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 ⌀ |
|---|---|---|---|---|
7W8W-DST | data/7W/7W8W-DST/7W8W-DST_ligand.pdbqt | data/7W/7W8W-DST/7W8W-DST_target.pdbqt | data/7W/7W8W-DST/7W8W-DST_decoys.pdbqt | data/7W/7W8W-DST/7W8W-DST_decoy_scores.csv |
7WYM-G7L | data/7W/7WYM-G7L/7WYM-G7L_ligand.pdbqt | data/7W/7WYM-G7L/7WYM-G7L_target.pdbqt | data/7W/7WYM-G7L/7WYM-G7L_decoys.pdbqt | data/7W/7WYM-G7L/7WYM-G7L_decoy_scores.csv |
7W0G-85B | data/7W/7W0G-85B/7W0G-85B_ligand.pdbqt | data/7W/7W0G-85B/7W0G-85B_target.pdbqt | data/7W/7W0G-85B/7W0G-85B_decoys.pdbqt | data/7W/7W0G-85B/7W0G-85B_decoy_scores.csv |
7W5I-FPP | data/7W/7W5I-FPP/7W5I-FPP_ligand.pdbqt | data/7W/7W5I-FPP/7W5I-FPP_target.pdbqt | data/7W/7W5I-FPP/7W5I-FPP_decoys.pdbqt | data/7W/7W5I-FPP/7W5I-FPP_decoy_scores.csv |
7WO3-59S | data/7W/7WO3-59S/7WO3-59S_ligand.pdbqt | data/7W/7WO3-59S/7WO3-59S_target.pdbqt | data/7W/7WO3-59S/7WO3-59S_decoys.pdbqt | data/7W/7WO3-59S/7WO3-59S_decoy_scores.csv |
7WZA-GDP | data/7W/7WZA-GDP/7WZA-GDP_ligand.pdbqt | data/7W/7WZA-GDP/7WZA-GDP_target.pdbqt | data/7W/7WZA-GDP/7WZA-GDP_decoys.pdbqt | data/7W/7WZA-GDP/7WZA-GDP_decoy_scores.csv |
7WZM-OLA | data/7W/7WZM-OLA/7WZM-OLA_ligand.pdbqt | data/7W/7WZM-OLA/7WZM-OLA_target.pdbqt | data/7W/7WZM-OLA/7WZM-OLA_decoys.pdbqt | data/7W/7WZM-OLA/7WZM-OLA_decoy_scores.csv |
7WC9-OLC | data/7W/7WC9-OLC/7WC9-OLC_ligand.pdbqt | data/7W/7WC9-OLC/7WC9-OLC_target.pdbqt | data/7W/7WC9-OLC/7WC9-OLC_decoys.pdbqt | data/7W/7WC9-OLC/7WC9-OLC_decoy_scores.csv |
7W9W-PLM | data/7W/7W9W-PLM/7W9W-PLM_ligand.pdbqt | data/7W/7W9W-PLM/7W9W-PLM_target.pdbqt | data/7W/7W9W-PLM/7W9W-PLM_decoys.pdbqt | data/7W/7W9W-PLM/7W9W-PLM_decoy_scores.csv |
7WYG-PAM | data/7W/7WYG-PAM/7WYG-PAM_ligand.pdbqt | data/7W/7WYG-PAM/7WYG-PAM_target.pdbqt | data/7W/7WYG-PAM/7WYG-PAM_decoys.pdbqt | data/7W/7WYG-PAM/7WYG-PAM_decoy_scores.csv |
7WW5-8DG | data/7W/7WW5-8DG/7WW5-8DG_ligand.pdbqt | data/7W/7WW5-8DG/7WW5-8DG_target.pdbqt | data/7W/7WW5-8DG/7WW5-8DG_decoys.pdbqt | data/7W/7WW5-8DG/7WW5-8DG_decoy_scores.csv |
7WY1-SOR | data/7W/7WY1-SOR/7WY1-SOR_ligand.pdbqt | data/7W/7WY1-SOR/7WY1-SOR_target.pdbqt | null | null |
7W5J-FPP | data/7W/7W5J-FPP/7W5J-FPP_ligand.pdbqt | data/7W/7W5J-FPP/7W5J-FPP_target.pdbqt | data/7W/7W5J-FPP/7W5J-FPP_decoys.pdbqt | data/7W/7W5J-FPP/7W5J-FPP_decoy_scores.csv |
7WLF-PLM | data/7W/7WLF-PLM/7WLF-PLM_ligand.pdbqt | data/7W/7WLF-PLM/7WLF-PLM_target.pdbqt | data/7W/7WLF-PLM/7WLF-PLM_decoys.pdbqt | data/7W/7WLF-PLM/7WLF-PLM_decoy_scores.csv |
7WCX-90F | data/7W/7WCX-90F/7WCX-90F_ligand.pdbqt | data/7W/7WCX-90F/7WCX-90F_target.pdbqt | data/7W/7WCX-90F/7WCX-90F_decoys.pdbqt | data/7W/7WCX-90F/7WCX-90F_decoy_scores.csv |
4O76-1M3 | data/4O/4O76-1M3/4O76-1M3_ligand.pdbqt | data/4O/4O76-1M3/4O76-1M3_target.pdbqt | data/4O/4O76-1M3/4O76-1M3_decoys.pdbqt | data/4O/4O76-1M3/4O76-1M3_decoy_scores.csv |
4O7R-UDP | data/4O/4O7R-UDP/4O7R-UDP_ligand.pdbqt | data/4O/4O7R-UDP/4O7R-UDP_target.pdbqt | data/4O/4O7R-UDP/4O7R-UDP_decoys.pdbqt | data/4O/4O7R-UDP/4O7R-UDP_decoy_scores.csv |
4OXK-1S5 | data/4O/4OXK-1S5/4OXK-1S5_ligand.pdbqt | data/4O/4OXK-1S5/4OXK-1S5_target.pdbqt | data/4O/4OXK-1S5/4OXK-1S5_decoys.pdbqt | data/4O/4OXK-1S5/4OXK-1S5_decoy_scores.csv |
4OBO-2QV | data/4O/4OBO-2QV/4OBO-2QV_ligand.pdbqt | data/4O/4OBO-2QV/4OBO-2QV_target.pdbqt | data/4O/4OBO-2QV/4OBO-2QV_decoys.pdbqt | data/4O/4OBO-2QV/4OBO-2QV_decoy_scores.csv |
4OFR-DHT | data/4O/4OFR-DHT/4OFR-DHT_ligand.pdbqt | data/4O/4OFR-DHT/4OFR-DHT_target.pdbqt | data/4O/4OFR-DHT/4OFR-DHT_decoys.pdbqt | data/4O/4OFR-DHT/4OFR-DHT_decoy_scores.csv |
4OHV-ANP | data/4O/4OHV-ANP/4OHV-ANP_ligand.pdbqt | data/4O/4OHV-ANP/4OHV-ANP_target.pdbqt | data/4O/4OHV-ANP/4OHV-ANP_decoys.pdbqt | data/4O/4OHV-ANP/4OHV-ANP_decoy_scores.csv |
4OLD-2UZ | data/4O/4OLD-2UZ/4OLD-2UZ_ligand.pdbqt | data/4O/4OLD-2UZ/4OLD-2UZ_target.pdbqt | data/4O/4OLD-2UZ/4OLD-2UZ_decoys.pdbqt | data/4O/4OLD-2UZ/4OLD-2UZ_decoy_scores.csv |
4O5G-2PV | data/4O/4O5G-2PV/4O5G-2PV_ligand.pdbqt | data/4O/4O5G-2PV/4O5G-2PV_target.pdbqt | data/4O/4O5G-2PV/4O5G-2PV_decoys.pdbqt | data/4O/4O5G-2PV/4O5G-2PV_decoy_scores.csv |
4O1P-ANP | data/4O/4O1P-ANP/4O1P-ANP_ligand.pdbqt | data/4O/4O1P-ANP/4O1P-ANP_target.pdbqt | data/4O/4O1P-ANP/4O1P-ANP_decoys.pdbqt | data/4O/4O1P-ANP/4O1P-ANP_decoy_scores.csv |
4O07-FGH | data/4O/4O07-FGH/4O07-FGH_ligand.pdbqt | data/4O/4O07-FGH/4O07-FGH_target.pdbqt | data/4O/4O07-FGH/4O07-FGH_decoys.pdbqt | data/4O/4O07-FGH/4O07-FGH_decoy_scores.csv |
4OH5-HFT | data/4O/4OH5-HFT/4OH5-HFT_ligand.pdbqt | data/4O/4OH5-HFT/4OH5-HFT_target.pdbqt | data/4O/4OH5-HFT/4OH5-HFT_decoys.pdbqt | data/4O/4OH5-HFT/4OH5-HFT_decoy_scores.csv |
4OXN-2NV | data/4O/4OXN-2NV/4OXN-2NV_ligand.pdbqt | data/4O/4OXN-2NV/4OXN-2NV_target.pdbqt | data/4O/4OXN-2NV/4OXN-2NV_decoys.pdbqt | data/4O/4OXN-2NV/4OXN-2NV_decoy_scores.csv |
4OWO-6F0 | data/4O/4OWO-6F0/4OWO-6F0_ligand.pdbqt | data/4O/4OWO-6F0/4OWO-6F0_target.pdbqt | data/4O/4OWO-6F0/4OWO-6F0_decoys.pdbqt | data/4O/4OWO-6F0/4OWO-6F0_decoy_scores.csv |
4O2B-ACP | data/4O/4O2B-ACP/4O2B-ACP_ligand.pdbqt | data/4O/4O2B-ACP/4O2B-ACP_target.pdbqt | data/4O/4O2B-ACP/4O2B-ACP_decoys.pdbqt | data/4O/4O2B-ACP/4O2B-ACP_decoy_scores.csv |
4OEX-5EO | data/4O/4OEX-5EO/4OEX-5EO_ligand.pdbqt | data/4O/4OEX-5EO/4OEX-5EO_target.pdbqt | data/4O/4OEX-5EO/4OEX-5EO_decoys.pdbqt | data/4O/4OEX-5EO/4OEX-5EO_decoy_scores.csv |
4ORI-FMN | data/4O/4ORI-FMN/4ORI-FMN_ligand.pdbqt | data/4O/4ORI-FMN/4ORI-FMN_target.pdbqt | data/4O/4ORI-FMN/4ORI-FMN_decoys.pdbqt | data/4O/4ORI-FMN/4ORI-FMN_decoy_scores.csv |
4O81-AMP | data/4O/4O81-AMP/4O81-AMP_ligand.pdbqt | data/4O/4O81-AMP/4O81-AMP_target.pdbqt | data/4O/4O81-AMP/4O81-AMP_decoys.pdbqt | data/4O/4O81-AMP/4O81-AMP_decoy_scores.csv |
4O4F-IHP | data/4O/4O4F-IHP/4O4F-IHP_ligand.pdbqt | data/4O/4O4F-IHP/4O4F-IHP_target.pdbqt | data/4O/4O4F-IHP/4O4F-IHP_decoys.pdbqt | data/4O/4O4F-IHP/4O4F-IHP_decoy_scores.csv |
4OMJ-2TX | data/4O/4OMJ-2TX/4OMJ-2TX_ligand.pdbqt | data/4O/4OMJ-2TX/4OMJ-2TX_target.pdbqt | data/4O/4OMJ-2TX/4OMJ-2TX_decoys.pdbqt | data/4O/4OMJ-2TX/4OMJ-2TX_decoy_scores.csv |
4O9E-TYD | data/4O/4O9E-TYD/4O9E-TYD_ligand.pdbqt | data/4O/4O9E-TYD/4O9E-TYD_target.pdbqt | data/4O/4O9E-TYD/4O9E-TYD_decoys.pdbqt | data/4O/4O9E-TYD/4O9E-TYD_decoy_scores.csv |
4OYI-1VK | data/4O/4OYI-1VK/4OYI-1VK_ligand.pdbqt | data/4O/4OYI-1VK/4OYI-1VK_target.pdbqt | data/4O/4OYI-1VK/4OYI-1VK_decoys.pdbqt | data/4O/4OYI-1VK/4OYI-1VK_decoy_scores.csv |
4OES-EDT | data/4O/4OES-EDT/4OES-EDT_ligand.pdbqt | data/4O/4OES-EDT/4OES-EDT_target.pdbqt | data/4O/4OES-EDT/4OES-EDT_decoys.pdbqt | data/4O/4OES-EDT/4OES-EDT_decoy_scores.csv |
4OLG-2TV | data/4O/4OLG-2TV/4OLG-2TV_ligand.pdbqt | data/4O/4OLG-2TV/4OLG-2TV_target.pdbqt | data/4O/4OLG-2TV/4OLG-2TV_decoys.pdbqt | data/4O/4OLG-2TV/4OLG-2TV_decoy_scores.csv |
4OKS-2T9 | data/4O/4OKS-2T9/4OKS-2T9_ligand.pdbqt | data/4O/4OKS-2T9/4OKS-2T9_target.pdbqt | data/4O/4OKS-2T9/4OKS-2T9_decoys.pdbqt | data/4O/4OKS-2T9/4OKS-2T9_decoy_scores.csv |
4O33-3PG | data/4O/4O33-3PG/4O33-3PG_ligand.pdbqt | data/4O/4O33-3PG/4O33-3PG_target.pdbqt | data/4O/4O33-3PG/4O33-3PG_decoys.pdbqt | data/4O/4O33-3PG/4O33-3PG_decoy_scores.csv |
4O4E-5MY | data/4O/4O4E-5MY/4O4E-5MY_ligand.pdbqt | data/4O/4O4E-5MY/4O4E-5MY_target.pdbqt | data/4O/4O4E-5MY/4O4E-5MY_decoys.pdbqt | data/4O/4O4E-5MY/4O4E-5MY_decoy_scores.csv |
4O0R-7KC | data/4O/4O0R-7KC/4O0R-7KC_ligand.pdbqt | data/4O/4O0R-7KC/4O0R-7KC_target.pdbqt | data/4O/4O0R-7KC/4O0R-7KC_decoys.pdbqt | data/4O/4O0R-7KC/4O0R-7KC_decoy_scores.csv |
4O86-ADP | data/4O/4O86-ADP/4O86-ADP_ligand.pdbqt | data/4O/4O86-ADP/4O86-ADP_target.pdbqt | data/4O/4O86-ADP/4O86-ADP_decoys.pdbqt | data/4O/4O86-ADP/4O86-ADP_decoy_scores.csv |
4OVZ-P85 | data/4O/4OVZ-P85/4OVZ-P85_ligand.pdbqt | data/4O/4OVZ-P85/4OVZ-P85_target.pdbqt | data/4O/4OVZ-P85/4OVZ-P85_decoys.pdbqt | data/4O/4OVZ-P85/4OVZ-P85_decoy_scores.csv |
4O0Y-2OO | data/4O/4O0Y-2OO/4O0Y-2OO_ligand.pdbqt | data/4O/4O0Y-2OO/4O0Y-2OO_target.pdbqt | data/4O/4O0Y-2OO/4O0Y-2OO_decoys.pdbqt | data/4O/4O0Y-2OO/4O0Y-2OO_decoy_scores.csv |
4O4S-CYC | data/4O/4O4S-CYC/4O4S-CYC_ligand.pdbqt | data/4O/4O4S-CYC/4O4S-CYC_target.pdbqt | data/4O/4O4S-CYC/4O4S-CYC_decoys.pdbqt | data/4O/4O4S-CYC/4O4S-CYC_decoy_scores.csv |
4OCP-ADP | data/4O/4OCP-ADP/4OCP-ADP_ligand.pdbqt | data/4O/4OCP-ADP/4OCP-ADP_target.pdbqt | data/4O/4OCP-ADP/4OCP-ADP_decoys.pdbqt | data/4O/4OCP-ADP/4OCP-ADP_decoy_scores.csv |
4OIM-NAD | data/4O/4OIM-NAD/4OIM-NAD_ligand.pdbqt | data/4O/4OIM-NAD/4OIM-NAD_target.pdbqt | data/4O/4OIM-NAD/4OIM-NAD_decoys.pdbqt | data/4O/4OIM-NAD/4OIM-NAD_decoy_scores.csv |
4O7U-THF | data/4O/4O7U-THF/4O7U-THF_ligand.pdbqt | data/4O/4O7U-THF/4O7U-THF_target.pdbqt | data/4O/4O7U-THF/4O7U-THF_decoys.pdbqt | data/4O/4O7U-THF/4O7U-THF_decoy_scores.csv |
4O2A-GDP | data/4O/4O2A-GDP/4O2A-GDP_ligand.pdbqt | data/4O/4O2A-GDP/4O2A-GDP_target.pdbqt | data/4O/4O2A-GDP/4O2A-GDP_decoys.pdbqt | data/4O/4O2A-GDP/4O2A-GDP_decoy_scores.csv |
4OG1-PE8 | data/4O/4OG1-PE8/4OG1-PE8_ligand.pdbqt | data/4O/4OG1-PE8/4OG1-PE8_target.pdbqt | data/4O/4OG1-PE8/4OG1-PE8_decoys.pdbqt | data/4O/4OG1-PE8/4OG1-PE8_decoy_scores.csv |
4O6M-MPG | data/4O/4O6M-MPG/4O6M-MPG_ligand.pdbqt | data/4O/4O6M-MPG/4O6M-MPG_target.pdbqt | data/4O/4O6M-MPG/4O6M-MPG_decoys.pdbqt | data/4O/4O6M-MPG/4O6M-MPG_decoy_scores.csv |
4OHN-HIS | data/4O/4OHN-HIS/4OHN-HIS_ligand.pdbqt | data/4O/4OHN-HIS/4OHN-HIS_target.pdbqt | data/4O/4OHN-HIS/4OHN-HIS_decoys.pdbqt | data/4O/4OHN-HIS/4OHN-HIS_decoy_scores.csv |
4OYP-BZ2 | data/4O/4OYP-BZ2/4OYP-BZ2_ligand.pdbqt | data/4O/4OYP-BZ2/4OYP-BZ2_target.pdbqt | data/4O/4OYP-BZ2/4OYP-BZ2_decoys.pdbqt | data/4O/4OYP-BZ2/4OYP-BZ2_decoy_scores.csv |
4OQV-2V6 | data/4O/4OQV-2V6/4OQV-2V6_ligand.pdbqt | data/4O/4OQV-2V6/4OQV-2V6_target.pdbqt | data/4O/4OQV-2V6/4OQV-2V6_decoys.pdbqt | data/4O/4OQV-2V6/4OQV-2V6_decoy_scores.csv |
4OEP-12P | data/4O/4OEP-12P/4OEP-12P_ligand.pdbqt | data/4O/4OEP-12P/4OEP-12P_target.pdbqt | data/4O/4OEP-12P/4OEP-12P_decoys.pdbqt | data/4O/4OEP-12P/4OEP-12P_decoy_scores.csv |
4OVP-MAV | data/4O/4OVP-MAV/4OVP-MAV_ligand.pdbqt | data/4O/4OVP-MAV/4OVP-MAV_target.pdbqt | data/4O/4OVP-MAV/4OVP-MAV_decoys.pdbqt | data/4O/4OVP-MAV/4OVP-MAV_decoy_scores.csv |
4O2A-ADP | data/4O/4O2A-ADP/4O2A-ADP_ligand.pdbqt | data/4O/4O2A-ADP/4O2A-ADP_target.pdbqt | data/4O/4O2A-ADP/4O2A-ADP_decoys.pdbqt | data/4O/4O2A-ADP/4O2A-ADP_decoy_scores.csv |
4OE2-NAD | data/4O/4OE2-NAD/4OE2-NAD_ligand.pdbqt | data/4O/4OE2-NAD/4OE2-NAD_target.pdbqt | data/4O/4OE2-NAD/4OE2-NAD_decoys.pdbqt | data/4O/4OE2-NAD/4OE2-NAD_decoy_scores.csv |
4OZ1-LYS | data/4O/4OZ1-LYS/4OZ1-LYS_ligand.pdbqt | data/4O/4OZ1-LYS/4OZ1-LYS_target.pdbqt | data/4O/4OZ1-LYS/4OZ1-LYS_decoys.pdbqt | data/4O/4OZ1-LYS/4OZ1-LYS_decoy_scores.csv |
4O7N-ADP | data/4O/4O7N-ADP/4O7N-ADP_ligand.pdbqt | data/4O/4O7N-ADP/4O7N-ADP_target.pdbqt | data/4O/4O7N-ADP/4O7N-ADP_decoys.pdbqt | data/4O/4O7N-ADP/4O7N-ADP_decoy_scores.csv |
4OKP-2V0 | data/4O/4OKP-2V0/4OKP-2V0_ligand.pdbqt | data/4O/4OKP-2V0/4OKP-2V0_target.pdbqt | data/4O/4OKP-2V0/4OKP-2V0_decoys.pdbqt | data/4O/4OKP-2V0/4OKP-2V0_decoy_scores.csv |
4OG3-2S6 | data/4O/4OG3-2S6/4OG3-2S6_ligand.pdbqt | data/4O/4OG3-2S6/4OG3-2S6_target.pdbqt | data/4O/4OG3-2S6/4OG3-2S6_decoys.pdbqt | data/4O/4OG3-2S6/4OG3-2S6_decoy_scores.csv |
4ODJ-3PO | data/4O/4ODJ-3PO/4ODJ-3PO_ligand.pdbqt | data/4O/4ODJ-3PO/4ODJ-3PO_target.pdbqt | data/4O/4ODJ-3PO/4ODJ-3PO_decoys.pdbqt | data/4O/4ODJ-3PO/4ODJ-3PO_decoy_scores.csv |
4O0S-ADN | data/4O/4O0S-ADN/4O0S-ADN_ligand.pdbqt | data/4O/4O0S-ADN/4O0S-ADN_target.pdbqt | data/4O/4O0S-ADN/4O0S-ADN_decoys.pdbqt | data/4O/4O0S-ADN/4O0S-ADN_decoy_scores.csv |
4OKK-U5P | data/4O/4OKK-U5P/4OKK-U5P_ligand.pdbqt | data/4O/4OKK-U5P/4OKK-U5P_target.pdbqt | data/4O/4OKK-U5P/4OKK-U5P_decoys.pdbqt | data/4O/4OKK-U5P/4OKK-U5P_decoy_scores.csv |
4O7L-ADP | data/4O/4O7L-ADP/4O7L-ADP_ligand.pdbqt | data/4O/4O7L-ADP/4O7L-ADP_target.pdbqt | data/4O/4O7L-ADP/4O7L-ADP_decoys.pdbqt | data/4O/4O7L-ADP/4O7L-ADP_decoy_scores.csv |
4OAL-245 | data/4O/4OAL-245/4OAL-245_ligand.pdbqt | data/4O/4OAL-245/4OAL-245_target.pdbqt | data/4O/4OAL-245/4OAL-245_decoys.pdbqt | data/4O/4OAL-245/4OAL-245_decoy_scores.csv |
4O7U-SS7 | data/4O/4O7U-SS7/4O7U-SS7_ligand.pdbqt | data/4O/4O7U-SS7/4O7U-SS7_target.pdbqt | data/4O/4O7U-SS7/4O7U-SS7_decoys.pdbqt | data/4O/4O7U-SS7/4O7U-SS7_decoy_scores.csv |
4OJR-2SQ | data/4O/4OJR-2SQ/4OJR-2SQ_ligand.pdbqt | data/4O/4OJR-2SQ/4OJR-2SQ_target.pdbqt | data/4O/4OJR-2SQ/4OJR-2SQ_decoys.pdbqt | data/4O/4OJR-2SQ/4OJR-2SQ_decoy_scores.csv |
4OYB-1VJ | data/4O/4OYB-1VJ/4OYB-1VJ_ligand.pdbqt | data/4O/4OYB-1VJ/4OYB-1VJ_target.pdbqt | data/4O/4OYB-1VJ/4OYB-1VJ_decoys.pdbqt | data/4O/4OYB-1VJ/4OYB-1VJ_decoy_scores.csv |
4O4R-20V | data/4O/4O4R-20V/4O4R-20V_ligand.pdbqt | data/4O/4O4R-20V/4O4R-20V_target.pdbqt | data/4O/4O4R-20V/4O4R-20V_decoys.pdbqt | data/4O/4O4R-20V/4O4R-20V_decoy_scores.csv |
4OVT-LFC | data/4O/4OVT-LFC/4OVT-LFC_ligand.pdbqt | data/4O/4OVT-LFC/4OVT-LFC_target.pdbqt | data/4O/4OVT-LFC/4OVT-LFC_decoys.pdbqt | data/4O/4OVT-LFC/4OVT-LFC_decoy_scores.csv |
4ORM-ORO | data/4O/4ORM-ORO/4ORM-ORO_ligand.pdbqt | data/4O/4ORM-ORO/4ORM-ORO_target.pdbqt | data/4O/4ORM-ORO/4ORM-ORO_decoys.pdbqt | data/4O/4ORM-ORO/4ORM-ORO_decoy_scores.csv |
4OYM-1ZC | data/4O/4OYM-1ZC/4OYM-1ZC_ligand.pdbqt | data/4O/4OYM-1ZC/4OYM-1ZC_target.pdbqt | data/4O/4OYM-1ZC/4OYM-1ZC_decoys.pdbqt | data/4O/4OYM-1ZC/4OYM-1ZC_decoy_scores.csv |
4OE4-NAD | data/4O/4OE4-NAD/4OE4-NAD_ligand.pdbqt | data/4O/4OE4-NAD/4OE4-NAD_target.pdbqt | data/4O/4OE4-NAD/4OE4-NAD_decoys.pdbqt | data/4O/4OE4-NAD/4OE4-NAD_decoy_scores.csv |
4O33-TZN | data/4O/4O33-TZN/4O33-TZN_ligand.pdbqt | data/4O/4O33-TZN/4O33-TZN_target.pdbqt | data/4O/4O33-TZN/4O33-TZN_decoys.pdbqt | data/4O/4O33-TZN/4O33-TZN_decoy_scores.csv |
4OI4-ATP | data/4O/4OI4-ATP/4OI4-ATP_ligand.pdbqt | data/4O/4OI4-ATP/4OI4-ATP_target.pdbqt | data/4O/4OI4-ATP/4OI4-ATP_decoys.pdbqt | data/4O/4OI4-ATP/4OI4-ATP_decoy_scores.csv |
4OT5-481 | data/4O/4OT5-481/4OT5-481_ligand.pdbqt | data/4O/4OT5-481/4OT5-481_target.pdbqt | data/4O/4OT5-481/4OT5-481_decoys.pdbqt | data/4O/4OT5-481/4OT5-481_decoy_scores.csv |
4OIM-JUS | data/4O/4OIM-JUS/4OIM-JUS_ligand.pdbqt | data/4O/4OIM-JUS/4OIM-JUS_target.pdbqt | data/4O/4OIM-JUS/4OIM-JUS_decoys.pdbqt | data/4O/4OIM-JUS/4OIM-JUS_decoy_scores.csv |
4OJ8-2TQ | data/4O/4OJ8-2TQ/4OJ8-2TQ_ligand.pdbqt | data/4O/4OJ8-2TQ/4OJ8-2TQ_target.pdbqt | data/4O/4OJ8-2TQ/4OJ8-2TQ_decoys.pdbqt | data/4O/4OJ8-2TQ/4OJ8-2TQ_decoy_scores.csv |
4OFJ-HIS | data/4O/4OFJ-HIS/4OFJ-HIS_ligand.pdbqt | data/4O/4OFJ-HIS/4OFJ-HIS_target.pdbqt | data/4O/4OFJ-HIS/4OFJ-HIS_decoys.pdbqt | data/4O/4OFJ-HIS/4OFJ-HIS_decoy_scores.csv |
4OVG-2VF | data/4O/4OVG-2VF/4OVG-2VF_ligand.pdbqt | data/4O/4OVG-2VF/4OVG-2VF_target.pdbqt | data/4O/4OVG-2VF/4OVG-2VF_decoys.pdbqt | data/4O/4OVG-2VF/4OVG-2VF_decoy_scores.csv |
4OR7-25U | data/4O/4OR7-25U/4OR7-25U_ligand.pdbqt | data/4O/4OR7-25U/4OR7-25U_target.pdbqt | data/4O/4OR7-25U/4OR7-25U_decoys.pdbqt | data/4O/4OR7-25U/4OR7-25U_decoy_scores.csv |
4OL7-THP | data/4O/4OL7-THP/4OL7-THP_ligand.pdbqt | data/4O/4OL7-THP/4OL7-THP_target.pdbqt | data/4O/4OL7-THP/4OL7-THP_decoys.pdbqt | data/4O/4OL7-THP/4OL7-THP_decoy_scores.csv |
4OVR-GTR | data/4O/4OVR-GTR/4OVR-GTR_ligand.pdbqt | data/4O/4OVR-GTR/4OVR-GTR_target.pdbqt | data/4O/4OVR-GTR/4OVR-GTR_decoys.pdbqt | data/4O/4OVR-GTR/4OVR-GTR_decoy_scores.csv |
4O4D-ATP | data/4O/4O4D-ATP/4O4D-ATP_ligand.pdbqt | data/4O/4O4D-ATP/4O4D-ATP_target.pdbqt | data/4O/4O4D-ATP/4O4D-ATP_decoys.pdbqt | data/4O/4O4D-ATP/4O4D-ATP_decoy_scores.csv |
4O15-2P1 | data/4O/4O15-2P1/4O15-2P1_ligand.pdbqt | data/4O/4O15-2P1/4O15-2P1_target.pdbqt | data/4O/4O15-2P1/4O15-2P1_decoys.pdbqt | data/4O/4O15-2P1/4O15-2P1_decoy_scores.csv |
4ODF-2U1 | data/4O/4ODF-2U1/4ODF-2U1_ligand.pdbqt | data/4O/4ODF-2U1/4ODF-2U1_target.pdbqt | data/4O/4ODF-2U1/4ODF-2U1_decoys.pdbqt | data/4O/4ODF-2U1/4ODF-2U1_decoy_scores.csv |
4OXI-GAP | data/4O/4OXI-GAP/4OXI-GAP_ligand.pdbqt | data/4O/4OXI-GAP/4OXI-GAP_target.pdbqt | data/4O/4OXI-GAP/4OXI-GAP_decoys.pdbqt | data/4O/4OXI-GAP/4OXI-GAP_decoy_scores.csv |
4O4K-2PK | data/4O/4O4K-2PK/4O4K-2PK_ligand.pdbqt | data/4O/4O4K-2PK/4O4K-2PK_target.pdbqt | data/4O/4O4K-2PK/4O4K-2PK_decoys.pdbqt | data/4O/4O4K-2PK/4O4K-2PK_decoy_scores.csv |
4OBA-2TW | data/4O/4OBA-2TW/4OBA-2TW_ligand.pdbqt | data/4O/4OBA-2TW/4OBA-2TW_target.pdbqt | data/4O/4OBA-2TW/4OBA-2TW_decoys.pdbqt | data/4O/4OBA-2TW/4OBA-2TW_decoy_scores.csv |
4OOY-NXL | data/4O/4OOY-NXL/4OOY-NXL_ligand.pdbqt | data/4O/4OOY-NXL/4OOY-NXL_target.pdbqt | data/4O/4OOY-NXL/4OOY-NXL_decoys.pdbqt | data/4O/4OOY-NXL/4OOY-NXL_decoy_scores.csv |
4OHA-HFT | data/4O/4OHA-HFT/4OHA-HFT_ligand.pdbqt | data/4O/4OHA-HFT/4OHA-HFT_target.pdbqt | data/4O/4OHA-HFT/4OHA-HFT_decoys.pdbqt | data/4O/4OHA-HFT/4OHA-HFT_decoy_scores.csv |
4O7R-U5P | data/4O/4O7R-U5P/4O7R-U5P_ligand.pdbqt | data/4O/4O7R-U5P/4O7R-U5P_target.pdbqt | data/4O/4O7R-U5P/4O7R-U5P_decoys.pdbqt | data/4O/4O7R-U5P/4O7R-U5P_decoy_scores.csv |
4O2B-GTP | data/4O/4O2B-GTP/4O2B-GTP_ligand.pdbqt | data/4O/4O2B-GTP/4O2B-GTP_target.pdbqt | data/4O/4O2B-GTP/4O2B-GTP_decoys.pdbqt | data/4O/4O2B-GTP/4O2B-GTP_decoy_scores.csv |
4OCK-ANP | data/4O/4OCK-ANP/4OCK-ANP_ligand.pdbqt | data/4O/4OCK-ANP/4OCK-ANP_target.pdbqt | data/4O/4OCK-ANP/4OCK-ANP_decoys.pdbqt | data/4O/4OCK-ANP/4OCK-ANP_decoy_scores.csv |
4OJT-ADE | data/4O/4OJT-ADE/4OJT-ADE_ligand.pdbqt | data/4O/4OJT-ADE/4OJT-ADE_target.pdbqt | data/4O/4OJT-ADE/4OJT-ADE_decoys.pdbqt | data/4O/4OJT-ADE/4OJT-ADE_decoy_scores.csv |
4OZJ-ADP | data/4O/4OZJ-ADP/4OZJ-ADP_ligand.pdbqt | data/4O/4OZJ-ADP/4OZJ-ADP_target.pdbqt | data/4O/4OZJ-ADP/4OZJ-ADP_decoys.pdbqt | data/4O/4OZJ-ADP/4OZJ-ADP_decoy_scores.csv |
4OKW-198 | data/4O/4OKW-198/4OKW-198_ligand.pdbqt | data/4O/4OKW-198/4OKW-198_target.pdbqt | data/4O/4OKW-198/4OKW-198_decoys.pdbqt | data/4O/4OKW-198/4OKW-198_decoy_scores.csv |
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