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 ⌀ |
|---|---|---|---|---|
3PCF-FHB | data/3P/3PCF-FHB/3PCF-FHB_ligand.pdbqt | data/3P/3PCF-FHB/3PCF-FHB_target.pdbqt | data/3P/3PCF-FHB/3PCF-FHB_decoys.pdbqt | data/3P/3PCF-FHB/3PCF-FHB_decoy_scores.csv |
3PLB-BEN | data/3P/3PLB-BEN/3PLB-BEN_ligand.pdbqt | data/3P/3PLB-BEN/3PLB-BEN_target.pdbqt | data/3P/3PLB-BEN/3PLB-BEN_decoys.pdbqt | data/3P/3PLB-BEN/3PLB-BEN_decoy_scores.csv |
3PYX-12T | data/3P/3PYX-12T/3PYX-12T_ligand.pdbqt | data/3P/3PYX-12T/3PYX-12T_target.pdbqt | data/3P/3PYX-12T/3PYX-12T_decoys.pdbqt | data/3P/3PYX-12T/3PYX-12T_decoy_scores.csv |
3PG0-BTB | data/3P/3PG0-BTB/3PG0-BTB_ligand.pdbqt | data/3P/3PG0-BTB/3PG0-BTB_target.pdbqt | data/3P/3PG0-BTB/3PG0-BTB_decoys.pdbqt | data/3P/3PG0-BTB/3PG0-BTB_decoy_scores.csv |
3PKJ-A2N | data/3P/3PKJ-A2N/3PKJ-A2N_ligand.pdbqt | data/3P/3PKJ-A2N/3PKJ-A2N_target.pdbqt | data/3P/3PKJ-A2N/3PKJ-A2N_decoys.pdbqt | data/3P/3PKJ-A2N/3PKJ-A2N_decoy_scores.csv |
3PZE-CFK | data/3P/3PZE-CFK/3PZE-CFK_ligand.pdbqt | data/3P/3PZE-CFK/3PZE-CFK_target.pdbqt | data/3P/3PZE-CFK/3PZE-CFK_decoys.pdbqt | data/3P/3PZE-CFK/3PZE-CFK_decoy_scores.csv |
3PCB-3HB | data/3P/3PCB-3HB/3PCB-3HB_ligand.pdbqt | data/3P/3PCB-3HB/3PCB-3HB_target.pdbqt | data/3P/3PCB-3HB/3PCB-3HB_decoys.pdbqt | data/3P/3PCB-3HB/3PCB-3HB_decoy_scores.csv |
3P3S-3M2 | data/3P/3P3S-3M2/3P3S-3M2_ligand.pdbqt | data/3P/3P3S-3M2/3P3S-3M2_target.pdbqt | data/3P/3P3S-3M2/3P3S-3M2_decoys.pdbqt | data/3P/3P3S-3M2/3P3S-3M2_decoy_scores.csv |
3PN1-IVH | data/3P/3PN1-IVH/3PN1-IVH_ligand.pdbqt | data/3P/3PN1-IVH/3PN1-IVH_target.pdbqt | data/3P/3PN1-IVH/3PN1-IVH_decoys.pdbqt | data/3P/3PN1-IVH/3PN1-IVH_decoy_scores.csv |
3PJ8-404 | data/3P/3PJ8-404/3PJ8-404_ligand.pdbqt | data/3P/3PJ8-404/3PJ8-404_target.pdbqt | data/3P/3PJ8-404/3PJ8-404_decoys.pdbqt | data/3P/3PJ8-404/3PJ8-404_decoy_scores.csv |
3PVZ-NAD | data/3P/3PVZ-NAD/3PVZ-NAD_ligand.pdbqt | data/3P/3PVZ-NAD/3PVZ-NAD_target.pdbqt | data/3P/3PVZ-NAD/3PVZ-NAD_decoys.pdbqt | data/3P/3PVZ-NAD/3PVZ-NAD_decoy_scores.csv |
3P7Y-P7Y | data/3P/3P7Y-P7Y/3P7Y-P7Y_ligand.pdbqt | data/3P/3P7Y-P7Y/3P7Y-P7Y_target.pdbqt | data/3P/3P7Y-P7Y/3P7Y-P7Y_decoys.pdbqt | data/3P/3P7Y-P7Y/3P7Y-P7Y_decoy_scores.csv |
3P7B-P7B | data/3P/3P7B-P7B/3P7B-P7B_ligand.pdbqt | data/3P/3P7B-P7B/3P7B-P7B_target.pdbqt | data/3P/3P7B-P7B/3P7B-P7B_decoys.pdbqt | data/3P/3P7B-P7B/3P7B-P7B_decoy_scores.csv |
3PJJ-MZH | data/3P/3PJJ-MZH/3PJJ-MZH_ligand.pdbqt | data/3P/3PJJ-MZH/3PJJ-MZH_target.pdbqt | data/3P/3PJJ-MZH/3PJJ-MZH_decoys.pdbqt | data/3P/3PJJ-MZH/3PJJ-MZH_decoy_scores.csv |
3PBY-UP6 | data/3P/3PBY-UP6/3PBY-UP6_ligand.pdbqt | data/3P/3PBY-UP6/3PBY-UP6_target.pdbqt | data/3P/3PBY-UP6/3PBY-UP6_decoys.pdbqt | data/3P/3PBY-UP6/3PBY-UP6_decoy_scores.csv |
3PYM-NAD | data/3P/3PYM-NAD/3PYM-NAD_ligand.pdbqt | data/3P/3PYM-NAD/3PYM-NAD_target.pdbqt | data/3P/3PYM-NAD/3PYM-NAD_decoys.pdbqt | data/3P/3PYM-NAD/3PYM-NAD_decoy_scores.csv |
3P3T-3M3 | data/3P/3P3T-3M3/3P3T-3M3_ligand.pdbqt | data/3P/3P3T-3M3/3P3T-3M3_target.pdbqt | data/3P/3P3T-3M3/3P3T-3M3_decoys.pdbqt | data/3P/3P3T-3M3/3P3T-3M3_decoy_scores.csv |
4PSB-GA3 | data/4P/4PSB-GA3/4PSB-GA3_ligand.pdbqt | data/4P/4PSB-GA3/4PSB-GA3_target.pdbqt | data/4P/4PSB-GA3/4PSB-GA3_decoys.pdbqt | data/4P/4PSB-GA3/4PSB-GA3_decoy_scores.csv |
4PRV-ADP | data/4P/4PRV-ADP/4PRV-ADP_ligand.pdbqt | data/4P/4PRV-ADP/4PRV-ADP_target.pdbqt | data/4P/4PRV-ADP/4PRV-ADP_decoys.pdbqt | data/4P/4PRV-ADP/4PRV-ADP_decoy_scores.csv |
4PLD-CPS | data/4P/4PLD-CPS/4PLD-CPS_ligand.pdbqt | data/4P/4PLD-CPS/4PLD-CPS_target.pdbqt | data/4P/4PLD-CPS/4PLD-CPS_decoys.pdbqt | data/4P/4PLD-CPS/4PLD-CPS_decoy_scores.csv |
4PYO-SAH | data/4P/4PYO-SAH/4PYO-SAH_ligand.pdbqt | data/4P/4PYO-SAH/4PYO-SAH_target.pdbqt | data/4P/4PYO-SAH/4PYO-SAH_decoys.pdbqt | data/4P/4PYO-SAH/4PYO-SAH_decoy_scores.csv |
4PQN-2W6 | data/4P/4PQN-2W6/4PQN-2W6_ligand.pdbqt | data/4P/4PQN-2W6/4PQN-2W6_target.pdbqt | data/4P/4PQN-2W6/4PQN-2W6_decoys.pdbqt | data/4P/4PQN-2W6/4PQN-2W6_decoy_scores.csv |
4PLP-NAD | data/4P/4PLP-NAD/4PLP-NAD_ligand.pdbqt | data/4P/4PLP-NAD/4PLP-NAD_target.pdbqt | data/4P/4PLP-NAD/4PLP-NAD_decoys.pdbqt | data/4P/4PLP-NAD/4PLP-NAD_decoy_scores.csv |
4P0X-1WO | data/4P/4P0X-1WO/4P0X-1WO_ligand.pdbqt | data/4P/4P0X-1WO/4P0X-1WO_target.pdbqt | data/4P/4P0X-1WO/4P0X-1WO_decoys.pdbqt | data/4P/4P0X-1WO/4P0X-1WO_decoy_scores.csv |
4PHL-PIL | data/4P/4PHL-PIL/4PHL-PIL_ligand.pdbqt | data/4P/4PHL-PIL/4PHL-PIL_target.pdbqt | data/4P/4PHL-PIL/4PHL-PIL_decoys.pdbqt | data/4P/4PHL-PIL/4PHL-PIL_decoy_scores.csv |
4PZK-SAH | data/4P/4PZK-SAH/4PZK-SAH_ligand.pdbqt | data/4P/4PZK-SAH/4PZK-SAH_target.pdbqt | data/4P/4PZK-SAH/4PZK-SAH_decoys.pdbqt | data/4P/4PZK-SAH/4PZK-SAH_decoy_scores.csv |
4PV0-CG4 | data/4P/4PV0-CG4/4PV0-CG4_ligand.pdbqt | data/4P/4PV0-CG4/4PV0-CG4_target.pdbqt | data/4P/4PV0-CG4/4PV0-CG4_decoys.pdbqt | data/4P/4PV0-CG4/4PV0-CG4_decoy_scores.csv |
4PLC-NAI | data/4P/4PLC-NAI/4PLC-NAI_ligand.pdbqt | data/4P/4PLC-NAI/4PLC-NAI_target.pdbqt | data/4P/4PLC-NAI/4PLC-NAI_decoys.pdbqt | data/4P/4PLC-NAI/4PLC-NAI_decoy_scores.csv |
4PIO-AVI | data/4P/4PIO-AVI/4PIO-AVI_ligand.pdbqt | data/4P/4PIO-AVI/4PIO-AVI_target.pdbqt | data/4P/4PIO-AVI/4PIO-AVI_decoys.pdbqt | data/4P/4PIO-AVI/4PIO-AVI_decoy_scores.csv |
4PO5-CYC | data/4P/4PO5-CYC/4PO5-CYC_ligand.pdbqt | data/4P/4PO5-CYC/4PO5-CYC_target.pdbqt | data/4P/4PO5-CYC/4PO5-CYC_decoys.pdbqt | data/4P/4PO5-CYC/4PO5-CYC_decoy_scores.csv |
4POP-BNG | data/4P/4POP-BNG/4POP-BNG_ligand.pdbqt | data/4P/4POP-BNG/4POP-BNG_target.pdbqt | data/4P/4POP-BNG/4POP-BNG_decoys.pdbqt | data/4P/4POP-BNG/4POP-BNG_decoy_scores.csv |
4PG7-LYS | data/4P/4PG7-LYS/4PG7-LYS_ligand.pdbqt | data/4P/4PG7-LYS/4PG7-LYS_target.pdbqt | data/4P/4PG7-LYS/4PG7-LYS_decoys.pdbqt | data/4P/4PG7-LYS/4PG7-LYS_decoy_scores.csv |
4PIS-3FU | data/4P/4PIS-3FU/4PIS-3FU_ligand.pdbqt | data/4P/4PIS-3FU/4PIS-3FU_target.pdbqt | data/4P/4PIS-3FU/4PIS-3FU_decoys.pdbqt | data/4P/4PIS-3FU/4PIS-3FU_decoy_scores.csv |
4PAA-THG | data/4P/4PAA-THG/4PAA-THG_ligand.pdbqt | data/4P/4PAA-THG/4PAA-THG_target.pdbqt | data/4P/4PAA-THG/4PAA-THG_decoys.pdbqt | data/4P/4PAA-THG/4PAA-THG_decoy_scores.csv |
4PZ2-NAD | data/4P/4PZ2-NAD/4PZ2-NAD_ligand.pdbqt | data/4P/4PZ2-NAD/4PZ2-NAD_target.pdbqt | data/4P/4PZ2-NAD/4PZ2-NAD_decoys.pdbqt | data/4P/4PZ2-NAD/4PZ2-NAD_decoy_scores.csv |
4PXK-RET | data/4P/4PXK-RET/4PXK-RET_ligand.pdbqt | data/4P/4PXK-RET/4PXK-RET_target.pdbqt | data/4P/4PXK-RET/4PXK-RET_decoys.pdbqt | data/4P/4PXK-RET/4PXK-RET_decoy_scores.csv |
4PE7-ODN | data/4P/4PE7-ODN/4PE7-ODN_ligand.pdbqt | data/4P/4PE7-ODN/4PE7-ODN_target.pdbqt | data/4P/4PE7-ODN/4PE7-ODN_decoys.pdbqt | data/4P/4PE7-ODN/4PE7-ODN_decoy_scores.csv |
4PE4-REV | data/4P/4PE4-REV/4PE4-REV_ligand.pdbqt | data/4P/4PE4-REV/4PE4-REV_target.pdbqt | data/4P/4PE4-REV/4PE4-REV_decoys.pdbqt | data/4P/4PE4-REV/4PE4-REV_decoy_scores.csv |
4PL9-ADP | data/4P/4PL9-ADP/4PL9-ADP_ligand.pdbqt | data/4P/4PL9-ADP/4PL9-ADP_target.pdbqt | data/4P/4PL9-ADP/4PL9-ADP_decoys.pdbqt | data/4P/4PL9-ADP/4PL9-ADP_decoy_scores.csv |
4PCE-2N0 | data/4P/4PCE-2N0/4PCE-2N0_ligand.pdbqt | data/4P/4PCE-2N0/4PCE-2N0_target.pdbqt | data/4P/4PCE-2N0/4PCE-2N0_decoys.pdbqt | data/4P/4PCE-2N0/4PCE-2N0_decoy_scores.csv |
4PJK-ADP | data/4P/4PJK-ADP/4PJK-ADP_ligand.pdbqt | data/4P/4PJK-ADP/4PJK-ADP_target.pdbqt | data/4P/4PJK-ADP/4PJK-ADP_decoys.pdbqt | data/4P/4PJK-ADP/4PJK-ADP_decoy_scores.csv |
4PP5-2W0 | data/4P/4PP5-2W0/4PP5-2W0_ligand.pdbqt | data/4P/4PP5-2W0/4PP5-2W0_target.pdbqt | data/4P/4PP5-2W0/4PP5-2W0_decoys.pdbqt | data/4P/4PP5-2W0/4PP5-2W0_decoy_scores.csv |
4PHU-2YB | data/4P/4PHU-2YB/4PHU-2YB_ligand.pdbqt | data/4P/4PHU-2YB/4PHU-2YB_target.pdbqt | data/4P/4PHU-2YB/4PHU-2YB_decoys.pdbqt | data/4P/4PHU-2YB/4PHU-2YB_decoy_scores.csv |
4P5E-N6P | data/4P/4P5E-N6P/4P5E-N6P_ligand.pdbqt | data/4P/4P5E-N6P/4P5E-N6P_target.pdbqt | data/4P/4P5E-N6P/4P5E-N6P_decoys.pdbqt | data/4P/4P5E-N6P/4P5E-N6P_decoy_scores.csv |
4P32-ADP | data/4P/4P32-ADP/4P32-ADP_ligand.pdbqt | data/4P/4P32-ADP/4P32-ADP_target.pdbqt | data/4P/4P32-ADP/4P32-ADP_decoys.pdbqt | data/4P/4P32-ADP/4P32-ADP_decoy_scores.csv |
4PHS-UDP | data/4P/4PHS-UDP/4PHS-UDP_ligand.pdbqt | data/4P/4PHS-UDP/4PHS-UDP_target.pdbqt | data/4P/4PHS-UDP/4PHS-UDP_decoys.pdbqt | data/4P/4PHS-UDP/4PHS-UDP_decoy_scores.csv |
4PX5-S6P | data/4P/4PX5-S6P/4PX5-S6P_ligand.pdbqt | data/4P/4PX5-S6P/4PX5-S6P_target.pdbqt | data/4P/4PX5-S6P/4PX5-S6P_decoys.pdbqt | data/4P/4PX5-S6P/4PX5-S6P_decoy_scores.csv |
4P8M-2J3 | data/4P/4P8M-2J3/4P8M-2J3_ligand.pdbqt | data/4P/4P8M-2J3/4P8M-2J3_target.pdbqt | data/4P/4P8M-2J3/4P8M-2J3_decoys.pdbqt | data/4P/4P8M-2J3/4P8M-2J3_decoy_scores.csv |
4PGK-Y69 | data/4P/4PGK-Y69/4PGK-Y69_ligand.pdbqt | data/4P/4PGK-Y69/4PGK-Y69_target.pdbqt | data/4P/4PGK-Y69/4PGK-Y69_decoys.pdbqt | data/4P/4PGK-Y69/4PGK-Y69_decoy_scores.csv |
4PYY-V14 | data/4P/4PYY-V14/4PYY-V14_ligand.pdbqt | data/4P/4PYY-V14/4PYY-V14_target.pdbqt | data/4P/4PYY-V14/4PYY-V14_decoys.pdbqt | data/4P/4PYY-V14/4PYY-V14_decoy_scores.csv |
4PJ5-30W | data/4P/4PJ5-30W/4PJ5-30W_ligand.pdbqt | data/4P/4PJ5-30W/4PJ5-30W_target.pdbqt | data/4P/4PJ5-30W/4PJ5-30W_decoys.pdbqt | data/4P/4PJ5-30W/4PJ5-30W_decoy_scores.csv |
4P54-MTA | data/4P/4P54-MTA/4P54-MTA_ligand.pdbqt | data/4P/4P54-MTA/4P54-MTA_target.pdbqt | data/4P/4P54-MTA/4P54-MTA_decoys.pdbqt | data/4P/4P54-MTA/4P54-MTA_decoy_scores.csv |
4PJX-B3P | data/4P/4PJX-B3P/4PJX-B3P_ligand.pdbqt | data/4P/4PJX-B3P/4PJX-B3P_target.pdbqt | data/4P/4PJX-B3P/4PJX-B3P_decoys.pdbqt | data/4P/4PJX-B3P/4PJX-B3P_decoy_scores.csv |
4PP0-OP1 | data/4P/4PP0-OP1/4PP0-OP1_ligand.pdbqt | data/4P/4PP0-OP1/4PP0-OP1_target.pdbqt | data/4P/4PP0-OP1/4PP0-OP1_decoys.pdbqt | data/4P/4PP0-OP1/4PP0-OP1_decoy_scores.csv |
4PAN-GDP | data/4P/4PAN-GDP/4PAN-GDP_ligand.pdbqt | data/4P/4PAN-GDP/4PAN-GDP_target.pdbqt | data/4P/4PAN-GDP/4PAN-GDP_decoys.pdbqt | data/4P/4PAN-GDP/4PAN-GDP_decoy_scores.csv |
4PHR-UDP | data/4P/4PHR-UDP/4PHR-UDP_ligand.pdbqt | data/4P/4PHR-UDP/4PHR-UDP_target.pdbqt | data/4P/4PHR-UDP/4PHR-UDP_decoys.pdbqt | data/4P/4PHR-UDP/4PHR-UDP_decoy_scores.csv |
4P79-OLC | data/4P/4P79-OLC/4P79-OLC_ligand.pdbqt | data/4P/4P79-OLC/4P79-OLC_target.pdbqt | data/4P/4P79-OLC/4P79-OLC_decoys.pdbqt | data/4P/4P79-OLC/4P79-OLC_decoy_scores.csv |
4PLF-NAI | data/4P/4PLF-NAI/4PLF-NAI_ligand.pdbqt | data/4P/4PLF-NAI/4PLF-NAI_target.pdbqt | data/4P/4PLF-NAI/4PLF-NAI_decoys.pdbqt | data/4P/4PLF-NAI/4PLF-NAI_decoy_scores.csv |
4P8M-R58 | data/4P/4P8M-R58/4P8M-R58_ligand.pdbqt | data/4P/4P8M-R58/4P8M-R58_target.pdbqt | data/4P/4P8M-R58/4P8M-R58_decoys.pdbqt | data/4P/4P8M-R58/4P8M-R58_decoy_scores.csv |
4PAO-GSP | data/4P/4PAO-GSP/4PAO-GSP_ligand.pdbqt | data/4P/4PAO-GSP/4PAO-GSP_target.pdbqt | data/4P/4PAO-GSP/4PAO-GSP_decoys.pdbqt | data/4P/4PAO-GSP/4PAO-GSP_decoy_scores.csv |
4PBR-2L7 | data/4P/4PBR-2L7/4PBR-2L7_ligand.pdbqt | data/4P/4PBR-2L7/4PBR-2L7_target.pdbqt | data/4P/4PBR-2L7/4PBR-2L7_decoys.pdbqt | data/4P/4PBR-2L7/4PBR-2L7_decoy_scores.csv |
4PB5-BH2 | data/4P/4PB5-BH2/4PB5-BH2_ligand.pdbqt | data/4P/4PB5-BH2/4PB5-BH2_target.pdbqt | data/4P/4PB5-BH2/4PB5-BH2_decoys.pdbqt | data/4P/4PB5-BH2/4PB5-BH2_decoy_scores.csv |
4PC3-GDP | data/4P/4PC3-GDP/4PC3-GDP_ligand.pdbqt | data/4P/4PC3-GDP/4PC3-GDP_target.pdbqt | data/4P/4PC3-GDP/4PC3-GDP_decoys.pdbqt | data/4P/4PC3-GDP/4PC3-GDP_decoy_scores.csv |
4PLT-NAI | data/4P/4PLT-NAI/4PLT-NAI_ligand.pdbqt | data/4P/4PLT-NAI/4PLT-NAI_target.pdbqt | data/4P/4PLT-NAI/4PLT-NAI_decoys.pdbqt | data/4P/4PLT-NAI/4PLT-NAI_decoy_scores.csv |
4P6C-RES | data/4P/4P6C-RES/4P6C-RES_ligand.pdbqt | data/4P/4P6C-RES/4P6C-RES_target.pdbqt | data/4P/4P6C-RES/4P6C-RES_decoys.pdbqt | data/4P/4P6C-RES/4P6C-RES_decoy_scores.csv |
4PTJ-FOL | data/4P/4PTJ-FOL/4PTJ-FOL_ligand.pdbqt | data/4P/4PTJ-FOL/4PTJ-FOL_target.pdbqt | data/4P/4PTJ-FOL/4PTJ-FOL_decoys.pdbqt | data/4P/4PTJ-FOL/4PTJ-FOL_decoy_scores.csv |
4P01-1ZW | data/4P/4P01-1ZW/4P01-1ZW_ligand.pdbqt | data/4P/4P01-1ZW/4P01-1ZW_target.pdbqt | data/4P/4P01-1ZW/4P01-1ZW_decoys.pdbqt | data/4P/4P01-1ZW/4P01-1ZW_decoy_scores.csv |
4PLH-NAI | data/4P/4PLH-NAI/4PLH-NAI_ligand.pdbqt | data/4P/4PLH-NAI/4PLH-NAI_target.pdbqt | data/4P/4PLH-NAI/4PLH-NAI_decoys.pdbqt | data/4P/4PLH-NAI/4PLH-NAI_decoy_scores.csv |
4P7U-1PS | data/4P/4P7U-1PS/4P7U-1PS_ligand.pdbqt | data/4P/4P7U-1PS/4P7U-1PS_target.pdbqt | data/4P/4P7U-1PS/4P7U-1PS_decoys.pdbqt | data/4P/4P7U-1PS/4P7U-1PS_decoy_scores.csv |
4PV4-P6G | data/4P/4PV4-P6G/4PV4-P6G_ligand.pdbqt | data/4P/4PV4-P6G/4PV4-P6G_target.pdbqt | data/4P/4PV4-P6G/4PV4-P6G_decoys.pdbqt | data/4P/4PV4-P6G/4PV4-P6G_decoy_scores.csv |
4P6E-2FC | data/4P/4P6E-2FC/4P6E-2FC_ligand.pdbqt | data/4P/4P6E-2FC/4P6E-2FC_target.pdbqt | data/4P/4P6E-2FC/4P6E-2FC_decoys.pdbqt | data/4P/4P6E-2FC/4P6E-2FC_decoy_scores.csv |
4PRQ-P6G | data/4P/4PRQ-P6G/4PRQ-P6G_ligand.pdbqt | data/4P/4PRQ-P6G/4PRQ-P6G_target.pdbqt | data/4P/4PRQ-P6G/4PRQ-P6G_decoys.pdbqt | data/4P/4PRQ-P6G/4PRQ-P6G_decoy_scores.csv |
4PRQ-PG6 | data/4P/4PRQ-PG6/4PRQ-PG6_ligand.pdbqt | data/4P/4PRQ-PG6/4PRQ-PG6_target.pdbqt | data/4P/4PRQ-PG6/4PRQ-PG6_decoys.pdbqt | data/4P/4PRQ-PG6/4PRQ-PG6_decoy_scores.csv |
4P5Y-NGA | data/4P/4P5Y-NGA/4P5Y-NGA_ligand.pdbqt | data/4P/4P5Y-NGA/4P5Y-NGA_target.pdbqt | data/4P/4P5Y-NGA/4P5Y-NGA_decoys.pdbqt | data/4P/4P5Y-NGA/4P5Y-NGA_decoy_scores.csv |
4PJI-30W | data/4P/4PJI-30W/4PJI-30W_ligand.pdbqt | data/4P/4PJI-30W/4PJI-30W_target.pdbqt | data/4P/4PJI-30W/4PJI-30W_decoys.pdbqt | data/4P/4PJI-30W/4PJI-30W_decoy_scores.csv |
4PU0-FMN | data/4P/4PU0-FMN/4PU0-FMN_ligand.pdbqt | data/4P/4PU0-FMN/4PU0-FMN_target.pdbqt | data/4P/4PU0-FMN/4PU0-FMN_decoys.pdbqt | data/4P/4PU0-FMN/4PU0-FMN_decoy_scores.csv |
4POV-2VY | data/4P/4POV-2VY/4POV-2VY_ligand.pdbqt | data/4P/4POV-2VY/4POV-2VY_target.pdbqt | data/4P/4POV-2VY/4POV-2VY_decoys.pdbqt | data/4P/4POV-2VY/4POV-2VY_decoy_scores.csv |
4P4C-25Q | data/4P/4P4C-25Q/4P4C-25Q_ligand.pdbqt | data/4P/4P4C-25Q/4P4C-25Q_target.pdbqt | data/4P/4P4C-25Q/4P4C-25Q_decoys.pdbqt | data/4P/4P4C-25Q/4P4C-25Q_decoy_scores.csv |
4P0V-1WO | data/4P/4P0V-1WO/4P0V-1WO_ligand.pdbqt | data/4P/4P0V-1WO/4P0V-1WO_target.pdbqt | data/4P/4P0V-1WO/4P0V-1WO_decoys.pdbqt | data/4P/4P0V-1WO/4P0V-1WO_decoy_scores.csv |
4PSU-12P | data/4P/4PSU-12P/4PSU-12P_ligand.pdbqt | data/4P/4PSU-12P/4PSU-12P_target.pdbqt | data/4P/4PSU-12P/4PSU-12P_decoys.pdbqt | data/4P/4PSU-12P/4PSU-12P_decoy_scores.csv |
4PJ3-ANP | data/4P/4PJ3-ANP/4PJ3-ANP_ligand.pdbqt | data/4P/4PJ3-ANP/4PJ3-ANP_target.pdbqt | data/4P/4PJ3-ANP/4PJ3-ANP_decoys.pdbqt | data/4P/4PJ3-ANP/4PJ3-ANP_decoy_scores.csv |
4PZ0-PAV | data/4P/4PZ0-PAV/4PZ0-PAV_ligand.pdbqt | data/4P/4PZ0-PAV/4PZ0-PAV_target.pdbqt | data/4P/4PZ0-PAV/4PZ0-PAV_decoys.pdbqt | data/4P/4PZ0-PAV/4PZ0-PAV_decoy_scores.csv |
4P7C-BTB | data/4P/4P7C-BTB/4P7C-BTB_ligand.pdbqt | data/4P/4P7C-BTB/4P7C-BTB_target.pdbqt | data/4P/4P7C-BTB/4P7C-BTB_decoys.pdbqt | data/4P/4P7C-BTB/4P7C-BTB_decoy_scores.csv |
4PNU-2VD | data/4P/4PNU-2VD/4PNU-2VD_ligand.pdbqt | data/4P/4PNU-2VD/4PNU-2VD_target.pdbqt | data/4P/4PNU-2VD/4PNU-2VD_decoys.pdbqt | data/4P/4PNU-2VD/4PNU-2VD_decoy_scores.csv |
4PNE-SAH | data/4P/4PNE-SAH/4PNE-SAH_ligand.pdbqt | data/4P/4PNE-SAH/4PNE-SAH_target.pdbqt | data/4P/4PNE-SAH/4PNE-SAH_decoys.pdbqt | data/4P/4PNE-SAH/4PNE-SAH_decoy_scores.csv |
4PJH-30W | data/4P/4PJH-30W/4PJH-30W_ligand.pdbqt | data/4P/4PJH-30W/4PJH-30W_target.pdbqt | data/4P/4PJH-30W/4PJH-30W_decoys.pdbqt | data/4P/4PJH-30W/4PJH-30W_decoy_scores.csv |
4PR8-URC | data/4P/4PR8-URC/4PR8-URC_ligand.pdbqt | data/4P/4PR8-URC/4PR8-URC_target.pdbqt | data/4P/4PR8-URC/4PR8-URC_decoys.pdbqt | data/4P/4PR8-URC/4PR8-URC_decoy_scores.csv |
4PHK-2UB | data/4P/4PHK-2UB/4PHK-2UB_ligand.pdbqt | data/4P/4PHK-2UB/4PHK-2UB_target.pdbqt | data/4P/4PHK-2UB/4PHK-2UB_decoys.pdbqt | data/4P/4PHK-2UB/4PHK-2UB_decoy_scores.csv |
4P3Q-FOL | data/4P/4P3Q-FOL/4P3Q-FOL_ligand.pdbqt | data/4P/4P3Q-FOL/4P3Q-FOL_target.pdbqt | data/4P/4P3Q-FOL/4P3Q-FOL_decoys.pdbqt | data/4P/4P3Q-FOL/4P3Q-FOL_decoy_scores.csv |
4PBQ-2UF | data/4P/4PBQ-2UF/4PBQ-2UF_ligand.pdbqt | data/4P/4PBQ-2UF/4PBQ-2UF_target.pdbqt | data/4P/4PBQ-2UF/4PBQ-2UF_decoys.pdbqt | data/4P/4PBQ-2UF/4PBQ-2UF_decoy_scores.csv |
4PTX-BGC | data/4P/4PTX-BGC/4PTX-BGC_ligand.pdbqt | data/4P/4PTX-BGC/4PTX-BGC_target.pdbqt | data/4P/4PTX-BGC/4PTX-BGC_decoys.pdbqt | data/4P/4PTX-BGC/4PTX-BGC_decoy_scores.csv |
4PC9-CS2 | data/4P/4PC9-CS2/4PC9-CS2_ligand.pdbqt | data/4P/4PC9-CS2/4PC9-CS2_target.pdbqt | data/4P/4PC9-CS2/4PC9-CS2_decoys.pdbqt | data/4P/4PC9-CS2/4PC9-CS2_decoy_scores.csv |
4PLV-NAI | data/4P/4PLV-NAI/4PLV-NAI_ligand.pdbqt | data/4P/4PLV-NAI/4PLV-NAI_target.pdbqt | data/4P/4PLV-NAI/4PLV-NAI_decoys.pdbqt | data/4P/4PLV-NAI/4PLV-NAI_decoy_scores.csv |
4PY1-2YK | data/4P/4PY1-2YK/4PY1-2YK_ligand.pdbqt | data/4P/4PY1-2YK/4PY1-2YK_target.pdbqt | data/4P/4PY1-2YK/4PY1-2YK_decoys.pdbqt | data/4P/4PY1-2YK/4PY1-2YK_decoy_scores.csv |
4POV-BNG | data/4P/4POV-BNG/4POV-BNG_ligand.pdbqt | data/4P/4POV-BNG/4POV-BNG_target.pdbqt | data/4P/4POV-BNG/4POV-BNG_decoys.pdbqt | data/4P/4POV-BNG/4POV-BNG_decoy_scores.csv |
4PR4-2W8 | data/4P/4PR4-2W8/4PR4-2W8_ligand.pdbqt | data/4P/4PR4-2W8/4PR4-2W8_target.pdbqt | data/4P/4PR4-2W8/4PR4-2W8_decoys.pdbqt | data/4P/4PR4-2W8/4PR4-2W8_decoy_scores.csv |
4PCA-SAH | data/4P/4PCA-SAH/4PCA-SAH_ligand.pdbqt | data/4P/4PCA-SAH/4PCA-SAH_target.pdbqt | data/4P/4PCA-SAH/4PCA-SAH_decoys.pdbqt | data/4P/4PCA-SAH/4PCA-SAH_decoy_scores.csv |
4PL7-ATP | data/4P/4PL7-ATP/4PL7-ATP_ligand.pdbqt | data/4P/4PL7-ATP/4PL7-ATP_target.pdbqt | data/4P/4PL7-ATP/4PL7-ATP_decoys.pdbqt | data/4P/4PL7-ATP/4PL7-ATP_decoy_scores.csv |
4PNO-U5P | data/4P/4PNO-U5P/4PNO-U5P_ligand.pdbqt | data/4P/4PNO-U5P/4PNO-U5P_target.pdbqt | data/4P/4PNO-U5P/4PNO-U5P_decoys.pdbqt | data/4P/4PNO-U5P/4PNO-U5P_decoy_scores.csv |
4PXL-NAD | data/4P/4PXL-NAD/4PXL-NAD_ligand.pdbqt | data/4P/4PXL-NAD/4PXL-NAD_target.pdbqt | data/4P/4PXL-NAD/4PXL-NAD_decoys.pdbqt | data/4P/4PXL-NAD/4PXL-NAD_decoy_scores.csv |
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