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 ⌀ |
|---|---|---|---|---|
3TD8-D2R | data/3T/3TD8-D2R/3TD8-D2R_ligand.pdbqt | data/3T/3TD8-D2R/3TD8-D2R_target.pdbqt | data/3T/3TD8-D2R/3TD8-D2R_decoys.pdbqt | data/3T/3TD8-D2R/3TD8-D2R_decoy_scores.csv |
3TYE-XTZ | data/3T/3TYE-XTZ/3TYE-XTZ_ligand.pdbqt | data/3T/3TYE-XTZ/3TYE-XTZ_target.pdbqt | data/3T/3TYE-XTZ/3TYE-XTZ_decoys.pdbqt | data/3T/3TYE-XTZ/3TYE-XTZ_decoy_scores.csv |
3T84-SG6 | data/3T/3T84-SG6/3T84-SG6_ligand.pdbqt | data/3T/3T84-SG6/3T84-SG6_target.pdbqt | data/3T/3T84-SG6/3T84-SG6_decoys.pdbqt | data/3T/3T84-SG6/3T84-SG6_decoy_scores.csv |
3TU9-5MM | data/3T/3TU9-5MM/3TU9-5MM_ligand.pdbqt | data/3T/3TU9-5MM/3TU9-5MM_target.pdbqt | data/3T/3TU9-5MM/3TU9-5MM_decoys.pdbqt | data/3T/3TU9-5MM/3TU9-5MM_decoy_scores.csv |
3T10-ACP | data/3T/3T10-ACP/3T10-ACP_ligand.pdbqt | data/3T/3T10-ACP/3T10-ACP_target.pdbqt | data/3T/3T10-ACP/3T10-ACP_decoys.pdbqt | data/3T/3T10-ACP/3T10-ACP_decoy_scores.csv |
3T7P-7SP | data/3T/3T7P-7SP/3T7P-7SP_ligand.pdbqt | data/3T/3T7P-7SP/3T7P-7SP_target.pdbqt | data/3T/3T7P-7SP/3T7P-7SP_decoys.pdbqt | data/3T/3T7P-7SP/3T7P-7SP_decoy_scores.csv |
3TZF-08D | data/3T/3TZF-08D/3TZF-08D_ligand.pdbqt | data/3T/3TZF-08D/3TZF-08D_target.pdbqt | data/3T/3TZF-08D/3TZF-08D_decoys.pdbqt | data/3T/3TZF-08D/3TZF-08D_decoy_scores.csv |
3TP0-FO5 | data/3T/3TP0-FO5/3TP0-FO5_ligand.pdbqt | data/3T/3TP0-FO5/3TP0-FO5_target.pdbqt | data/3T/3TP0-FO5/3TP0-FO5_decoys.pdbqt | data/3T/3TP0-FO5/3TP0-FO5_decoy_scores.csv |
3T7T-SAH | data/3T/3T7T-SAH/3T7T-SAH_ligand.pdbqt | data/3T/3T7T-SAH/3T7T-SAH_target.pdbqt | data/3T/3T7T-SAH/3T7T-SAH_decoys.pdbqt | data/3T/3T7T-SAH/3T7T-SAH_decoy_scores.csv |
3T3E-GPQ | data/3T/3T3E-GPQ/3T3E-GPQ_ligand.pdbqt | data/3T/3T3E-GPQ/3T3E-GPQ_target.pdbqt | data/3T/3T3E-GPQ/3T3E-GPQ_decoys.pdbqt | data/3T/3T3E-GPQ/3T3E-GPQ_decoy_scores.csv |
3TYV-HI3 | data/3T/3TYV-HI3/3TYV-HI3_ligand.pdbqt | data/3T/3TYV-HI3/3TYV-HI3_target.pdbqt | data/3T/3TYV-HI3/3TYV-HI3_decoys.pdbqt | data/3T/3TYV-HI3/3TYV-HI3_decoy_scores.csv |
3TYL-AXW | data/3T/3TYL-AXW/3TYL-AXW_ligand.pdbqt | data/3T/3TYL-AXW/3TYL-AXW_target.pdbqt | data/3T/3TYL-AXW/3TYL-AXW_decoys.pdbqt | data/3T/3TYL-AXW/3TYL-AXW_decoy_scores.csv |
3T6D-LDA | data/3T/3T6D-LDA/3T6D-LDA_ligand.pdbqt | data/3T/3T6D-LDA/3T6D-LDA_target.pdbqt | data/3T/3T6D-LDA/3T6D-LDA_decoys.pdbqt | data/3T/3T6D-LDA/3T6D-LDA_decoy_scores.csv |
3T31-DCQ | data/3T/3T31-DCQ/3T31-DCQ_ligand.pdbqt | data/3T/3T31-DCQ/3T31-DCQ_target.pdbqt | data/3T/3T31-DCQ/3T31-DCQ_decoys.pdbqt | data/3T/3T31-DCQ/3T31-DCQ_decoy_scores.csv |
3TA2-ATP | data/3T/3TA2-ATP/3TA2-ATP_ligand.pdbqt | data/3T/3TA2-ATP/3TA2-ATP_target.pdbqt | data/3T/3TA2-ATP/3TA2-ATP_decoys.pdbqt | data/3T/3TA2-ATP/3TA2-ATP_decoy_scores.csv |
3TKM-GW0 | data/3T/3TKM-GW0/3TKM-GW0_ligand.pdbqt | data/3T/3TKM-GW0/3TKM-GW0_target.pdbqt | data/3T/3TKM-GW0/3TKM-GW0_decoys.pdbqt | data/3T/3TKM-GW0/3TKM-GW0_decoy_scores.csv |
3TCZ-PE4 | data/3T/3TCZ-PE4/3TCZ-PE4_ligand.pdbqt | data/3T/3TCZ-PE4/3TCZ-PE4_target.pdbqt | data/3T/3TCZ-PE4/3TCZ-PE4_decoys.pdbqt | data/3T/3TCZ-PE4/3TCZ-PE4_decoy_scores.csv |
3T7O-UPG | data/3T/3T7O-UPG/3T7O-UPG_ligand.pdbqt | data/3T/3T7O-UPG/3T7O-UPG_target.pdbqt | data/3T/3T7O-UPG/3T7O-UPG_decoys.pdbqt | data/3T/3T7O-UPG/3T7O-UPG_decoy_scores.csv |
3T3G-GPU | data/3T/3T3G-GPU/3T3G-GPU_ligand.pdbqt | data/3T/3T3G-GPU/3T3G-GPU_target.pdbqt | data/3T/3T3G-GPU/3T3G-GPU_decoys.pdbqt | data/3T/3T3G-GPU/3T3G-GPU_decoy_scores.csv |
3T74-UBY | data/3T/3T74-UBY/3T74-UBY_ligand.pdbqt | data/3T/3T74-UBY/3T74-UBY_target.pdbqt | data/3T/3T74-UBY/3T74-UBY_decoys.pdbqt | data/3T/3T74-UBY/3T74-UBY_decoy_scores.csv |
3T7O-GLC | data/3T/3T7O-GLC/3T7O-GLC_ligand.pdbqt | data/3T/3T7O-GLC/3T7O-GLC_target.pdbqt | data/3T/3T7O-GLC/3T7O-GLC_decoys.pdbqt | data/3T/3T7O-GLC/3T7O-GLC_decoy_scores.csv |
3THQ-NUP | data/3T/3THQ-NUP/3THQ-NUP_ligand.pdbqt | data/3T/3THQ-NUP/3THQ-NUP_target.pdbqt | data/3T/3THQ-NUP/3THQ-NUP_decoys.pdbqt | data/3T/3THQ-NUP/3THQ-NUP_decoy_scores.csv |
3TRN-UMP | data/3T/3TRN-UMP/3TRN-UMP_ligand.pdbqt | data/3T/3TRN-UMP/3TRN-UMP_target.pdbqt | data/3T/3TRN-UMP/3TRN-UMP_decoys.pdbqt | data/3T/3TRN-UMP/3TRN-UMP_decoy_scores.csv |
3T3C-017 | data/3T/3T3C-017/3T3C-017_ligand.pdbqt | data/3T/3T3C-017/3T3C-017_target.pdbqt | data/3T/3T3C-017/3T3C-017_decoys.pdbqt | data/3T/3T3C-017/3T3C-017_decoy_scores.csv |
3TIZ-3TI | data/3T/3TIZ-3TI/3TIZ-3TI_ligand.pdbqt | data/3T/3TIZ-3TI/3TIZ-3TI_target.pdbqt | data/3T/3TIZ-3TI/3TIZ-3TI_decoys.pdbqt | data/3T/3TIZ-3TI/3TIZ-3TI_decoy_scores.csv |
3T0W-DIW | data/3T/3T0W-DIW/3T0W-DIW_ligand.pdbqt | data/3T/3T0W-DIW/3T0W-DIW_target.pdbqt | data/3T/3T0W-DIW/3T0W-DIW_decoys.pdbqt | data/3T/3T0W-DIW/3T0W-DIW_decoy_scores.csv |
3T0X-DIW | data/3T/3T0X-DIW/3T0X-DIW_ligand.pdbqt | data/3T/3T0X-DIW/3T0X-DIW_target.pdbqt | data/3T/3T0X-DIW/3T0X-DIW_decoys.pdbqt | data/3T/3T0X-DIW/3T0X-DIW_decoy_scores.csv |
3THR-C2F | data/3T/3THR-C2F/3THR-C2F_ligand.pdbqt | data/3T/3THR-C2F/3THR-C2F_target.pdbqt | data/3T/3THR-C2F/3THR-C2F_decoys.pdbqt | data/3T/3THR-C2F/3THR-C2F_decoy_scores.csv |
3T9V-CNI | data/3T/3T9V-CNI/3T9V-CNI_ligand.pdbqt | data/3T/3T9V-CNI/3T9V-CNI_target.pdbqt | data/3T/3T9V-CNI/3T9V-CNI_decoys.pdbqt | data/3T/3T9V-CNI/3T9V-CNI_decoy_scores.csv |
3T34-GDP | data/3T/3T34-GDP/3T34-GDP_ligand.pdbqt | data/3T/3T34-GDP/3T34-GDP_target.pdbqt | null | null |
3TQ3-UMP | data/3T/3TQ3-UMP/3TQ3-UMP_ligand.pdbqt | data/3T/3TQ3-UMP/3TQ3-UMP_target.pdbqt | data/3T/3TQ3-UMP/3TQ3-UMP_decoys.pdbqt | data/3T/3TQ3-UMP/3TQ3-UMP_decoy_scores.csv |
3THE-BCN | data/3T/3THE-BCN/3THE-BCN_ligand.pdbqt | data/3T/3THE-BCN/3THE-BCN_target.pdbqt | data/3T/3THE-BCN/3THE-BCN_decoys.pdbqt | data/3T/3THE-BCN/3THE-BCN_decoy_scores.csv |
3TDB-PE4 | data/3T/3TDB-PE4/3TDB-PE4_ligand.pdbqt | data/3T/3TDB-PE4/3TDB-PE4_target.pdbqt | data/3T/3TDB-PE4/3TDB-PE4_decoys.pdbqt | data/3T/3TDB-PE4/3TDB-PE4_decoy_scores.csv |
3S9U-5DR | data/3S/3S9U-5DR/3S9U-5DR_ligand.pdbqt | data/3S/3S9U-5DR/3S9U-5DR_target.pdbqt | data/3S/3S9U-5DR/3S9U-5DR_decoys.pdbqt | data/3S/3S9U-5DR/3S9U-5DR_decoy_scores.csv |
3SAC-AF8 | data/3S/3SAC-AF8/3SAC-AF8_ligand.pdbqt | data/3S/3SAC-AF8/3SAC-AF8_target.pdbqt | data/3S/3SAC-AF8/3SAC-AF8_decoys.pdbqt | data/3S/3SAC-AF8/3SAC-AF8_decoy_scores.csv |
3SJI-AG7 | data/3S/3SJI-AG7/3SJI-AG7_ligand.pdbqt | data/3S/3SJI-AG7/3SJI-AG7_target.pdbqt | data/3S/3SJI-AG7/3SJI-AG7_decoys.pdbqt | data/3S/3SJI-AG7/3SJI-AG7_decoy_scores.csv |
3SX8-GAL | data/3S/3SX8-GAL/3SX8-GAL_ligand.pdbqt | data/3S/3SX8-GAL/3SX8-GAL_target.pdbqt | data/3S/3SX8-GAL/3SX8-GAL_decoys.pdbqt | data/3S/3SX8-GAL/3SX8-GAL_decoy_scores.csv |
3SZW-LMT | data/3S/3SZW-LMT/3SZW-LMT_ligand.pdbqt | data/3S/3SZW-LMT/3SZW-LMT_target.pdbqt | data/3S/3SZW-LMT/3SZW-LMT_decoys.pdbqt | data/3S/3SZW-LMT/3SZW-LMT_decoy_scores.csv |
3SZ1-KNA | data/3S/3SZ1-KNA/3SZ1-KNA_ligand.pdbqt | data/3S/3SZ1-KNA/3SZ1-KNA_target.pdbqt | data/3S/3SZ1-KNA/3SZ1-KNA_decoys.pdbqt | data/3S/3SZ1-KNA/3SZ1-KNA_decoy_scores.csv |
3SH0-SAX | data/3S/3SH0-SAX/3SH0-SAX_ligand.pdbqt | data/3S/3SH0-SAX/3SH0-SAX_target.pdbqt | data/3S/3SH0-SAX/3SH0-SAX_decoys.pdbqt | data/3S/3SH0-SAX/3SH0-SAX_decoy_scores.csv |
3SBH-E65 | data/3S/3SBH-E65/3SBH-E65_ligand.pdbqt | data/3S/3SBH-E65/3SBH-E65_target.pdbqt | data/3S/3SBH-E65/3SBH-E65_decoys.pdbqt | data/3S/3SBH-E65/3SBH-E65_decoy_scores.csv |
3SV8-SV6 | data/3S/3SV8-SV6/3SV8-SV6_ligand.pdbqt | data/3S/3SV8-SV6/3SV8-SV6_target.pdbqt | data/3S/3SV8-SV6/3SV8-SV6_decoys.pdbqt | data/3S/3SV8-SV6/3SV8-SV6_decoy_scores.csv |
3SJ3-BMP | data/3S/3SJ3-BMP/3SJ3-BMP_ligand.pdbqt | data/3S/3SJ3-BMP/3SJ3-BMP_target.pdbqt | data/3S/3SJ3-BMP/3SJ3-BMP_decoys.pdbqt | data/3S/3SJ3-BMP/3SJ3-BMP_decoy_scores.csv |
3SVP-H4B | data/3S/3SVP-H4B/3SVP-H4B_ligand.pdbqt | data/3S/3SVP-H4B/3SVP-H4B_target.pdbqt | data/3S/3SVP-H4B/3SVP-H4B_decoys.pdbqt | data/3S/3SVP-H4B/3SVP-H4B_decoy_scores.csv |
3SII-A1R | data/3S/3SII-A1R/3SII-A1R_ligand.pdbqt | data/3S/3SII-A1R/3SII-A1R_target.pdbqt | data/3S/3SII-A1R/3SII-A1R_decoys.pdbqt | data/3S/3SII-A1R/3SII-A1R_decoy_scores.csv |
3STU-DKA | data/3S/3STU-DKA/3STU-DKA_ligand.pdbqt | data/3S/3STU-DKA/3STU-DKA_target.pdbqt | data/3S/3STU-DKA/3STU-DKA_decoys.pdbqt | data/3S/3STU-DKA/3STU-DKA_decoy_scores.csv |
3SY4-LMT | data/3S/3SY4-LMT/3SY4-LMT_ligand.pdbqt | data/3S/3SY4-LMT/3SY4-LMT_target.pdbqt | data/3S/3SY4-LMT/3SY4-LMT_decoys.pdbqt | data/3S/3SY4-LMT/3SY4-LMT_decoy_scores.csv |
3STD-MQ0 | data/3S/3STD-MQ0/3STD-MQ0_ligand.pdbqt | data/3S/3STD-MQ0/3STD-MQ0_target.pdbqt | data/3S/3STD-MQ0/3STD-MQ0_decoys.pdbqt | data/3S/3STD-MQ0/3STD-MQ0_decoy_scores.csv |
3SPC-P8P | data/3S/3SPC-P8P/3SPC-P8P_ligand.pdbqt | data/3S/3SPC-P8P/3SPC-P8P_target.pdbqt | data/3S/3SPC-P8P/3SPC-P8P_decoys.pdbqt | data/3S/3SPC-P8P/3SPC-P8P_decoy_scores.csv |
3S23-CER | data/3S/3S23-CER/3S23-CER_ligand.pdbqt | data/3S/3S23-CER/3S23-CER_target.pdbqt | null | null |
3SXB-UDP | data/3S/3SXB-UDP/3SXB-UDP_ligand.pdbqt | data/3S/3SXB-UDP/3SXB-UDP_target.pdbqt | data/3S/3SXB-UDP/3SXB-UDP_decoys.pdbqt | data/3S/3SXB-UDP/3SXB-UDP_decoy_scores.csv |
3SHE-I85 | data/3S/3SHE-I85/3SHE-I85_ligand.pdbqt | data/3S/3SHE-I85/3SHE-I85_target.pdbqt | data/3S/3SHE-I85/3SHE-I85_decoys.pdbqt | data/3S/3SHE-I85/3SHE-I85_decoy_scores.csv |
3S1Y-S1Y | data/3S/3S1Y-S1Y/3S1Y-S1Y_ligand.pdbqt | data/3S/3S1Y-S1Y/3S1Y-S1Y_target.pdbqt | data/3S/3S1Y-S1Y/3S1Y-S1Y_decoys.pdbqt | data/3S/3S1Y-S1Y/3S1Y-S1Y_decoy_scores.csv |
3S22-3S2 | data/3S/3S22-3S2/3S22-3S2_ligand.pdbqt | data/3S/3S22-3S2/3S22-3S2_target.pdbqt | data/3S/3S22-3S2/3S22-3S2_decoys.pdbqt | data/3S/3S22-3S2/3S22-3S2_decoy_scores.csv |
3S9Y-FNU | data/3S/3S9Y-FNU/3S9Y-FNU_ligand.pdbqt | data/3S/3S9Y-FNU/3S9Y-FNU_target.pdbqt | data/3S/3S9Y-FNU/3S9Y-FNU_decoys.pdbqt | data/3S/3S9Y-FNU/3S9Y-FNU_decoy_scores.csv |
3S9Z-I92 | data/3S/3S9Z-I92/3S9Z-I92_ligand.pdbqt | data/3S/3S9Z-I92/3S9Z-I92_target.pdbqt | data/3S/3S9Z-I92/3S9Z-I92_decoys.pdbqt | data/3S/3S9Z-I92/3S9Z-I92_decoy_scores.csv |
3SAO-NKN | data/3S/3SAO-NKN/3SAO-NKN_ligand.pdbqt | data/3S/3SAO-NKN/3SAO-NKN_target.pdbqt | data/3S/3SAO-NKN/3SAO-NKN_decoys.pdbqt | data/3S/3SAO-NKN/3SAO-NKN_decoy_scores.csv |
3SVG-ODR | data/3S/3SVG-ODR/3SVG-ODR_ligand.pdbqt | data/3S/3SVG-ODR/3SVG-ODR_target.pdbqt | data/3S/3SVG-ODR/3SVG-ODR_decoys.pdbqt | data/3S/3SVG-ODR/3SVG-ODR_decoy_scores.csv |
3SA5-A69 | data/3S/3SA5-A69/3SA5-A69_ligand.pdbqt | data/3S/3SA5-A69/3SA5-A69_target.pdbqt | data/3S/3SA5-A69/3SA5-A69_decoys.pdbqt | data/3S/3SA5-A69/3SA5-A69_decoy_scores.csv |
3SAX-E50 | data/3S/3SAX-E50/3SAX-E50_ligand.pdbqt | data/3S/3SAX-E50/3SAX-E50_target.pdbqt | data/3S/3SAX-E50/3SAX-E50_decoys.pdbqt | data/3S/3SAX-E50/3SAX-E50_decoy_scores.csv |
3SH3-XMM | data/3S/3SH3-XMM/3SH3-XMM_ligand.pdbqt | data/3S/3SH3-XMM/3SH3-XMM_target.pdbqt | data/3S/3SH3-XMM/3SH3-XMM_decoys.pdbqt | data/3S/3SH3-XMM/3SH3-XMM_decoy_scores.csv |
3SH9-CEF | data/3S/3SH9-CEF/3SH9-CEF_ligand.pdbqt | data/3S/3SH9-CEF/3SH9-CEF_target.pdbqt | data/3S/3SH9-CEF/3SH9-CEF_decoys.pdbqt | data/3S/3SH9-CEF/3SH9-CEF_decoy_scores.csv |
3SVL-FMN | data/3S/3SVL-FMN/3SVL-FMN_ligand.pdbqt | data/3S/3SVL-FMN/3SVL-FMN_target.pdbqt | data/3S/3SVL-FMN/3SVL-FMN_decoys.pdbqt | data/3S/3SVL-FMN/3SVL-FMN_decoy_scores.csv |
3SOV-FUC | data/3S/3SOV-FUC/3SOV-FUC_ligand.pdbqt | data/3S/3SOV-FUC/3SOV-FUC_target.pdbqt | data/3S/3SOV-FUC/3SOV-FUC_decoys.pdbqt | data/3S/3SOV-FUC/3SOV-FUC_decoy_scores.csv |
3S2P-PMU | data/3S/3S2P-PMU/3S2P-PMU_ligand.pdbqt | data/3S/3S2P-PMU/3S2P-PMU_target.pdbqt | data/3S/3S2P-PMU/3S2P-PMU_decoys.pdbqt | data/3S/3S2P-PMU/3S2P-PMU_decoy_scores.csv |
3SZG-AMP | data/3S/3SZG-AMP/3SZG-AMP_ligand.pdbqt | data/3S/3SZG-AMP/3SZG-AMP_target.pdbqt | data/3S/3SZG-AMP/3SZG-AMP_decoys.pdbqt | data/3S/3SZG-AMP/3SZG-AMP_decoy_scores.csv |
3SK2-GRI | data/3S/3SK2-GRI/3SK2-GRI_ligand.pdbqt | data/3S/3SK2-GRI/3SK2-GRI_target.pdbqt | data/3S/3SK2-GRI/3SK2-GRI_decoys.pdbqt | data/3S/3SK2-GRI/3SK2-GRI_decoy_scores.csv |
3SJH-ATP | data/3S/3SJH-ATP/3SJH-ATP_ligand.pdbqt | data/3S/3SJH-ATP/3SJH-ATP_target.pdbqt | data/3S/3SJH-ATP/3SJH-ATP_decoys.pdbqt | data/3S/3SJH-ATP/3SJH-ATP_decoy_scores.csv |
3SE2-3AB | data/3S/3SE2-3AB/3SE2-3AB_ligand.pdbqt | data/3S/3SE2-3AB/3SE2-3AB_target.pdbqt | data/3S/3SE2-3AB/3SE2-3AB_decoys.pdbqt | data/3S/3SE2-3AB/3SE2-3AB_decoy_scores.csv |
3STY-DKA | data/3S/3STY-DKA/3STY-DKA_ligand.pdbqt | data/3S/3STY-DKA/3STY-DKA_target.pdbqt | data/3S/3STY-DKA/3STY-DKA_decoys.pdbqt | data/3S/3STY-DKA/3STY-DKA_decoy_scores.csv |
3SFF-0DI | data/3S/3SFF-0DI/3SFF-0DI_ligand.pdbqt | data/3S/3SFF-0DI/3SFF-0DI_target.pdbqt | data/3S/3SFF-0DI/3SFF-0DI_decoys.pdbqt | data/3S/3SFF-0DI/3SFF-0DI_decoy_scores.csv |
3SX6-LMT | data/3S/3SX6-LMT/3SX6-LMT_ligand.pdbqt | data/3S/3SX6-LMT/3SX6-LMT_target.pdbqt | data/3S/3SX6-LMT/3SX6-LMT_decoys.pdbqt | data/3S/3SX6-LMT/3SX6-LMT_decoy_scores.csv |
3SZ0-LMT | data/3S/3SZ0-LMT/3SZ0-LMT_ligand.pdbqt | data/3S/3SZ0-LMT/3SZ0-LMT_target.pdbqt | data/3S/3SZ0-LMT/3SZ0-LMT_decoys.pdbqt | data/3S/3SZ0-LMT/3SZ0-LMT_decoy_scores.csv |
3S1D-ZIR | data/3S/3S1D-ZIR/3S1D-ZIR_ligand.pdbqt | data/3S/3S1D-ZIR/3S1D-ZIR_target.pdbqt | data/3S/3S1D-ZIR/3S1D-ZIR_decoys.pdbqt | data/3S/3S1D-ZIR/3S1D-ZIR_decoy_scores.csv |
3SGT-P09 | data/3S/3SGT-P09/3SGT-P09_ligand.pdbqt | data/3S/3SGT-P09/3SGT-P09_target.pdbqt | data/3S/3SGT-P09/3SGT-P09_decoys.pdbqt | data/3S/3SGT-P09/3SGT-P09_decoy_scores.csv |
3S71-EVD | data/3S/3S71-EVD/3S71-EVD_ligand.pdbqt | data/3S/3S71-EVD/3S71-EVD_target.pdbqt | data/3S/3S71-EVD/3S71-EVD_decoys.pdbqt | data/3S/3S71-EVD/3S71-EVD_decoy_scores.csv |
3SQG-P6G | data/3S/3SQG-P6G/3SQG-P6G_ligand.pdbqt | data/3S/3SQG-P6G/3SQG-P6G_target.pdbqt | data/3S/3SQG-P6G/3SQG-P6G_decoys.pdbqt | data/3S/3SQG-P6G/3SQG-P6G_decoy_scores.csv |
3SMO-FJA | data/3S/3SMO-FJA/3SMO-FJA_ligand.pdbqt | data/3S/3SMO-FJA/3SMO-FJA_target.pdbqt | data/3S/3SMO-FJA/3SMO-FJA_decoys.pdbqt | data/3S/3SMO-FJA/3SMO-FJA_decoy_scores.csv |
3SOR-O58 | data/3S/3SOR-O58/3SOR-O58_ligand.pdbqt | data/3S/3SOR-O58/3SOR-O58_target.pdbqt | data/3S/3SOR-O58/3SOR-O58_decoys.pdbqt | data/3S/3SOR-O58/3SOR-O58_decoy_scores.csv |
3SFV-GDP | data/3S/3SFV-GDP/3SFV-GDP_ligand.pdbqt | data/3S/3SFV-GDP/3SFV-GDP_target.pdbqt | data/3S/3SFV-GDP/3SFV-GDP_decoys.pdbqt | data/3S/3SFV-GDP/3SFV-GDP_decoy_scores.csv |
3SZN-G75 | data/3S/3SZN-G75/3SZN-G75_ligand.pdbqt | data/3S/3SZN-G75/3SZN-G75_target.pdbqt | data/3S/3SZN-G75/3SZN-G75_decoys.pdbqt | data/3S/3SZN-G75/3SZN-G75_decoy_scores.csv |
3SIG-AR6 | data/3S/3SIG-AR6/3SIG-AR6_ligand.pdbqt | data/3S/3SIG-AR6/3SIG-AR6_target.pdbqt | data/3S/3SIG-AR6/3SIG-AR6_decoys.pdbqt | data/3S/3SIG-AR6/3SIG-AR6_decoy_scores.csv |
3SWC-SAH | data/3S/3SWC-SAH/3SWC-SAH_ligand.pdbqt | data/3S/3SWC-SAH/3SWC-SAH_target.pdbqt | data/3S/3SWC-SAH/3SWC-SAH_decoys.pdbqt | data/3S/3SWC-SAH/3SWC-SAH_decoy_scores.csv |
3SI7-ATP | data/3S/3SI7-ATP/3SI7-ATP_ligand.pdbqt | data/3S/3SI7-ATP/3SI7-ATP_target.pdbqt | data/3S/3SI7-ATP/3SI7-ATP_decoys.pdbqt | data/3S/3SI7-ATP/3SI7-ATP_decoy_scores.csv |
3SOM-5AD | data/3S/3SOM-5AD/3SOM-5AD_ligand.pdbqt | data/3S/3SOM-5AD/3SOM-5AD_target.pdbqt | data/3S/3SOM-5AD/3SOM-5AD_decoys.pdbqt | data/3S/3SOM-5AD/3SOM-5AD_decoy_scores.csv |
3S68-SAM | data/3S/3S68-SAM/3S68-SAM_ligand.pdbqt | data/3S/3S68-SAM/3S68-SAM_target.pdbqt | data/3S/3S68-SAM/3S68-SAM_decoys.pdbqt | data/3S/3S68-SAM/3S68-SAM_decoy_scores.csv |
3SDT-AHD | data/3S/3SDT-AHD/3SDT-AHD_ligand.pdbqt | data/3S/3SDT-AHD/3SDT-AHD_target.pdbqt | data/3S/3SDT-AHD/3SDT-AHD_decoys.pdbqt | data/3S/3SDT-AHD/3SDT-AHD_decoy_scores.csv |
3S3I-CQ0 | data/3S/3S3I-CQ0/3S3I-CQ0_ligand.pdbqt | data/3S/3S3I-CQ0/3S3I-CQ0_target.pdbqt | data/3S/3S3I-CQ0/3S3I-CQ0_decoys.pdbqt | data/3S/3S3I-CQ0/3S3I-CQ0_decoy_scores.csv |
3S19-PRF | data/3S/3S19-PRF/3S19-PRF_ligand.pdbqt | data/3S/3S19-PRF/3S19-PRF_target.pdbqt | data/3S/3S19-PRF/3S19-PRF_decoys.pdbqt | data/3S/3S19-PRF/3S19-PRF_decoy_scores.csv |
3SKY-MPO | data/3S/3SKY-MPO/3SKY-MPO_ligand.pdbqt | data/3S/3SKY-MPO/3SKY-MPO_target.pdbqt | data/3S/3SKY-MPO/3SKY-MPO_decoys.pdbqt | data/3S/3SKY-MPO/3SKY-MPO_decoy_scores.csv |
3SMN-FC7 | data/3S/3SMN-FC7/3SMN-FC7_ligand.pdbqt | data/3S/3SMN-FC7/3SMN-FC7_target.pdbqt | data/3S/3SMN-FC7/3SMN-FC7_decoys.pdbqt | data/3S/3SMN-FC7/3SMN-FC7_decoy_scores.csv |
3SA4-F72 | data/3S/3SA4-F72/3SA4-F72_ligand.pdbqt | data/3S/3SA4-F72/3SA4-F72_target.pdbqt | data/3S/3SA4-F72/3SA4-F72_decoys.pdbqt | data/3S/3SA4-F72/3SA4-F72_decoy_scores.csv |
3SLB-CPS | data/3S/3SLB-CPS/3SLB-CPS_ligand.pdbqt | data/3S/3SLB-CPS/3SLB-CPS_target.pdbqt | data/3S/3SLB-CPS/3SLB-CPS_decoys.pdbqt | data/3S/3SLB-CPS/3SLB-CPS_decoy_scores.csv |
3SRR-Q20 | data/3S/3SRR-Q20/3SRR-Q20_ligand.pdbqt | data/3S/3SRR-Q20/3SRR-Q20_target.pdbqt | data/3S/3SRR-Q20/3SRR-Q20_decoys.pdbqt | data/3S/3SRR-Q20/3SRR-Q20_decoy_scores.csv |
3SV7-SV6 | data/3S/3SV7-SV6/3SV7-SV6_ligand.pdbqt | data/3S/3SV7-SV6/3SV7-SV6_target.pdbqt | data/3S/3SV7-SV6/3SV7-SV6_decoys.pdbqt | data/3S/3SV7-SV6/3SV7-SV6_decoy_scores.csv |
3SXF-BK5 | data/3S/3SXF-BK5/3SXF-BK5_ligand.pdbqt | data/3S/3SXF-BK5/3SXF-BK5_target.pdbqt | data/3S/3SXF-BK5/3SXF-BK5_decoys.pdbqt | data/3S/3SXF-BK5/3SXF-BK5_decoy_scores.csv |
3SSN-MVI | data/3S/3SSN-MVI/3SSN-MVI_ligand.pdbqt | data/3S/3SSN-MVI/3SSN-MVI_target.pdbqt | data/3S/3SSN-MVI/3SSN-MVI_decoys.pdbqt | data/3S/3SSN-MVI/3SSN-MVI_decoy_scores.csv |
3SXG-UDP | data/3S/3SXG-UDP/3SXG-UDP_ligand.pdbqt | data/3S/3SXG-UDP/3SXG-UDP_target.pdbqt | data/3S/3SXG-UDP/3SXG-UDP_decoys.pdbqt | data/3S/3SXG-UDP/3SXG-UDP_decoy_scores.csv |
3SW7-19K | data/3S/3SW7-19K/3SW7-19K_ligand.pdbqt | data/3S/3SW7-19K/3SW7-19K_target.pdbqt | data/3S/3SW7-19K/3SW7-19K_decoys.pdbqt | data/3S/3SW7-19K/3SW7-19K_decoy_scores.csv |
3STK-PLM | data/3S/3STK-PLM/3STK-PLM_ligand.pdbqt | data/3S/3STK-PLM/3STK-PLM_target.pdbqt | data/3S/3STK-PLM/3STK-PLM_decoys.pdbqt | data/3S/3STK-PLM/3STK-PLM_decoy_scores.csv |
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