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 ⌀ |
|---|---|---|---|---|
4PW4-2X0 | data/4P/4PW4-2X0/4PW4-2X0_ligand.pdbqt | data/4P/4PW4-2X0/4PW4-2X0_target.pdbqt | data/4P/4PW4-2X0/4PW4-2X0_decoys.pdbqt | data/4P/4PW4-2X0/4PW4-2X0_decoy_scores.csv |
4PJ7-2LJ | data/4P/4PJ7-2LJ/4PJ7-2LJ_ligand.pdbqt | data/4P/4PJ7-2LJ/4PJ7-2LJ_target.pdbqt | data/4P/4PJ7-2LJ/4PJ7-2LJ_decoys.pdbqt | data/4P/4PJ7-2LJ/4PJ7-2LJ_decoy_scores.csv |
4P42-EGC | data/4P/4P42-EGC/4P42-EGC_ligand.pdbqt | data/4P/4P42-EGC/4P42-EGC_target.pdbqt | data/4P/4P42-EGC/4P42-EGC_decoys.pdbqt | data/4P/4P42-EGC/4P42-EGC_decoy_scores.csv |
4PJC-B3P | data/4P/4PJC-B3P/4PJC-B3P_ligand.pdbqt | data/4P/4PJC-B3P/4PJC-B3P_target.pdbqt | data/4P/4PJC-B3P/4PJC-B3P_decoys.pdbqt | data/4P/4PJC-B3P/4PJC-B3P_decoy_scores.csv |
4PDZ-CTI | data/4P/4PDZ-CTI/4PDZ-CTI_ligand.pdbqt | data/4P/4PDZ-CTI/4PDZ-CTI_target.pdbqt | data/4P/4PDZ-CTI/4PDZ-CTI_decoys.pdbqt | data/4P/4PDZ-CTI/4PDZ-CTI_decoy_scores.csv |
4PAQ-GSP | data/4P/4PAQ-GSP/4PAQ-GSP_ligand.pdbqt | data/4P/4PAQ-GSP/4PAQ-GSP_target.pdbqt | data/4P/4PAQ-GSP/4PAQ-GSP_decoys.pdbqt | data/4P/4PAQ-GSP/4PAQ-GSP_decoy_scores.csv |
4P31-ADP | data/4P/4P31-ADP/4P31-ADP_ligand.pdbqt | data/4P/4P31-ADP/4P31-ADP_target.pdbqt | data/4P/4P31-ADP/4P31-ADP_decoys.pdbqt | data/4P/4P31-ADP/4P31-ADP_decoy_scores.csv |
4PML-3AB | data/4P/4PML-3AB/4PML-3AB_ligand.pdbqt | data/4P/4PML-3AB/4PML-3AB_target.pdbqt | data/4P/4PML-3AB/4PML-3AB_decoys.pdbqt | data/4P/4PML-3AB/4PML-3AB_decoy_scores.csv |
4PZZ-GDP | data/4P/4PZZ-GDP/4PZZ-GDP_ligand.pdbqt | data/4P/4PZZ-GDP/4PZZ-GDP_target.pdbqt | data/4P/4PZZ-GDP/4PZZ-GDP_decoys.pdbqt | data/4P/4PZZ-GDP/4PZZ-GDP_decoy_scores.csv |
4PKR-2ZL | data/4P/4PKR-2ZL/4PKR-2ZL_ligand.pdbqt | data/4P/4PKR-2ZL/4PKR-2ZL_target.pdbqt | data/4P/4PKR-2ZL/4PKR-2ZL_decoys.pdbqt | data/4P/4PKR-2ZL/4PKR-2ZL_decoy_scores.csv |
4P8E-5RP | data/4P/4P8E-5RP/4P8E-5RP_ligand.pdbqt | data/4P/4P8E-5RP/4P8E-5RP_target.pdbqt | data/4P/4P8E-5RP/4P8E-5RP_decoys.pdbqt | data/4P/4P8E-5RP/4P8E-5RP_decoy_scores.csv |
4PKT-30O | data/4P/4PKT-30O/4PKT-30O_ligand.pdbqt | data/4P/4PKT-30O/4PKT-30O_target.pdbqt | data/4P/4PKT-30O/4PKT-30O_decoys.pdbqt | data/4P/4PKT-30O/4PKT-30O_decoy_scores.csv |
4PZY-GDP | data/4P/4PZY-GDP/4PZY-GDP_ligand.pdbqt | data/4P/4PZY-GDP/4PZY-GDP_target.pdbqt | data/4P/4PZY-GDP/4PZY-GDP_decoys.pdbqt | data/4P/4PZY-GDP/4PZY-GDP_decoy_scores.csv |
4PF8-GTR | data/4P/4PF8-GTR/4PF8-GTR_ligand.pdbqt | data/4P/4PF8-GTR/4PF8-GTR_target.pdbqt | data/4P/4PF8-GTR/4PF8-GTR_decoys.pdbqt | data/4P/4PF8-GTR/4PF8-GTR_decoy_scores.csv |
4PHH-2UK | data/4P/4PHH-2UK/4PHH-2UK_ligand.pdbqt | data/4P/4PHH-2UK/4PHH-2UK_target.pdbqt | data/4P/4PHH-2UK/4PHH-2UK_decoys.pdbqt | data/4P/4PHH-2UK/4PHH-2UK_decoy_scores.csv |
4PAM-GDP | data/4P/4PAM-GDP/4PAM-GDP_ligand.pdbqt | data/4P/4PAM-GDP/4PAM-GDP_target.pdbqt | data/4P/4PAM-GDP/4PAM-GDP_decoys.pdbqt | data/4P/4PAM-GDP/4PAM-GDP_decoy_scores.csv |
4P7N-GCS | data/4P/4P7N-GCS/4P7N-GCS_ligand.pdbqt | data/4P/4P7N-GCS/4P7N-GCS_target.pdbqt | data/4P/4P7N-GCS/4P7N-GCS_decoys.pdbqt | data/4P/4P7N-GCS/4P7N-GCS_decoy_scores.csv |
4PKI-ATP | data/4P/4PKI-ATP/4PKI-ATP_ligand.pdbqt | data/4P/4PKI-ATP/4PKI-ATP_target.pdbqt | data/4P/4PKI-ATP/4PKI-ATP_decoys.pdbqt | data/4P/4PKI-ATP/4PKI-ATP_decoy_scores.csv |
4PYQ-2X1 | data/4P/4PYQ-2X1/4PYQ-2X1_ligand.pdbqt | data/4P/4PYQ-2X1/4PYQ-2X1_target.pdbqt | data/4P/4PYQ-2X1/4PYQ-2X1_decoys.pdbqt | data/4P/4PYQ-2X1/4PYQ-2X1_decoy_scores.csv |
4PHM-2UD | data/4P/4PHM-2UD/4PHM-2UD_ligand.pdbqt | data/4P/4PHM-2UD/4PHM-2UD_target.pdbqt | data/4P/4PHM-2UD/4PHM-2UD_decoys.pdbqt | data/4P/4PHM-2UD/4PHM-2UD_decoy_scores.csv |
4PU9-ADP | data/4P/4PU9-ADP/4PU9-ADP_ligand.pdbqt | data/4P/4PU9-ADP/4PU9-ADP_target.pdbqt | null | null |
4PAG-HIS | data/4P/4PAG-HIS/4PAG-HIS_ligand.pdbqt | data/4P/4PAG-HIS/4PAG-HIS_target.pdbqt | data/4P/4PAG-HIS/4PAG-HIS_decoys.pdbqt | data/4P/4PAG-HIS/4PAG-HIS_decoy_scores.csv |
4PEX-BGC | data/4P/4PEX-BGC/4PEX-BGC_ligand.pdbqt | data/4P/4PEX-BGC/4PEX-BGC_target.pdbqt | data/4P/4PEX-BGC/4PEX-BGC_decoys.pdbqt | data/4P/4PEX-BGC/4PEX-BGC_decoy_scores.csv |
4P6X-HCY | data/4P/4P6X-HCY/4P6X-HCY_ligand.pdbqt | data/4P/4P6X-HCY/4P6X-HCY_target.pdbqt | data/4P/4P6X-HCY/4P6X-HCY_decoys.pdbqt | data/4P/4P6X-HCY/4P6X-HCY_decoy_scores.csv |
4PX3-2WX | data/4P/4PX3-2WX/4PX3-2WX_ligand.pdbqt | data/4P/4PX3-2WX/4PX3-2WX_target.pdbqt | data/4P/4PX3-2WX/4PX3-2WX_decoys.pdbqt | data/4P/4PX3-2WX/4PX3-2WX_decoy_scores.csv |
4PWF-PWF | data/4P/4PWF-PWF/4PWF-PWF_ligand.pdbqt | data/4P/4PWF-PWF/4PWF-PWF_target.pdbqt | data/4P/4PWF-PWF/4PWF-PWF_decoys.pdbqt | data/4P/4PWF-PWF/4PWF-PWF_decoy_scores.csv |
4PNC-7NP | data/4P/4PNC-7NP/4PNC-7NP_ligand.pdbqt | data/4P/4PNC-7NP/4PNC-7NP_target.pdbqt | data/4P/4PNC-7NP/4PNC-7NP_decoys.pdbqt | data/4P/4PNC-7NP/4PNC-7NP_decoy_scores.csv |
4PFO-ADP | data/4P/4PFO-ADP/4PFO-ADP_ligand.pdbqt | data/4P/4PFO-ADP/4PFO-ADP_target.pdbqt | data/4P/4PFO-ADP/4PFO-ADP_decoys.pdbqt | data/4P/4PFO-ADP/4PFO-ADP_decoy_scores.csv |
4PEG-5GP | data/4P/4PEG-5GP/4PEG-5GP_ligand.pdbqt | data/4P/4PEG-5GP/4PEG-5GP_target.pdbqt | data/4P/4PEG-5GP/4PEG-5GP_decoys.pdbqt | data/4P/4PEG-5GP/4PEG-5GP_decoy_scores.csv |
4PQ9-BTB | data/4P/4PQ9-BTB/4PQ9-BTB_ligand.pdbqt | data/4P/4PQ9-BTB/4PQ9-BTB_target.pdbqt | data/4P/4PQ9-BTB/4PQ9-BTB_decoys.pdbqt | data/4P/4PQ9-BTB/4PQ9-BTB_decoy_scores.csv |
4PQ7-IL3 | data/4P/4PQ7-IL3/4PQ7-IL3_ligand.pdbqt | data/4P/4PQ7-IL3/4PQ7-IL3_target.pdbqt | data/4P/4PQ7-IL3/4PQ7-IL3_decoys.pdbqt | data/4P/4PQ7-IL3/4PQ7-IL3_decoy_scores.csv |
4P5B-BRU | data/4P/4P5B-BRU/4P5B-BRU_ligand.pdbqt | data/4P/4P5B-BRU/4P5B-BRU_target.pdbqt | data/4P/4P5B-BRU/4P5B-BRU_decoys.pdbqt | data/4P/4P5B-BRU/4P5B-BRU_decoy_scores.csv |
4PTU-RAM | data/4P/4PTU-RAM/4PTU-RAM_ligand.pdbqt | data/4P/4PTU-RAM/4PTU-RAM_target.pdbqt | data/4P/4PTU-RAM/4PTU-RAM_decoys.pdbqt | data/4P/4PTU-RAM/4PTU-RAM_decoy_scores.csv |
4P1R-2KR | data/4P/4P1R-2KR/4P1R-2KR_ligand.pdbqt | data/4P/4P1R-2KR/4P1R-2KR_target.pdbqt | data/4P/4P1R-2KR/4P1R-2KR_decoys.pdbqt | data/4P/4P1R-2KR/4P1R-2KR_decoy_scores.csv |
4PGI-Y69 | data/4P/4PGI-Y69/4PGI-Y69_ligand.pdbqt | data/4P/4PGI-Y69/4PGI-Y69_target.pdbqt | data/4P/4PGI-Y69/4PGI-Y69_decoys.pdbqt | data/4P/4PGI-Y69/4PGI-Y69_decoy_scores.csv |
4PVO-SVB | data/4P/4PVO-SVB/4PVO-SVB_ligand.pdbqt | data/4P/4PVO-SVB/4PVO-SVB_target.pdbqt | data/4P/4PVO-SVB/4PVO-SVB_decoys.pdbqt | data/4P/4PVO-SVB/4PVO-SVB_decoy_scores.csv |
4PPF-FLC | data/4P/4PPF-FLC/4PPF-FLC_ligand.pdbqt | data/4P/4PPF-FLC/4PPF-FLC_target.pdbqt | data/4P/4PPF-FLC/4PPF-FLC_decoys.pdbqt | data/4P/4PPF-FLC/4PPF-FLC_decoy_scores.csv |
4PKL-1GH | data/4P/4PKL-1GH/4PKL-1GH_ligand.pdbqt | data/4P/4PKL-1GH/4PKL-1GH_target.pdbqt | data/4P/4PKL-1GH/4PKL-1GH_decoys.pdbqt | data/4P/4PKL-1GH/4PKL-1GH_decoy_scores.csv |
4PF6-KDO | data/4P/4PF6-KDO/4PF6-KDO_ligand.pdbqt | data/4P/4PF6-KDO/4PF6-KDO_target.pdbqt | data/4P/4PF6-KDO/4PF6-KDO_decoys.pdbqt | data/4P/4PF6-KDO/4PF6-KDO_decoy_scores.csv |
4P68-MTX | data/4P/4P68-MTX/4P68-MTX_ligand.pdbqt | data/4P/4P68-MTX/4P68-MTX_target.pdbqt | data/4P/4P68-MTX/4P68-MTX_decoys.pdbqt | data/4P/4P68-MTX/4P68-MTX_decoy_scores.csv |
4POJ-2VP | data/4P/4POJ-2VP/4POJ-2VP_ligand.pdbqt | data/4P/4POJ-2VP/4POJ-2VP_target.pdbqt | data/4P/4POJ-2VP/4POJ-2VP_decoys.pdbqt | data/4P/4POJ-2VP/4POJ-2VP_decoy_scores.csv |
4PCS-2M7 | data/4P/4PCS-2M7/4PCS-2M7_ligand.pdbqt | data/4P/4PCS-2M7/4PCS-2M7_target.pdbqt | data/4P/4PCS-2M7/4PCS-2M7_decoys.pdbqt | data/4P/4PCS-2M7/4PCS-2M7_decoy_scores.csv |
4PGT-GBX | data/4P/4PGT-GBX/4PGT-GBX_ligand.pdbqt | data/4P/4PGT-GBX/4PGT-GBX_target.pdbqt | data/4P/4PGT-GBX/4PGT-GBX_decoys.pdbqt | data/4P/4PGT-GBX/4PGT-GBX_decoy_scores.csv |
4PO3-HY4 | data/4P/4PO3-HY4/4PO3-HY4_ligand.pdbqt | data/4P/4PO3-HY4/4PO3-HY4_target.pdbqt | data/4P/4PO3-HY4/4PO3-HY4_decoys.pdbqt | data/4P/4PO3-HY4/4PO3-HY4_decoy_scores.csv |
4P10-2B8 | data/4P/4P10-2B8/4P10-2B8_ligand.pdbqt | data/4P/4P10-2B8/4P10-2B8_target.pdbqt | data/4P/4P10-2B8/4P10-2B8_decoys.pdbqt | data/4P/4P10-2B8/4P10-2B8_decoy_scores.csv |
4PZV-J1D | data/4P/4PZV-J1D/4PZV-J1D_ligand.pdbqt | data/4P/4PZV-J1D/4PZV-J1D_target.pdbqt | data/4P/4PZV-J1D/4PZV-J1D_decoys.pdbqt | data/4P/4PZV-J1D/4PZV-J1D_decoy_scores.csv |
4PAF-DHB | data/4P/4PAF-DHB/4PAF-DHB_ligand.pdbqt | data/4P/4PAF-DHB/4PAF-DHB_target.pdbqt | data/4P/4PAF-DHB/4PAF-DHB_decoys.pdbqt | data/4P/4PAF-DHB/4PAF-DHB_decoy_scores.csv |
4PM1-ESZ | data/4P/4PM1-ESZ/4PM1-ESZ_ligand.pdbqt | data/4P/4PM1-ESZ/4PM1-ESZ_target.pdbqt | data/4P/4PM1-ESZ/4PM1-ESZ_decoys.pdbqt | data/4P/4PM1-ESZ/4PM1-ESZ_decoy_scores.csv |
4PE0-NQS | data/4P/4PE0-NQS/4PE0-NQS_ligand.pdbqt | data/4P/4PE0-NQS/4PE0-NQS_target.pdbqt | data/4P/4PE0-NQS/4PE0-NQS_decoys.pdbqt | data/4P/4PE0-NQS/4PE0-NQS_decoy_scores.csv |
4PPU-TYR | data/4P/4PPU-TYR/4PPU-TYR_ligand.pdbqt | data/4P/4PPU-TYR/4PPU-TYR_target.pdbqt | data/4P/4PPU-TYR/4PPU-TYR_decoys.pdbqt | data/4P/4PPU-TYR/4PPU-TYR_decoy_scores.csv |
4PTG-2WG | data/4P/4PTG-2WG/4PTG-2WG_ligand.pdbqt | data/4P/4PTG-2WG/4PTG-2WG_target.pdbqt | data/4P/4PTG-2WG/4PTG-2WG_decoys.pdbqt | data/4P/4PTG-2WG/4PTG-2WG_decoy_scores.csv |
4PNM-NU1 | data/4P/4PNM-NU1/4PNM-NU1_ligand.pdbqt | data/4P/4PNM-NU1/4PNM-NU1_target.pdbqt | data/4P/4PNM-NU1/4PNM-NU1_decoys.pdbqt | data/4P/4PNM-NU1/4PNM-NU1_decoy_scores.csv |
4PP3-2VZ | data/4P/4PP3-2VZ/4PP3-2VZ_ligand.pdbqt | data/4P/4PP3-2VZ/4PP3-2VZ_target.pdbqt | data/4P/4PP3-2VZ/4PP3-2VZ_decoys.pdbqt | data/4P/4PP3-2VZ/4PP3-2VZ_decoy_scores.csv |
4PVY-JD1 | data/4P/4PVY-JD1/4PVY-JD1_ligand.pdbqt | data/4P/4PVY-JD1/4PVY-JD1_target.pdbqt | data/4P/4PVY-JD1/4PVY-JD1_decoys.pdbqt | data/4P/4PVY-JD1/4PVY-JD1_decoy_scores.csv |
4P33-ATP | data/4P/4P33-ATP/4P33-ATP_ligand.pdbqt | data/4P/4P33-ATP/4P33-ATP_target.pdbqt | data/4P/4P33-ATP/4P33-ATP_decoys.pdbqt | data/4P/4P33-ATP/4P33-ATP_decoy_scores.csv |
4PG1-Y39 | data/4P/4PG1-Y39/4PG1-Y39_ligand.pdbqt | data/4P/4PG1-Y39/4PG1-Y39_target.pdbqt | data/4P/4PG1-Y39/4PG1-Y39_decoys.pdbqt | data/4P/4PG1-Y39/4PG1-Y39_decoy_scores.csv |
4PIP-SAH | data/4P/4PIP-SAH/4PIP-SAH_ligand.pdbqt | data/4P/4PIP-SAH/4PIP-SAH_target.pdbqt | data/4P/4PIP-SAH/4PIP-SAH_decoys.pdbqt | data/4P/4PIP-SAH/4PIP-SAH_decoy_scores.csv |
4PXD-1AL | data/4P/4PXD-1AL/4PXD-1AL_ligand.pdbqt | data/4P/4PXD-1AL/4PXD-1AL_target.pdbqt | data/4P/4PXD-1AL/4PXD-1AL_decoys.pdbqt | data/4P/4PXD-1AL/4PXD-1AL_decoy_scores.csv |
4PZH-V13 | data/4P/4PZH-V13/4PZH-V13_ligand.pdbqt | data/4P/4PZH-V13/4PZH-V13_target.pdbqt | data/4P/4PZH-V13/4PZH-V13_decoys.pdbqt | data/4P/4PZH-V13/4PZH-V13_decoy_scores.csv |
4PMT-31Y | data/4P/4PMT-31Y/4PMT-31Y_ligand.pdbqt | data/4P/4PMT-31Y/4PMT-31Y_target.pdbqt | data/4P/4PMT-31Y/4PMT-31Y_decoys.pdbqt | data/4P/4PMT-31Y/4PMT-31Y_decoy_scores.csv |
4PJ9-2LJ | data/4P/4PJ9-2LJ/4PJ9-2LJ_ligand.pdbqt | data/4P/4PJ9-2LJ/4PJ9-2LJ_target.pdbqt | data/4P/4PJ9-2LJ/4PJ9-2LJ_decoys.pdbqt | data/4P/4PJ9-2LJ/4PJ9-2LJ_decoy_scores.csv |
4P1L-BDP | data/4P/4P1L-BDP/4P1L-BDP_ligand.pdbqt | data/4P/4P1L-BDP/4P1L-BDP_target.pdbqt | data/4P/4P1L-BDP/4P1L-BDP_decoys.pdbqt | data/4P/4P1L-BDP/4P1L-BDP_decoy_scores.csv |
4PHW-2W1 | data/4P/4PHW-2W1/4PHW-2W1_ligand.pdbqt | data/4P/4PHW-2W1/4PHW-2W1_target.pdbqt | data/4P/4PHW-2W1/4PHW-2W1_decoys.pdbqt | data/4P/4PHW-2W1/4PHW-2W1_decoy_scores.csv |
4PFK-F6P | data/4P/4PFK-F6P/4PFK-F6P_ligand.pdbqt | data/4P/4PFK-F6P/4PFK-F6P_target.pdbqt | data/4P/4PFK-F6P/4PFK-F6P_decoys.pdbqt | data/4P/4PFK-F6P/4PFK-F6P_decoy_scores.csv |
4P66-MTX | data/4P/4P66-MTX/4P66-MTX_ligand.pdbqt | data/4P/4P66-MTX/4P66-MTX_target.pdbqt | data/4P/4P66-MTX/4P66-MTX_decoys.pdbqt | data/4P/4P66-MTX/4P66-MTX_decoy_scores.csv |
4PAK-PAF | data/4P/4PAK-PAF/4PAK-PAF_ligand.pdbqt | data/4P/4PAK-PAF/4PAK-PAF_target.pdbqt | data/4P/4PAK-PAF/4PAK-PAF_decoys.pdbqt | data/4P/4PAK-PAF/4PAK-PAF_decoy_scores.csv |
4P14-ADE | data/4P/4P14-ADE/4P14-ADE_ligand.pdbqt | data/4P/4P14-ADE/4P14-ADE_target.pdbqt | data/4P/4P14-ADE/4P14-ADE_decoys.pdbqt | data/4P/4P14-ADE/4P14-ADE_decoy_scores.csv |
4PNQ-32X | data/4P/4PNQ-32X/4PNQ-32X_ligand.pdbqt | data/4P/4PNQ-32X/4PNQ-32X_target.pdbqt | data/4P/4PNQ-32X/4PNQ-32X_decoys.pdbqt | data/4P/4PNQ-32X/4PNQ-32X_decoy_scores.csv |
4PBT-P4G | data/4P/4PBT-P4G/4PBT-P4G_ligand.pdbqt | data/4P/4PBT-P4G/4PBT-P4G_target.pdbqt | data/4P/4PBT-P4G/4PBT-P4G_decoys.pdbqt | data/4P/4PBT-P4G/4PBT-P4G_decoy_scores.csv |
4PX2-2WY | data/4P/4PX2-2WY/4PX2-2WY_ligand.pdbqt | data/4P/4PX2-2WY/4PX2-2WY_target.pdbqt | data/4P/4PX2-2WY/4PX2-2WY_decoys.pdbqt | data/4P/4PX2-2WY/4PX2-2WY_decoy_scores.csv |
4PUK-2WU | data/4P/4PUK-2WU/4PUK-2WU_ligand.pdbqt | data/4P/4PUK-2WU/4PUK-2WU_target.pdbqt | data/4P/4PUK-2WU/4PUK-2WU_decoys.pdbqt | data/4P/4PUK-2WU/4PUK-2WU_decoy_scores.csv |
4PIO-SAH | data/4P/4PIO-SAH/4PIO-SAH_ligand.pdbqt | data/4P/4PIO-SAH/4PIO-SAH_target.pdbqt | data/4P/4PIO-SAH/4PIO-SAH_decoys.pdbqt | data/4P/4PIO-SAH/4PIO-SAH_decoy_scores.csv |
4PN2-XYP | data/4P/4PN2-XYP/4PN2-XYP_ligand.pdbqt | data/4P/4PN2-XYP/4PN2-XYP_target.pdbqt | data/4P/4PN2-XYP/4PN2-XYP_decoys.pdbqt | data/4P/4PN2-XYP/4PN2-XYP_decoy_scores.csv |
4PHV-VAC | data/4P/4PHV-VAC/4PHV-VAC_ligand.pdbqt | data/4P/4PHV-VAC/4PHV-VAC_target.pdbqt | data/4P/4PHV-VAC/4PHV-VAC_decoys.pdbqt | data/4P/4PHV-VAC/4PHV-VAC_decoy_scores.csv |
4PEE-2OX | data/4P/4PEE-2OX/4PEE-2OX_ligand.pdbqt | data/4P/4PEE-2OX/4PEE-2OX_target.pdbqt | data/4P/4PEE-2OX/4PEE-2OX_decoys.pdbqt | data/4P/4PEE-2OX/4PEE-2OX_decoy_scores.csv |
4PLZ-NAI | data/4P/4PLZ-NAI/4PLZ-NAI_ligand.pdbqt | data/4P/4PLZ-NAI/4PLZ-NAI_target.pdbqt | data/4P/4PLZ-NAI/4PLZ-NAI_decoys.pdbqt | data/4P/4PLZ-NAI/4PLZ-NAI_decoy_scores.csv |
4PGL-SOL | data/4P/4PGL-SOL/4PGL-SOL_ligand.pdbqt | data/4P/4PGL-SOL/4PGL-SOL_target.pdbqt | data/4P/4PGL-SOL/4PGL-SOL_decoys.pdbqt | data/4P/4PGL-SOL/4PGL-SOL_decoy_scores.csv |
4PUZ-CG9 | data/4P/4PUZ-CG9/4PUZ-CG9_ligand.pdbqt | data/4P/4PUZ-CG9/4PUZ-CG9_target.pdbqt | data/4P/4PUZ-CG9/4PUZ-CG9_decoys.pdbqt | data/4P/4PUZ-CG9/4PUZ-CG9_decoy_scores.csv |
4P4G-SKM | data/4P/4P4G-SKM/4P4G-SKM_ligand.pdbqt | data/4P/4P4G-SKM/4P4G-SKM_target.pdbqt | data/4P/4P4G-SKM/4P4G-SKM_decoys.pdbqt | data/4P/4P4G-SKM/4P4G-SKM_decoy_scores.csv |
4PXK-LFA | data/4P/4PXK-LFA/4PXK-LFA_ligand.pdbqt | data/4P/4PXK-LFA/4PXK-LFA_target.pdbqt | data/4P/4PXK-LFA/4PXK-LFA_decoys.pdbqt | data/4P/4PXK-LFA/4PXK-LFA_decoy_scores.csv |
4PBT-2LQ | data/4P/4PBT-2LQ/4PBT-2LQ_ligand.pdbqt | data/4P/4PBT-2LQ/4PBT-2LQ_target.pdbqt | data/4P/4PBT-2LQ/4PBT-2LQ_decoys.pdbqt | data/4P/4PBT-2LQ/4PBT-2LQ_decoy_scores.csv |
4PYL-SFG | data/4P/4PYL-SFG/4PYL-SFG_ligand.pdbqt | data/4P/4PYL-SFG/4PYL-SFG_target.pdbqt | data/4P/4PYL-SFG/4PYL-SFG_decoys.pdbqt | data/4P/4PYL-SFG/4PYL-SFG_decoy_scores.csv |
4PJZ-T55 | data/4P/4PJZ-T55/4PJZ-T55_ligand.pdbqt | data/4P/4PJZ-T55/4PJZ-T55_target.pdbqt | data/4P/4PJZ-T55/4PJZ-T55_decoys.pdbqt | data/4P/4PJZ-T55/4PJZ-T55_decoy_scores.csv |
4P90-2K0 | data/4P/4P90-2K0/4P90-2K0_ligand.pdbqt | data/4P/4P90-2K0/4P90-2K0_target.pdbqt | data/4P/4P90-2K0/4P90-2K0_decoys.pdbqt | data/4P/4P90-2K0/4P90-2K0_decoy_scores.csv |
4P3H-25G | data/4P/4P3H-25G/4P3H-25G_ligand.pdbqt | data/4P/4P3H-25G/4P3H-25G_target.pdbqt | data/4P/4P3H-25G/4P3H-25G_decoys.pdbqt | data/4P/4P3H-25G/4P3H-25G_decoy_scores.csv |
4P7X-CXS | data/4P/4P7X-CXS/4P7X-CXS_ligand.pdbqt | data/4P/4P7X-CXS/4P7X-CXS_target.pdbqt | data/4P/4P7X-CXS/4P7X-CXS_decoys.pdbqt | data/4P/4P7X-CXS/4P7X-CXS_decoy_scores.csv |
4PBG-BGP | data/4P/4PBG-BGP/4PBG-BGP_ligand.pdbqt | data/4P/4PBG-BGP/4PBG-BGP_target.pdbqt | data/4P/4PBG-BGP/4PBG-BGP_decoys.pdbqt | data/4P/4PBG-BGP/4PBG-BGP_decoy_scores.csv |
4PYL-TCW | data/4P/4PYL-TCW/4PYL-TCW_ligand.pdbqt | data/4P/4PYL-TCW/4PYL-TCW_target.pdbqt | data/4P/4PYL-TCW/4PYL-TCW_decoys.pdbqt | data/4P/4PYL-TCW/4PYL-TCW_decoy_scores.csv |
4PQG-UDP | data/4P/4PQG-UDP/4PQG-UDP_ligand.pdbqt | data/4P/4PQG-UDP/4PQG-UDP_target.pdbqt | data/4P/4PQG-UDP/4PQG-UDP_decoys.pdbqt | data/4P/4PQG-UDP/4PQG-UDP_decoy_scores.csv |
4PNS-32Y | data/4P/4PNS-32Y/4PNS-32Y_ligand.pdbqt | data/4P/4PNS-32Y/4PNS-32Y_target.pdbqt | data/4P/4PNS-32Y/4PNS-32Y_decoys.pdbqt | data/4P/4PNS-32Y/4PNS-32Y_decoy_scores.csv |
4P6S-DAH | data/4P/4P6S-DAH/4P6S-DAH_ligand.pdbqt | data/4P/4P6S-DAH/4P6S-DAH_target.pdbqt | data/4P/4P6S-DAH/4P6S-DAH_decoys.pdbqt | data/4P/4P6S-DAH/4P6S-DAH_decoy_scores.csv |
4PNG-GSF | data/4P/4PNG-GSF/4PNG-GSF_ligand.pdbqt | data/4P/4PNG-GSF/4PNG-GSF_target.pdbqt | data/4P/4PNG-GSF/4PNG-GSF_decoys.pdbqt | data/4P/4PNG-GSF/4PNG-GSF_decoy_scores.csv |
4PJG-30W | data/4P/4PJG-30W/4PJG-30W_ligand.pdbqt | data/4P/4PJG-30W/4PJG-30W_target.pdbqt | data/4P/4PJG-30W/4PJG-30W_decoys.pdbqt | data/4P/4PJG-30W/4PJG-30W_decoy_scores.csv |
4PLW-NAI | data/4P/4PLW-NAI/4PLW-NAI_ligand.pdbqt | data/4P/4PLW-NAI/4PLW-NAI_target.pdbqt | data/4P/4PLW-NAI/4PLW-NAI_decoys.pdbqt | data/4P/4PLW-NAI/4PLW-NAI_decoy_scores.csv |
4PJL-ADP | data/4P/4PJL-ADP/4PJL-ADP_ligand.pdbqt | data/4P/4PJL-ADP/4PJL-ADP_target.pdbqt | data/4P/4PJL-ADP/4PJL-ADP_decoys.pdbqt | data/4P/4PJL-ADP/4PJL-ADP_decoy_scores.csv |
4PX9-ADP | data/4P/4PX9-ADP/4PX9-ADP_ligand.pdbqt | data/4P/4PX9-ADP/4PX9-ADP_target.pdbqt | data/4P/4PX9-ADP/4PX9-ADP_decoys.pdbqt | data/4P/4PX9-ADP/4PX9-ADP_decoy_scores.csv |
4PWJ-30Z | data/4P/4PWJ-30Z/4PWJ-30Z_ligand.pdbqt | data/4P/4PWJ-30Z/4PWJ-30Z_target.pdbqt | data/4P/4PWJ-30Z/4PWJ-30Z_decoys.pdbqt | data/4P/4PWJ-30Z/4PWJ-30Z_decoy_scores.csv |
4PY6-R78 | data/4P/4PY6-R78/4PY6-R78_ligand.pdbqt | data/4P/4PY6-R78/4PY6-R78_target.pdbqt | data/4P/4PY6-R78/4PY6-R78_decoys.pdbqt | data/4P/4PY6-R78/4PY6-R78_decoy_scores.csv |
4POP-2VY | data/4P/4POP-2VY/4POP-2VY_ligand.pdbqt | data/4P/4POP-2VY/4POP-2VY_target.pdbqt | data/4P/4POP-2VY/4POP-2VY_decoys.pdbqt | data/4P/4POP-2VY/4POP-2VY_decoy_scores.csv |
4P8L-36C | data/4P/4P8L-36C/4P8L-36C_ligand.pdbqt | data/4P/4P8L-36C/4P8L-36C_target.pdbqt | data/4P/4P8L-36C/4P8L-36C_decoys.pdbqt | data/4P/4P8L-36C/4P8L-36C_decoy_scores.csv |
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