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 ⌀ |
|---|---|---|---|---|
1UXK-NAD | data/1U/1UXK-NAD/1UXK-NAD_ligand.pdbqt | data/1U/1UXK-NAD/1UXK-NAD_target.pdbqt | data/1U/1UXK-NAD/1UXK-NAD_decoys.pdbqt | data/1U/1UXK-NAD/1UXK-NAD_decoy_scores.csv |
1UXQ-G1P | data/1U/1UXQ-G1P/1UXQ-G1P_ligand.pdbqt | data/1U/1UXQ-G1P/1UXQ-G1P_target.pdbqt | data/1U/1UXQ-G1P/1UXQ-G1P_decoys.pdbqt | data/1U/1UXQ-G1P/1UXQ-G1P_decoy_scores.csv |
1UU1-PMP | data/1U/1UU1-PMP/1UU1-PMP_ligand.pdbqt | data/1U/1UU1-PMP/1UU1-PMP_target.pdbqt | data/1U/1UU1-PMP/1UU1-PMP_decoys.pdbqt | data/1U/1UU1-PMP/1UU1-PMP_decoy_scores.csv |
1UDC-UFM | data/1U/1UDC-UFM/1UDC-UFM_ligand.pdbqt | data/1U/1UDC-UFM/1UDC-UFM_target.pdbqt | data/1U/1UDC-UFM/1UDC-UFM_decoys.pdbqt | data/1U/1UDC-UFM/1UDC-UFM_decoy_scores.csv |
1U8F-NAD | data/1U/1U8F-NAD/1U8F-NAD_ligand.pdbqt | data/1U/1U8F-NAD/1U8F-NAD_target.pdbqt | data/1U/1U8F-NAD/1U8F-NAD_decoys.pdbqt | data/1U/1U8F-NAD/1U8F-NAD_decoy_scores.csv |
1UFJ-CZM | data/1U/1UFJ-CZM/1UFJ-CZM_ligand.pdbqt | data/1U/1UFJ-CZM/1UFJ-CZM_target.pdbqt | data/1U/1UFJ-CZM/1UFJ-CZM_decoys.pdbqt | data/1U/1UFJ-CZM/1UFJ-CZM_decoy_scores.csv |
1UUM-AFI | data/1U/1UUM-AFI/1UUM-AFI_ligand.pdbqt | data/1U/1UUM-AFI/1UUM-AFI_target.pdbqt | data/1U/1UUM-AFI/1UUM-AFI_decoys.pdbqt | data/1U/1UUM-AFI/1UUM-AFI_decoy_scores.csv |
1UMP-C8E | data/1U/1UMP-C8E/1UMP-C8E_ligand.pdbqt | data/1U/1UMP-C8E/1UMP-C8E_target.pdbqt | data/1U/1UMP-C8E/1UMP-C8E_decoys.pdbqt | data/1U/1UMP-C8E/1UMP-C8E_decoy_scores.csv |
1U3G-THF | data/1U/1U3G-THF/1U3G-THF_ligand.pdbqt | data/1U/1U3G-THF/1U3G-THF_target.pdbqt | data/1U/1U3G-THF/1U3G-THF_decoys.pdbqt | data/1U/1U3G-THF/1U3G-THF_decoy_scores.csv |
1UIO-HPR | data/1U/1UIO-HPR/1UIO-HPR_ligand.pdbqt | data/1U/1UIO-HPR/1UIO-HPR_target.pdbqt | data/1U/1UIO-HPR/1UIO-HPR_decoys.pdbqt | data/1U/1UIO-HPR/1UIO-HPR_decoy_scores.csv |
1U9N-CNS | data/1U/1U9N-CNS/1U9N-CNS_ligand.pdbqt | data/1U/1U9N-CNS/1U9N-CNS_target.pdbqt | data/1U/1U9N-CNS/1U9N-CNS_decoys.pdbqt | data/1U/1U9N-CNS/1U9N-CNS_decoy_scores.csv |
1U3A-PE5 | data/1U/1U3A-PE5/1U3A-PE5_ligand.pdbqt | data/1U/1U3A-PE5/1U3A-PE5_target.pdbqt | data/1U/1U3A-PE5/1U3A-PE5_decoys.pdbqt | data/1U/1U3A-PE5/1U3A-PE5_decoy_scores.csv |
1UNB-PN1 | data/1U/1UNB-PN1/1UNB-PN1_ligand.pdbqt | data/1U/1UNB-PN1/1UNB-PN1_target.pdbqt | data/1U/1UNB-PN1/1UNB-PN1_decoys.pdbqt | data/1U/1UNB-PN1/1UNB-PN1_decoy_scores.csv |
1UQU-UPG | data/1U/1UQU-UPG/1UQU-UPG_ligand.pdbqt | data/1U/1UQU-UPG/1UQU-UPG_target.pdbqt | data/1U/1UQU-UPG/1UQU-UPG_decoys.pdbqt | data/1U/1UQU-UPG/1UQU-UPG_decoy_scores.csv |
1U3S-797 | data/1U/1U3S-797/1U3S-797_ligand.pdbqt | data/1U/1U3S-797/1U3S-797_target.pdbqt | data/1U/1U3S-797/1U3S-797_decoys.pdbqt | data/1U/1U3S-797/1U3S-797_decoy_scores.csv |
1UPW-444 | data/1U/1UPW-444/1UPW-444_ligand.pdbqt | data/1U/1UPW-444/1UPW-444_target.pdbqt | data/1U/1UPW-444/1UPW-444_decoys.pdbqt | data/1U/1UPW-444/1UPW-444_decoy_scores.csv |
1UYC-PU7 | data/1U/1UYC-PU7/1UYC-PU7_ligand.pdbqt | data/1U/1UYC-PU7/1UYC-PU7_target.pdbqt | data/1U/1UYC-PU7/1UYC-PU7_decoys.pdbqt | data/1U/1UYC-PU7/1UYC-PU7_decoy_scores.csv |
1U3D-ANP | data/1U/1U3D-ANP/1U3D-ANP_ligand.pdbqt | data/1U/1U3D-ANP/1U3D-ANP_target.pdbqt | data/1U/1U3D-ANP/1U3D-ANP_decoys.pdbqt | data/1U/1U3D-ANP/1U3D-ANP_decoy_scores.csv |
1UEU-CTP | data/1U/1UEU-CTP/1UEU-CTP_ligand.pdbqt | data/1U/1UEU-CTP/1UEU-CTP_target.pdbqt | data/1U/1UEU-CTP/1UEU-CTP_decoys.pdbqt | data/1U/1UEU-CTP/1UEU-CTP_decoy_scores.csv |
1UT6-A8N | data/1U/1UT6-A8N/1UT6-A8N_ligand.pdbqt | data/1U/1UT6-A8N/1UT6-A8N_target.pdbqt | data/1U/1UT6-A8N/1UT6-A8N_decoys.pdbqt | data/1U/1UT6-A8N/1UT6-A8N_decoy_scores.csv |
1UXJ-NAD | data/1U/1UXJ-NAD/1UXJ-NAD_ligand.pdbqt | data/1U/1UXJ-NAD/1UXJ-NAD_target.pdbqt | data/1U/1UXJ-NAD/1UXJ-NAD_decoys.pdbqt | data/1U/1UXJ-NAD/1UXJ-NAD_decoy_scores.csv |
1U8X-G6P | data/1U/1U8X-G6P/1U8X-G6P_ligand.pdbqt | data/1U/1U8X-G6P/1U8X-G6P_target.pdbqt | data/1U/1U8X-G6P/1U8X-G6P_decoys.pdbqt | data/1U/1U8X-G6P/1U8X-G6P_decoy_scores.csv |
1UBY-DMA | data/1U/1UBY-DMA/1UBY-DMA_ligand.pdbqt | data/1U/1UBY-DMA/1UBY-DMA_target.pdbqt | data/1U/1UBY-DMA/1UBY-DMA_decoys.pdbqt | data/1U/1UBY-DMA/1UBY-DMA_decoy_scores.csv |
1U3V-HPL | data/1U/1U3V-HPL/1U3V-HPL_ligand.pdbqt | data/1U/1U3V-HPL/1U3V-HPL_target.pdbqt | data/1U/1U3V-HPL/1U3V-HPL_decoys.pdbqt | data/1U/1U3V-HPL/1U3V-HPL_decoy_scores.csv |
1U0F-G6P | data/1U/1U0F-G6P/1U0F-G6P_ligand.pdbqt | data/1U/1U0F-G6P/1U0F-G6P_target.pdbqt | data/1U/1U0F-G6P/1U0F-G6P_decoys.pdbqt | data/1U/1U0F-G6P/1U0F-G6P_decoy_scores.csv |
1UR5-NAD | data/1U/1UR5-NAD/1UR5-NAD_ligand.pdbqt | data/1U/1UR5-NAD/1UR5-NAD_target.pdbqt | data/1U/1UR5-NAD/1UR5-NAD_decoys.pdbqt | data/1U/1UR5-NAD/1UR5-NAD_decoy_scores.csv |
1UBW-GPP | data/1U/1UBW-GPP/1UBW-GPP_ligand.pdbqt | data/1U/1UBW-GPP/1UBW-GPP_target.pdbqt | data/1U/1UBW-GPP/1UBW-GPP_decoys.pdbqt | data/1U/1UBW-GPP/1UBW-GPP_decoy_scores.csv |
1U1G-BBB | data/1U/1U1G-BBB/1U1G-BBB_ligand.pdbqt | data/1U/1U1G-BBB/1U1G-BBB_target.pdbqt | data/1U/1U1G-BBB/1U1G-BBB_decoys.pdbqt | data/1U/1U1G-BBB/1U1G-BBB_decoy_scores.csv |
1UKY-ADP | data/1U/1UKY-ADP/1UKY-ADP_ligand.pdbqt | data/1U/1UKY-ADP/1UKY-ADP_target.pdbqt | data/1U/1UKY-ADP/1UKY-ADP_decoys.pdbqt | data/1U/1UKY-ADP/1UKY-ADP_decoy_scores.csv |
1UYD-PU8 | data/1U/1UYD-PU8/1UYD-PU8_ligand.pdbqt | data/1U/1UYD-PU8/1UYD-PU8_target.pdbqt | data/1U/1UYD-PU8/1UYD-PU8_decoys.pdbqt | data/1U/1UYD-PU8/1UYD-PU8_decoy_scores.csv |
1UZD-CAP | data/1U/1UZD-CAP/1UZD-CAP_ligand.pdbqt | data/1U/1UZD-CAP/1UZD-CAP_target.pdbqt | data/1U/1UZD-CAP/1UZD-CAP_decoys.pdbqt | data/1U/1UZD-CAP/1UZD-CAP_decoy_scores.csv |
1U3R-338 | data/1U/1U3R-338/1U3R-338_ligand.pdbqt | data/1U/1U3R-338/1U3R-338_target.pdbqt | data/1U/1U3R-338/1U3R-338_decoys.pdbqt | data/1U/1U3R-338/1U3R-338_decoy_scores.csv |
1U4G-HPI | data/1U/1U4G-HPI/1U4G-HPI_ligand.pdbqt | data/1U/1U4G-HPI/1U4G-HPI_target.pdbqt | data/1U/1U4G-HPI/1U4G-HPI_decoys.pdbqt | data/1U/1U4G-HPI/1U4G-HPI_decoy_scores.csv |
1U4O-NDD | data/1U/1U4O-NDD/1U4O-NDD_ligand.pdbqt | data/1U/1U4O-NDD/1U4O-NDD_target.pdbqt | data/1U/1U4O-NDD/1U4O-NDD_decoys.pdbqt | data/1U/1U4O-NDD/1U4O-NDD_decoy_scores.csv |
1U9W-IHI | data/1U/1U9W-IHI/1U9W-IHI_ligand.pdbqt | data/1U/1U9W-IHI/1U9W-IHI_target.pdbqt | data/1U/1U9W-IHI/1U9W-IHI_decoys.pdbqt | data/1U/1U9W-IHI/1U9W-IHI_decoy_scores.csv |
1UEH-OXN | data/1U/1UEH-OXN/1UEH-OXN_ligand.pdbqt | data/1U/1UEH-OXN/1UEH-OXN_target.pdbqt | data/1U/1UEH-OXN/1UEH-OXN_decoys.pdbqt | data/1U/1UEH-OXN/1UEH-OXN_decoy_scores.csv |
1UKZ-ADP | data/1U/1UKZ-ADP/1UKZ-ADP_ligand.pdbqt | data/1U/1UKZ-ADP/1UKZ-ADP_target.pdbqt | data/1U/1UKZ-ADP/1UKZ-ADP_decoys.pdbqt | data/1U/1UKZ-ADP/1UKZ-ADP_decoy_scores.csv |
1UNL-RRC | data/1U/1UNL-RRC/1UNL-RRC_ligand.pdbqt | data/1U/1UNL-RRC/1UNL-RRC_target.pdbqt | data/1U/1UNL-RRC/1UNL-RRC_decoys.pdbqt | data/1U/1UNL-RRC/1UNL-RRC_decoy_scores.csv |
1U28-NAD | data/1U/1U28-NAD/1U28-NAD_ligand.pdbqt | data/1U/1U28-NAD/1U28-NAD_target.pdbqt | data/1U/1U28-NAD/1U28-NAD_decoys.pdbqt | data/1U/1U28-NAD/1U28-NAD_decoy_scores.csv |
1UF7-CDV | data/1U/1UF7-CDV/1UF7-CDV_ligand.pdbqt | data/1U/1UF7-CDV/1UF7-CDV_target.pdbqt | data/1U/1UF7-CDV/1UF7-CDV_decoys.pdbqt | data/1U/1UF7-CDV/1UF7-CDV_decoy_scores.csv |
1UUO-ORO | data/1U/1UUO-ORO/1UUO-ORO_ligand.pdbqt | data/1U/1UUO-ORO/1UUO-ORO_target.pdbqt | data/1U/1UUO-ORO/1UUO-ORO_decoys.pdbqt | data/1U/1UUO-ORO/1UUO-ORO_decoy_scores.csv |
1U7W-CTP | data/1U/1U7W-CTP/1U7W-CTP_ligand.pdbqt | data/1U/1U7W-CTP/1U7W-CTP_target.pdbqt | data/1U/1U7W-CTP/1U7W-CTP_decoys.pdbqt | data/1U/1U7W-CTP/1U7W-CTP_decoy_scores.csv |
1U3W-NAD | data/1U/1U3W-NAD/1U3W-NAD_ligand.pdbqt | data/1U/1U3W-NAD/1U3W-NAD_target.pdbqt | data/1U/1U3W-NAD/1U3W-NAD_decoys.pdbqt | data/1U/1U3W-NAD/1U3W-NAD_decoy_scores.csv |
1U33-LM2 | data/1U/1U33-LM2/1U33-LM2_ligand.pdbqt | data/1U/1U33-LM2/1U33-LM2_target.pdbqt | data/1U/1U33-LM2/1U33-LM2_decoys.pdbqt | data/1U/1U33-LM2/1U33-LM2_decoy_scores.csv |
1UPM-CAP | data/1U/1UPM-CAP/1UPM-CAP_ligand.pdbqt | data/1U/1UPM-CAP/1UPM-CAP_target.pdbqt | data/1U/1UPM-CAP/1UPM-CAP_decoys.pdbqt | data/1U/1UPM-CAP/1UPM-CAP_decoy_scores.csv |
1U0W-STL | data/1U/1U0W-STL/1U0W-STL_ligand.pdbqt | data/1U/1U0W-STL/1U0W-STL_target.pdbqt | data/1U/1U0W-STL/1U0W-STL_decoys.pdbqt | data/1U/1U0W-STL/1U0W-STL_decoy_scores.csv |
1U30-LAG | data/1U/1U30-LAG/1U30-LAG_ligand.pdbqt | data/1U/1U30-LAG/1U30-LAG_target.pdbqt | data/1U/1U30-LAG/1U30-LAG_decoys.pdbqt | data/1U/1U30-LAG/1U30-LAG_decoy_scores.csv |
1UZ4-IFL | data/1U/1UZ4-IFL/1UZ4-IFL_ligand.pdbqt | data/1U/1UZ4-IFL/1UZ4-IFL_target.pdbqt | data/1U/1UZ4-IFL/1UZ4-IFL_decoys.pdbqt | data/1U/1UZ4-IFL/1UZ4-IFL_decoy_scores.csv |
1UOM-PTI | data/1U/1UOM-PTI/1UOM-PTI_ligand.pdbqt | data/1U/1UOM-PTI/1UOM-PTI_target.pdbqt | data/1U/1UOM-PTI/1UOM-PTI_decoys.pdbqt | data/1U/1UOM-PTI/1UOM-PTI_decoy_scores.csv |
1U0G-E4P | data/1U/1U0G-E4P/1U0G-E4P_ligand.pdbqt | data/1U/1U0G-E4P/1U0G-E4P_target.pdbqt | data/1U/1U0G-E4P/1U0G-E4P_decoys.pdbqt | data/1U/1U0G-E4P/1U0G-E4P_decoy_scores.csv |
1UZE-EAL | data/1U/1UZE-EAL/1UZE-EAL_ligand.pdbqt | data/1U/1UZE-EAL/1UZE-EAL_target.pdbqt | data/1U/1UZE-EAL/1UZE-EAL_decoys.pdbqt | data/1U/1UZE-EAL/1UZE-EAL_decoy_scores.csv |
1UVK-G | data/1U/1UVK-G/1UVK-G_ligand.pdbqt | data/1U/1UVK-G/1UVK-G_target.pdbqt | data/1U/1UVK-G/1UVK-G_decoys.pdbqt | data/1U/1UVK-G/1UVK-G_decoy_scores.csv |
1UXY-EPU | data/1U/1UXY-EPU/1UXY-EPU_ligand.pdbqt | data/1U/1UXY-EPU/1UXY-EPU_target.pdbqt | data/1U/1UXY-EPU/1UXY-EPU_decoys.pdbqt | data/1U/1UXY-EPU/1UXY-EPU_decoy_scores.csv |
1UWC-FER | data/1U/1UWC-FER/1UWC-FER_ligand.pdbqt | data/1U/1UWC-FER/1UWC-FER_target.pdbqt | data/1U/1UWC-FER/1UWC-FER_decoys.pdbqt | data/1U/1UWC-FER/1UWC-FER_decoy_scores.csv |
1U9X-IHJ | data/1U/1U9X-IHJ/1U9X-IHJ_ligand.pdbqt | data/1U/1U9X-IHJ/1U9X-IHJ_target.pdbqt | data/1U/1U9X-IHJ/1U9X-IHJ_decoys.pdbqt | data/1U/1U9X-IHJ/1U9X-IHJ_decoy_scores.csv |
1UMG-2FP | data/1U/1UMG-2FP/1UMG-2FP_ligand.pdbqt | data/1U/1UMG-2FP/1UMG-2FP_target.pdbqt | data/1U/1UMG-2FP/1UMG-2FP_decoys.pdbqt | data/1U/1UMG-2FP/1UMG-2FP_decoy_scores.csv |
4V3Z-H4B | data/4V/4V3Z-H4B/4V3Z-H4B_ligand.pdbqt | data/4V/4V3Z-H4B/4V3Z-H4B_target.pdbqt | data/4V/4V3Z-H4B/4V3Z-H4B_decoys.pdbqt | data/4V/4V3Z-H4B/4V3Z-H4B_decoy_scores.csv |
4V3V-H4B | data/4V/4V3V-H4B/4V3V-H4B_ligand.pdbqt | data/4V/4V3V-H4B/4V3V-H4B_target.pdbqt | data/4V/4V3V-H4B/4V3V-H4B_decoys.pdbqt | data/4V/4V3V-H4B/4V3V-H4B_decoy_scores.csv |
4V32-EF2 | data/4V/4V32-EF2/4V32-EF2_ligand.pdbqt | data/4V/4V32-EF2/4V32-EF2_target.pdbqt | data/4V/4V32-EF2/4V32-EF2_decoys.pdbqt | data/4V/4V32-EF2/4V32-EF2_decoy_scores.csv |
4V2Y-EF2 | data/4V/4V2Y-EF2/4V2Y-EF2_ligand.pdbqt | data/4V/4V2Y-EF2/4V2Y-EF2_target.pdbqt | data/4V/4V2Y-EF2/4V2Y-EF2_decoys.pdbqt | data/4V/4V2Y-EF2/4V2Y-EF2_decoy_scores.csv |
4V3W-H4B | data/4V/4V3W-H4B/4V3W-H4B_ligand.pdbqt | data/4V/4V3W-H4B/4V3W-H4B_target.pdbqt | data/4V/4V3W-H4B/4V3W-H4B_decoys.pdbqt | data/4V/4V3W-H4B/4V3W-H4B_decoy_scores.csv |
4V31-DUR | data/4V/4V31-DUR/4V31-DUR_ligand.pdbqt | data/4V/4V31-DUR/4V31-DUR_target.pdbqt | data/4V/4V31-DUR/4V31-DUR_decoys.pdbqt | data/4V/4V31-DUR/4V31-DUR_decoy_scores.csv |
4V01-0LI | data/4V/4V01-0LI/4V01-0LI_ligand.pdbqt | data/4V/4V01-0LI/4V01-0LI_target.pdbqt | data/4V/4V01-0LI/4V01-0LI_decoys.pdbqt | data/4V/4V01-0LI/4V01-0LI_decoy_scores.csv |
4V3W-E2Z | data/4V/4V3W-E2Z/4V3W-E2Z_ligand.pdbqt | data/4V/4V3W-E2Z/4V3W-E2Z_target.pdbqt | data/4V/4V3W-E2Z/4V3W-E2Z_decoys.pdbqt | data/4V/4V3W-E2Z/4V3W-E2Z_decoy_scores.csv |
4V03-ADP | data/4V/4V03-ADP/4V03-ADP_ligand.pdbqt | data/4V/4V03-ADP/4V03-ADP_target.pdbqt | data/4V/4V03-ADP/4V03-ADP_decoys.pdbqt | data/4V/4V03-ADP/4V03-ADP_decoy_scores.csv |
4V0K-GDP | data/4V/4V0K-GDP/4V0K-GDP_ligand.pdbqt | data/4V/4V0K-GDP/4V0K-GDP_target.pdbqt | data/4V/4V0K-GDP/4V0K-GDP_decoys.pdbqt | data/4V/4V0K-GDP/4V0K-GDP_decoy_scores.csv |
4V0R-SAH | data/4V/4V0R-SAH/4V0R-SAH_ligand.pdbqt | data/4V/4V0R-SAH/4V0R-SAH_target.pdbqt | data/4V/4V0R-SAH/4V0R-SAH_decoys.pdbqt | data/4V/4V0R-SAH/4V0R-SAH_decoy_scores.csv |
4V3H-C8E | data/4V/4V3H-C8E/4V3H-C8E_ligand.pdbqt | data/4V/4V3H-C8E/4V3H-C8E_target.pdbqt | data/4V/4V3H-C8E/4V3H-C8E_decoys.pdbqt | data/4V/4V3H-C8E/4V3H-C8E_decoy_scores.csv |
4V3Y-HLW | data/4V/4V3Y-HLW/4V3Y-HLW_ligand.pdbqt | data/4V/4V3Y-HLW/4V3Y-HLW_target.pdbqt | data/4V/4V3Y-HLW/4V3Y-HLW_decoys.pdbqt | data/4V/4V3Y-HLW/4V3Y-HLW_decoy_scores.csv |
4V3U-H4B | data/4V/4V3U-H4B/4V3U-H4B_ligand.pdbqt | data/4V/4V3U-H4B/4V3U-H4B_target.pdbqt | data/4V/4V3U-H4B/4V3U-H4B_decoys.pdbqt | data/4V/4V3U-H4B/4V3U-H4B_decoy_scores.csv |
4V2Z-Y70 | data/4V/4V2Z-Y70/4V2Z-Y70_ligand.pdbqt | data/4V/4V2Z-Y70/4V2Z-Y70_target.pdbqt | data/4V/4V2Z-Y70/4V2Z-Y70_decoys.pdbqt | data/4V/4V2Z-Y70/4V2Z-Y70_decoy_scores.csv |
4V1K-P6G | data/4V/4V1K-P6G/4V1K-P6G_ligand.pdbqt | data/4V/4V1K-P6G/4V1K-P6G_target.pdbqt | data/4V/4V1K-P6G/4V1K-P6G_decoys.pdbqt | data/4V/4V1K-P6G/4V1K-P6G_decoy_scores.csv |
4V37-NAD | data/4V/4V37-NAD/4V37-NAD_ligand.pdbqt | data/4V/4V37-NAD/4V37-NAD_target.pdbqt | data/4V/4V37-NAD/4V37-NAD_decoys.pdbqt | data/4V/4V37-NAD/4V37-NAD_decoy_scores.csv |
4V3X-H4B | data/4V/4V3X-H4B/4V3X-H4B_ligand.pdbqt | data/4V/4V3X-H4B/4V3X-H4B_target.pdbqt | data/4V/4V3X-H4B/4V3X-H4B_decoys.pdbqt | data/4V/4V3X-H4B/4V3X-H4B_decoy_scores.csv |
4V3B-C | data/4V/4V3B-C/4V3B-C_ligand.pdbqt | data/4V/4V3B-C/4V3B-C_target.pdbqt | data/4V/4V3B-C/4V3B-C_decoys.pdbqt | data/4V/4V3B-C/4V3B-C_decoy_scores.csv |
4V12-POG | data/4V/4V12-POG/4V12-POG_ligand.pdbqt | data/4V/4V12-POG/4V12-POG_target.pdbqt | data/4V/4V12-POG/4V12-POG_decoys.pdbqt | data/4V/4V12-POG/4V12-POG_decoy_scores.csv |
4V2O-CLQ | data/4V/4V2O-CLQ/4V2O-CLQ_ligand.pdbqt | data/4V/4V2O-CLQ/4V2O-CLQ_target.pdbqt | data/4V/4V2O-CLQ/4V2O-CLQ_decoys.pdbqt | data/4V/4V2O-CLQ/4V2O-CLQ_decoy_scores.csv |
4V26-TF3 | data/4V/4V26-TF3/4V26-TF3_ligand.pdbqt | data/4V/4V26-TF3/4V26-TF3_target.pdbqt | data/4V/4V26-TF3/4V26-TF3_decoys.pdbqt | data/4V/4V26-TF3/4V26-TF3_decoy_scores.csv |
4V08-DFP | data/4V/4V08-DFP/4V08-DFP_ligand.pdbqt | data/4V/4V08-DFP/4V08-DFP_target.pdbqt | data/4V/4V08-DFP/4V08-DFP_decoys.pdbqt | data/4V/4V08-DFP/4V08-DFP_decoy_scores.csv |
4V1H-IBQ | data/4V/4V1H-IBQ/4V1H-IBQ_ligand.pdbqt | data/4V/4V1H-IBQ/4V1H-IBQ_target.pdbqt | data/4V/4V1H-IBQ/4V1H-IBQ_decoys.pdbqt | data/4V/4V1H-IBQ/4V1H-IBQ_decoy_scores.csv |
4V12-BTB | data/4V/4V12-BTB/4V12-BTB_ligand.pdbqt | data/4V/4V12-BTB/4V12-BTB_target.pdbqt | data/4V/4V12-BTB/4V12-BTB_decoys.pdbqt | data/4V/4V12-BTB/4V12-BTB_decoy_scores.csv |
4V3Z-9HL | data/4V/4V3Z-9HL/4V3Z-9HL_ligand.pdbqt | data/4V/4V3Z-9HL/4V3Z-9HL_target.pdbqt | data/4V/4V3Z-9HL/4V3Z-9HL_decoys.pdbqt | data/4V/4V3Z-9HL/4V3Z-9HL_decoy_scores.csv |
4V04-0LI | data/4V/4V04-0LI/4V04-0LI_ligand.pdbqt | data/4V/4V04-0LI/4V04-0LI_target.pdbqt | data/4V/4V04-0LI/4V04-0LI_decoys.pdbqt | data/4V/4V04-0LI/4V04-0LI_decoy_scores.csv |
4V27-IFM | data/4V/4V27-IFM/4V27-IFM_ligand.pdbqt | data/4V/4V27-IFM/4V27-IFM_target.pdbqt | data/4V/4V27-IFM/4V27-IFM_decoys.pdbqt | data/4V/4V27-IFM/4V27-IFM_decoy_scores.csv |
4V1F-BQ1 | data/4V/4V1F-BQ1/4V1F-BQ1_ligand.pdbqt | data/4V/4V1F-BQ1/4V1F-BQ1_target.pdbqt | data/4V/4V1F-BQ1/4V1F-BQ1_decoys.pdbqt | data/4V/4V1F-BQ1/4V1F-BQ1_decoy_scores.csv |
4V3C-C | data/4V/4V3C-C/4V3C-C_ligand.pdbqt | data/4V/4V3C-C/4V3C-C_target.pdbqt | data/4V/4V3C-C/4V3C-C_decoys.pdbqt | data/4V/4V3C-C/4V3C-C_decoy_scores.csv |
4V0S-7HN | data/4V/4V0S-7HN/4V0S-7HN_ligand.pdbqt | data/4V/4V0S-7HN/4V0S-7HN_target.pdbqt | data/4V/4V0S-7HN/4V0S-7HN_decoys.pdbqt | data/4V/4V0S-7HN/4V0S-7HN_decoy_scores.csv |
4V3U-EG8 | data/4V/4V3U-EG8/4V3U-EG8_ligand.pdbqt | data/4V/4V3U-EG8/4V3U-EG8_target.pdbqt | data/4V/4V3U-EG8/4V3U-EG8_decoys.pdbqt | data/4V/4V3U-EG8/4V3U-EG8_decoy_scores.csv |
4V31-FLC | data/4V/4V31-FLC/4V31-FLC_ligand.pdbqt | data/4V/4V31-FLC/4V31-FLC_target.pdbqt | data/4V/4V31-FLC/4V31-FLC_decoys.pdbqt | data/4V/4V31-FLC/4V31-FLC_decoy_scores.csv |
4V0R-GTP | data/4V/4V0R-GTP/4V0R-GTP_ligand.pdbqt | data/4V/4V0R-GTP/4V0R-GTP_target.pdbqt | data/4V/4V0R-GTP/4V0R-GTP_decoys.pdbqt | data/4V/4V0R-GTP/4V0R-GTP_decoy_scores.csv |
4V36-LYN | data/4V/4V36-LYN/4V36-LYN_ligand.pdbqt | data/4V/4V36-LYN/4V36-LYN_target.pdbqt | data/4V/4V36-LYN/4V36-LYN_decoys.pdbqt | data/4V/4V36-LYN/4V36-LYN_decoy_scores.csv |
4V26-7TJ | data/4V/4V26-7TJ/4V26-7TJ_ligand.pdbqt | data/4V/4V26-7TJ/4V26-7TJ_target.pdbqt | data/4V/4V26-7TJ/4V26-7TJ_decoys.pdbqt | data/4V/4V26-7TJ/4V26-7TJ_decoy_scores.csv |
4V3X-4E8 | data/4V/4V3X-4E8/4V3X-4E8_ligand.pdbqt | data/4V/4V3X-4E8/4V3X-4E8_target.pdbqt | data/4V/4V3X-4E8/4V3X-4E8_decoys.pdbqt | data/4V/4V3X-4E8/4V3X-4E8_decoy_scores.csv |
4V0L-GTP | data/4V/4V0L-GTP/4V0L-GTP_ligand.pdbqt | data/4V/4V0L-GTP/4V0L-GTP_target.pdbqt | data/4V/4V0L-GTP/4V0L-GTP_decoys.pdbqt | data/4V/4V0L-GTP/4V0L-GTP_decoy_scores.csv |
4V3Y-H4B | data/4V/4V3Y-H4B/4V3Y-H4B_ligand.pdbqt | data/4V/4V3Y-H4B/4V3Y-H4B_target.pdbqt | data/4V/4V3Y-H4B/4V3Y-H4B_decoys.pdbqt | data/4V/4V3Y-H4B/4V3Y-H4B_decoy_scores.csv |
4V24-GYR | data/4V/4V24-GYR/4V24-GYR_ligand.pdbqt | data/4V/4V24-GYR/4V24-GYR_target.pdbqt | data/4V/4V24-GYR/4V24-GYR_decoys.pdbqt | data/4V/4V24-GYR/4V24-GYR_decoy_scores.csv |
4V3V-S8F | data/4V/4V3V-S8F/4V3V-S8F_ligand.pdbqt | data/4V/4V3V-S8F/4V3V-S8F_target.pdbqt | data/4V/4V3V-S8F/4V3V-S8F_decoys.pdbqt | data/4V/4V3V-S8F/4V3V-S8F_decoy_scores.csv |
4V1T-ADP | data/4V/4V1T-ADP/4V1T-ADP_ligand.pdbqt | data/4V/4V1T-ADP/4V1T-ADP_target.pdbqt | data/4V/4V1T-ADP/4V1T-ADP_decoys.pdbqt | data/4V/4V1T-ADP/4V1T-ADP_decoy_scores.csv |
4V30-LVY | data/4V/4V30-LVY/4V30-LVY_ligand.pdbqt | data/4V/4V30-LVY/4V30-LVY_target.pdbqt | data/4V/4V30-LVY/4V30-LVY_decoys.pdbqt | data/4V/4V30-LVY/4V30-LVY_decoy_scores.csv |
4V0S-2HN | data/4V/4V0S-2HN/4V0S-2HN_ligand.pdbqt | data/4V/4V0S-2HN/4V0S-2HN_target.pdbqt | data/4V/4V0S-2HN/4V0S-2HN_decoys.pdbqt | data/4V/4V0S-2HN/4V0S-2HN_decoy_scores.csv |
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