQ-0QF/1EPQ-0QF_target.pdbqt | data/1E/1EPQ-0QF/1EPQ-0QF_decoys.pdbqt | data/1E/1EPQ-0QF/1EPQ-0QF_decoy_scores.csv |
1ETS-MID | data/1E/1ETS-MID/1ETS-MID_ligand.pdbqt | data/1E/1ETS-MID/1ETS-MID_target.pdbqt | data/1E/1ETS-MID/1ETS-MID_decoys.pdbqt | data/1E/1ETS-MID/1ETS-MID_decoy_scores.csv |
1E34-TPX | data/1E/1E34-TPX/1E34-TPX_ligand.pdbqt | data/1E/1E34-TPX/1E34-TPX_target.pdbqt | data/1E/1E34-TPX/1E34-TPX_decoys.pdbqt | data/1E/1E34-TPX/1E34-TPX_decoy_scores.csv |
1EAP-HEP | data/1E/1EAP-HEP/1EAP-HEP_ligand.pdbqt | data/1E/1EAP-HEP/1EAP-HEP_target.pdbqt | data/1E/1EAP-HEP/1EAP-HEP_decoys.pdbqt | data/1E/1EAP-HEP/1EAP-HEP_decoy_scores.csv |
1EL4-CTZ | data/1E/1EL4-CTZ/1EL4-CTZ_ligand.pdbqt | data/1E/1EL4-CTZ/1EL4-CTZ_target.pdbqt | data/1E/1EL4-CTZ/1EL4-CTZ_decoys.pdbqt | data/1E/1EL4-CTZ/1EL4-CTZ_decoy_scores.csv |
1E1T-LAD | data/1E/1E1T-LAD/1E1T-LAD_ligand.pdbqt | data/1E/1E1T-LAD/1E1T-LAD_target.pdbqt | data/1E/1E1T-LAD/1E1T-LAD_decoys.pdbqt | data/1E/1E1T-LAD/1E1T-LAD_decoy_scores.csv |
1EZ1-ANP | data/1E/1EZ1-ANP/1EZ1-ANP_ligand.pdbqt | data/1E/1EZ1-ANP/1EZ1-ANP_target.pdbqt | data/1E/1EZ1-ANP/1EZ1-ANP_decoys.pdbqt | data/1E/1EZ1-ANP/1EZ1-ANP_decoy_scores.csv |
1EYZ-MPO | data/1E/1EYZ-MPO/1EYZ-MPO_ligand.pdbqt | data/1E/1EYZ-MPO/1EYZ-MPO_target.pdbqt | data/1E/1EYZ-MPO/1EYZ-MPO_decoys.pdbqt | data/1E/1EYZ-MPO/1EYZ-MPO_decoy_scores.csv |
1EQ9-PMS | data/1E/1EQ9-PMS/1EQ9-PMS_ligand.pdbqt | data/1E/1EQ9-PMS/1EQ9-PMS_target.pdbqt | data/1E/1EQ9-PMS/1EQ9-PMS_decoys.pdbqt | data/1E/1EQ9-PMS/1EQ9-PMS_decoy_scores.csv |
1EYJ-AMP | data/1E/1EYJ-AMP/1EYJ-AMP_ligand.pdbqt | data/1E/1EYJ-AMP/1EYJ-AMP_target.pdbqt | data/1E/1EYJ-AMP/1EYJ-AMP_decoys.pdbqt | data/1E/1EYJ-AMP/1EYJ-AMP_decoy_scores.csv |
1EFY-BZC | data/1E/1EFY-BZC/1EFY-BZC_ligand.pdbqt | data/1E/1EFY-BZC/1EFY-BZC_target.pdbqt | data/1E/1EFY-BZC/1EFY-BZC_decoys.pdbqt | data/1E/1EFY-BZC/1EFY-BZC_decoy_scores.csv |
1E56-HBO | data/1E/1E56-HBO/1E56-HBO_ligand.pdbqt | data/1E/1E56-HBO/1E56-HBO_target.pdbqt | data/1E/1E56-HBO/1E56-HBO_decoys.pdbqt | data/1E/1E56-HBO/1E56-HBO_decoy_scores.csv |
1EFC-GDP | data/1E/1EFC-GDP/1EFC-GDP_ligand.pdbqt | data/1E/1EFC-GDP/1EFC-GDP_target.pdbqt | data/1E/1EFC-GDP/1EFC-GDP_decoys.pdbqt | data/1E/1EFC-GDP/1EFC-GDP_decoy_scores.csv |
1EYX-CYC | data/1E/1EYX-CYC/1EYX-CYC_ligand.pdbqt | data/1E/1EYX-CYC/1EYX-CYC_target.pdbqt | data/1E/1EYX-CYC/1EYX-CYC_decoys.pdbqt | data/1E/1EYX-CYC/1EYX-CYC_decoy_scores.csv |
1E99-ATM | data/1E/1E99-ATM/1E99-ATM_ligand.pdbqt | data/1E/1E99-ATM/1E99-ATM_target.pdbqt | data/1E/1E99-ATM/1E99-ATM_decoys.pdbqt | data/1E/1E99-ATM/1E99-ATM_decoy_scores.csv |
1EFZ-PRF | data/1E/1EFZ-PRF/1EFZ-PRF_ligand.pdbqt | data/1E/1EFZ-PRF/1EFZ-PRF_target.pdbqt | data/1E/1EFZ-PRF/1EFZ-PRF_decoys.pdbqt | data/1E/1EFZ-PRF/1EFZ-PRF_decoy_scores.csv |
1EK6-NAI | data/1E/1EK6-NAI/1EK6-NAI_ligand.pdbqt | data/1E/1EK6-NAI/1EK6-NAI_target.pdbqt | data/1E/1EK6-NAI/1EK6-NAI_decoys.pdbqt | data/1E/1EK6-NAI/1EK6-NAI_decoy_scores.csv |
1EPN-2ZS | data/1E/1EPN-2ZS/1EPN-2ZS_ligand.pdbqt | data/1E/1EPN-2ZS/1EPN-2ZS_target.pdbqt | data/1E/1EPN-2ZS/1EPN-2ZS_decoys.pdbqt | data/1E/1EPN-2ZS/1EPN-2ZS_decoy_scores.csv |
1EEF-GLA | data/1E/1EEF-GLA/1EEF-GLA_ligand.pdbqt | data/1E/1EEF-GLA/1EEF-GLA_target.pdbqt | data/1E/1EEF-GLA/1EEF-GLA_decoys.pdbqt | data/1E/1EEF-GLA/1EEF-GLA_decoy_scores.csv |
1E2L-TMC | data/1E/1E2L-TMC/1E2L-TMC_ligand.pdbqt | data/1E/1E2L-TMC/1E2L-TMC_target.pdbqt | data/1E/1E2L-TMC/1E2L-TMC_decoys.pdbqt | data/1E/1E2L-TMC/1E2L-TMC_decoy_scores.csv |
1E2F-TMP | data/1E/1E2F-TMP/1E2F-TMP_ligand.pdbqt | data/1E/1E2F-TMP/1E2F-TMP_target.pdbqt | data/1E/1E2F-TMP/1E2F-TMP_decoys.pdbqt | data/1E/1E2F-TMP/1E2F-TMP_decoy_scores.csv |
1E9L-GCS | data/1E/1E9L-GCS/1E9L-GCS_ligand.pdbqt | data/1E/1E9L-GCS/1E9L-GCS_target.pdbqt | data/1E/1E9L-GCS/1E9L-GCS_decoys.pdbqt | data/1E/1E9L-GCS/1E9L-GCS_decoy_scores.csv |
1E00-DHM | data/1E/1E00-DHM/1E00-DHM_ligand.pdbqt | data/1E/1E00-DHM/1E00-DHM_target.pdbqt | data/1E/1E00-DHM/1E00-DHM_decoys.pdbqt | data/1E/1E00-DHM/1E00-DHM_decoy_scores.csv |
1E5E-PPJ | data/1E/1E5E-PPJ/1E5E-PPJ_ligand.pdbqt | data/1E/1E5E-PPJ/1E5E-PPJ_target.pdbqt | data/1E/1E5E-PPJ/1E5E-PPJ_decoys.pdbqt | data/1E/1E5E-PPJ/1E5E-PPJ_decoy_scores.csv |
1EX7-5GP | data/1E/1EX7-5GP/1EX7-5GP_ligand.pdbqt | data/1E/1EX7-5GP/1EX7-5GP_target.pdbqt | data/1E/1EX7-5GP/1EX7-5GP_decoys.pdbqt | data/1E/1EX7-5GP/1EX7-5GP_decoy_scores.csv |
1E7Y-BG6 | data/1E/1E7Y-BG6/1E7Y-BG6_ligand.pdbqt | data/1E/1E7Y-BG6/1E7Y-BG6_target.pdbqt | data/1E/1E7Y-BG6/1E7Y-BG6_decoys.pdbqt | data/1E/1E7Y-BG6/1E7Y-BG6_decoy_scores.csv |
1EQA-SAH | data/1E/1EQA-SAH/1EQA-SAH_ligand.pdbqt | data/1E/1EQA-SAH/1EQA-SAH_target.pdbqt | data/1E/1EQA-SAH/1EQA-SAH_decoys.pdbqt | data/1E/1EQA-SAH/1EQA-SAH_decoy_scores.csv |
1EK8-DEM | data/1E/1EK8-DEM/1EK8-DEM_ligand.pdbqt | data/1E/1EK8-DEM/1EK8-DEM_target.pdbqt | data/1E/1EK8-DEM/1EK8-DEM_decoys.pdbqt | data/1E/1EK8-DEM/1EK8-DEM_decoy_scores.csv |
1EYI-F6P | data/1E/1EYI-F6P/1EYI-F6P_ligand.pdbqt | data/1E/1EYI-F6P/1EYI-F6P_target.pdbqt | data/1E/1EYI-F6P/1EYI-F6P_decoys.pdbqt | data/1E/1EYI-F6P/1EYI-F6P_decoy_scores.csv |
1E1Y-CPB | data/1E/1E1Y-CPB/1E1Y-CPB_ligand.pdbqt | data/1E/1E1Y-CPB/1E1Y-CPB_target.pdbqt | data/1E/1E1Y-CPB/1E1Y-CPB_decoys.pdbqt | data/1E/1E1Y-CPB/1E1Y-CPB_decoy_scores.csv |
1EVL-TSB | data/1E/1EVL-TSB/1EVL-TSB_ligand.pdbqt | data/1E/1EVL-TSB/1EVL-TSB_target.pdbqt | data/1E/1EVL-TSB/1EVL-TSB_decoys.pdbqt | data/1E/1EVL-TSB/1EVL-TSB_decoy_scores.csv |
1ECV-878 | data/1E/1ECV-878/1ECV-878_ligand.pdbqt | data/1E/1ECV-878/1ECV-878_target.pdbqt | data/1E/1ECV-878/1ECV-878_decoys.pdbqt | data/1E/1ECV-878/1ECV-878_decoy_scores.csv |
1E0B-1PG | data/1E/1E0B-1PG/1E0B-1PG_ligand.pdbqt | data/1E/1E0B-1PG/1E0B-1PG_target.pdbqt | data/1E/1E0B-1PG/1E0B-1PG_decoys.pdbqt | data/1E/1E0B-1PG/1E0B-1PG_decoy_scores.csv |
1EYJ-F6P | data/1E/1EYJ-F6P/1EYJ-F6P_ligand.pdbqt | data/1E/1EYJ-F6P/1EYJ-F6P_target.pdbqt | data/1E/1EYJ-F6P/1EYJ-F6P_decoys.pdbqt | data/1E/1EYJ-F6P/1EYJ-F6P_decoy_scores.csv |
1EQ2-ADQ | data/1E/1EQ2-ADQ/1EQ2-ADQ_ligand.pdbqt | data/1E/1EQ2-ADQ/1EQ2-ADQ_target.pdbqt | data/1E/1EQ2-ADQ/1EQ2-ADQ_decoys.pdbqt | data/1E/1EQ2-ADQ/1EQ2-ADQ_decoy_scores.csv |
1EM6-CP4 | data/1E/1EM6-CP4/1EM6-CP4_ligand.pdbqt | data/1E/1EM6-CP4/1EM6-CP4_target.pdbqt | data/1E/1EM6-CP4/1EM6-CP4_decoys.pdbqt | data/1E/1EM6-CP4/1EM6-CP4_decoy_scores.csv |
1EE2-NAD | data/1E/1EE2-NAD/1EE2-NAD_ligand.pdbqt | data/1E/1EE2-NAD/1EE2-NAD_target.pdbqt | data/1E/1EE2-NAD/1EE2-NAD_decoys.pdbqt | data/1E/1EE2-NAD/1EE2-NAD_decoy_scores.csv |
1ELA-0Z1 | data/1E/1ELA-0Z1/1ELA-0Z1_ligand.pdbqt | data/1E/1ELA-0Z1/1ELA-0Z1_target.pdbqt | data/1E/1ELA-0Z1/1ELA-0Z1_decoys.pdbqt | data/1E/1ELA-0Z1/1ELA-0Z1_decoy_scores.csv |
1E9C-ADP | data/1E/1E9C-ADP/1E9C-ADP_ligand.pdbqt | data/1E/1E9C-ADP/1E9C-ADP_target.pdbqt | data/1E/1E9C-ADP/1E9C-ADP_decoys.pdbqt | data/1E/1E9C-ADP/1E9C-ADP_decoy_scores.csv |
1EYK-F6P | data/1E/1EYK-F6P/1EYK-F6P_ligand.pdbqt | data/1E/1EYK-F6P/1EYK-F6P_target.pdbqt | data/1E/1EYK-F6P/1EYK-F6P_decoys.pdbqt | data/1E/1EYK-F6P/1EYK-F6P_decoy_scores.csv |
1EFI-GAT | data/1E/1EFI-GAT/1EFI-GAT_ligand.pdbqt | data/1E/1EFI-GAT/1EFI-GAT_target.pdbqt | data/1E/1EFI-GAT/1EFI-GAT_decoys.pdbqt | data/1E/1EFI-GAT/1EFI-GAT_decoy_scores.csv |
1EK4-DAO | data/1E/1EK4-DAO/1EK4-DAO_ligand.pdbqt | data/1E/1EK4-DAO/1EK4-DAO_target.pdbqt | data/1E/1EK4-DAO/1EK4-DAO_decoys.pdbqt | data/1E/1EK4-DAO/1EK4-DAO_decoy_scores.csv |
1EYS-BGL | data/1E/1EYS-BGL/1EYS-BGL_ligand.pdbqt | data/1E/1EYS-BGL/1EYS-BGL_target.pdbqt | data/1E/1EYS-BGL/1EYS-BGL_decoys.pdbqt | data/1E/1EYS-BGL/1EYS-BGL_decoy_scores.csv |
1EHI-ADP | data/1E/1EHI-ADP/1EHI-ADP_ligand.pdbqt | data/1E/1EHI-ADP/1EHI-ADP_target.pdbqt | data/1E/1EHI-ADP/1EHI-ADP_decoys.pdbqt | data/1E/1EHI-ADP/1EHI-ADP_decoy_scores.csv |
1E22-ACP | data/1E/1E22-ACP/1E22-ACP_ligand.pdbqt | data/1E/1E22-ACP/1E22-ACP_target.pdbqt | data/1E/1E22-ACP/1E22-ACP_decoys.pdbqt | data/1E/1E22-ACP/1E22-ACP_decoy_scores.csv |
1EBY-BEB | data/1E/1EBY-BEB/1EBY-BEB_ligand.pdbqt | data/1E/1EBY-BEB/1EBY-BEB_target.pdbqt | data/1E/1EBY-BEB/1EBY-BEB_decoys.pdbqt | data/1E/1EBY-BEB/1EBY-BEB_decoy_scores.csv |
1EE2-CHD | data/1E/1EE2-CHD/1EE2-CHD_ligand.pdbqt | data/1E/1EE2-CHD/1EE2-CHD_target.pdbqt | data/1E/1EE2-CHD/1EE2-CHD_decoys.pdbqt | data/1E/1EE2-CHD/1EE2-CHD_decoy_scores.csv |
1E12-RET | data/1E/1E12-RET/1E12-RET_ligand.pdbqt | data/1E/1E12-RET/1E12-RET_target.pdbqt | data/1E/1E12-RET/1E12-RET_decoys.pdbqt | data/1E/1E12-RET/1E12-RET_decoy_scores.csv |
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