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 ⌀ |
|---|---|---|---|---|
4G88-API | data/4G/4G88-API/4G88-API_ligand.pdbqt | data/4G/4G88-API/4G88-API_target.pdbqt | data/4G/4G88-API/4G88-API_decoys.pdbqt | data/4G/4G88-API/4G88-API_decoy_scores.csv |
4GWK-3PG | data/4G/4GWK-3PG/4GWK-3PG_ligand.pdbqt | data/4G/4GWK-3PG/4GWK-3PG_target.pdbqt | data/4G/4GWK-3PG/4GWK-3PG_decoys.pdbqt | data/4G/4GWK-3PG/4GWK-3PG_decoy_scores.csv |
4GHR-ITE | data/4G/4GHR-ITE/4GHR-ITE_ligand.pdbqt | data/4G/4GHR-ITE/4GHR-ITE_target.pdbqt | data/4G/4GHR-ITE/4GHR-ITE_decoys.pdbqt | data/4G/4GHR-ITE/4GHR-ITE_decoy_scores.csv |
4G7A-AZM | data/4G/4G7A-AZM/4G7A-AZM_ligand.pdbqt | data/4G/4G7A-AZM/4G7A-AZM_target.pdbqt | data/4G/4G7A-AZM/4G7A-AZM_decoys.pdbqt | data/4G/4G7A-AZM/4G7A-AZM_decoy_scores.csv |
4GYU-P6G | data/4G/4GYU-P6G/4GYU-P6G_ligand.pdbqt | data/4G/4GYU-P6G/4GYU-P6G_target.pdbqt | data/4G/4GYU-P6G/4GYU-P6G_decoys.pdbqt | data/4G/4GYU-P6G/4GYU-P6G_decoy_scores.csv |
4GPF-BLA | data/4G/4GPF-BLA/4GPF-BLA_ligand.pdbqt | data/4G/4GPF-BLA/4GPF-BLA_target.pdbqt | data/4G/4GPF-BLA/4GPF-BLA_decoys.pdbqt | data/4G/4GPF-BLA/4GPF-BLA_decoy_scores.csv |
4GOX-A3P | data/4G/4GOX-A3P/4GOX-A3P_ligand.pdbqt | data/4G/4GOX-A3P/4GOX-A3P_target.pdbqt | data/4G/4GOX-A3P/4GOX-A3P_decoys.pdbqt | data/4G/4GOX-A3P/4GOX-A3P_decoy_scores.csv |
4GUH-3DS | data/4G/4GUH-3DS/4GUH-3DS_ligand.pdbqt | data/4G/4GUH-3DS/4GUH-3DS_target.pdbqt | data/4G/4GUH-3DS/4GUH-3DS_decoys.pdbqt | data/4G/4GUH-3DS/4GUH-3DS_decoy_scores.csv |
4GCH-DMC | data/4G/4GCH-DMC/4GCH-DMC_ligand.pdbqt | data/4G/4GCH-DMC/4GCH-DMC_target.pdbqt | data/4G/4GCH-DMC/4GCH-DMC_decoys.pdbqt | data/4G/4GCH-DMC/4GCH-DMC_decoy_scores.csv |
4GPC-ASC | data/4G/4GPC-ASC/4GPC-ASC_ligand.pdbqt | data/4G/4GPC-ASC/4GPC-ASC_target.pdbqt | data/4G/4GPC-ASC/4GPC-ASC_decoys.pdbqt | data/4G/4GPC-ASC/4GPC-ASC_decoy_scores.csv |
4GSS-GTX | data/4G/4GSS-GTX/4GSS-GTX_ligand.pdbqt | data/4G/4GSS-GTX/4GSS-GTX_target.pdbqt | data/4G/4GSS-GTX/4GSS-GTX_decoys.pdbqt | data/4G/4GSS-GTX/4GSS-GTX_decoy_scores.csv |
4GKM-683 | data/4G/4GKM-683/4GKM-683_ligand.pdbqt | data/4G/4GKM-683/4GKM-683_target.pdbqt | data/4G/4GKM-683/4GKM-683_decoys.pdbqt | data/4G/4GKM-683/4GKM-683_decoy_scores.csv |
4GRB-0XG | data/4G/4GRB-0XG/4GRB-0XG_ligand.pdbqt | data/4G/4GRB-0XG/4GRB-0XG_target.pdbqt | data/4G/4GRB-0XG/4GRB-0XG_decoys.pdbqt | data/4G/4GRB-0XG/4GRB-0XG_decoy_scores.csv |
4GTD-UMP | data/4G/4GTD-UMP/4GTD-UMP_ligand.pdbqt | data/4G/4GTD-UMP/4GTD-UMP_target.pdbqt | data/4G/4GTD-UMP/4GTD-UMP_decoys.pdbqt | data/4G/4GTD-UMP/4GTD-UMP_decoy_scores.csv |
4GBP-GAL | data/4G/4GBP-GAL/4GBP-GAL_ligand.pdbqt | data/4G/4GBP-GAL/4GBP-GAL_target.pdbqt | data/4G/4GBP-GAL/4GBP-GAL_decoys.pdbqt | data/4G/4GBP-GAL/4GBP-GAL_decoy_scores.csv |
4GNC-ASO | data/4G/4GNC-ASO/4GNC-ASO_ligand.pdbqt | data/4G/4GNC-ASO/4GNC-ASO_target.pdbqt | data/4G/4GNC-ASO/4GNC-ASO_decoys.pdbqt | data/4G/4GNC-ASO/4GNC-ASO_decoy_scores.csv |
4GQY-AMP | data/4G/4GQY-AMP/4GQY-AMP_ligand.pdbqt | data/4G/4GQY-AMP/4GQY-AMP_target.pdbqt | data/4G/4GQY-AMP/4GQY-AMP_decoys.pdbqt | data/4G/4GQY-AMP/4GQY-AMP_decoy_scores.csv |
4GUE-QCT | data/4G/4GUE-QCT/4GUE-QCT_ligand.pdbqt | data/4G/4GUE-QCT/4GUE-QCT_target.pdbqt | data/4G/4GUE-QCT/4GUE-QCT_decoys.pdbqt | data/4G/4GUE-QCT/4GUE-QCT_decoy_scores.csv |
4GLL-NAD | data/4G/4GLL-NAD/4GLL-NAD_ligand.pdbqt | data/4G/4GLL-NAD/4GLL-NAD_target.pdbqt | data/4G/4GLL-NAD/4GLL-NAD_decoys.pdbqt | data/4G/4GLL-NAD/4GLL-NAD_decoy_scores.csv |
4GVF-NDG | data/4G/4GVF-NDG/4GVF-NDG_ligand.pdbqt | data/4G/4GVF-NDG/4GVF-NDG_target.pdbqt | data/4G/4GVF-NDG/4GVF-NDG_decoys.pdbqt | data/4G/4GVF-NDG/4GVF-NDG_decoy_scores.csv |
4GR8-R4C | data/4G/4GR8-R4C/4GR8-R4C_ligand.pdbqt | data/4G/4GR8-R4C/4GR8-R4C_target.pdbqt | data/4G/4GR8-R4C/4GR8-R4C_decoys.pdbqt | data/4G/4GR8-R4C/4GR8-R4C_decoy_scores.csv |
4G7G-VFV | data/4G/4G7G-VFV/4G7G-VFV_ligand.pdbqt | data/4G/4G7G-VFV/4G7G-VFV_target.pdbqt | data/4G/4G7G-VFV/4G7G-VFV_decoys.pdbqt | data/4G/4G7G-VFV/4G7G-VFV_decoy_scores.csv |
4G89-ADE | data/4G/4G89-ADE/4G89-ADE_ligand.pdbqt | data/4G/4G89-ADE/4G89-ADE_target.pdbqt | data/4G/4G89-ADE/4G89-ADE_decoys.pdbqt | data/4G/4G89-ADE/4G89-ADE_decoy_scores.csv |
4GBP-UDP | data/4G/4GBP-UDP/4GBP-UDP_ligand.pdbqt | data/4G/4GBP-UDP/4GBP-UDP_target.pdbqt | data/4G/4GBP-UDP/4GBP-UDP_decoys.pdbqt | data/4G/4GBP-UDP/4GBP-UDP_decoy_scores.csv |
4G2G-TDH | data/4G/4G2G-TDH/4G2G-TDH_ligand.pdbqt | data/4G/4G2G-TDH/4G2G-TDH_target.pdbqt | data/4G/4G2G-TDH/4G2G-TDH_decoys.pdbqt | data/4G/4G2G-TDH/4G2G-TDH_decoy_scores.csv |
4G6W-PBX | data/4G/4G6W-PBX/4G6W-PBX_ligand.pdbqt | data/4G/4G6W-PBX/4G6W-PBX_target.pdbqt | data/4G/4G6W-PBX/4G6W-PBX_decoys.pdbqt | data/4G/4G6W-PBX/4G6W-PBX_decoy_scores.csv |
4GG9-0WW | data/4G/4GG9-0WW/4GG9-0WW_ligand.pdbqt | data/4G/4GG9-0WW/4GG9-0WW_target.pdbqt | data/4G/4GG9-0WW/4GG9-0WW_decoys.pdbqt | data/4G/4GG9-0WW/4GG9-0WW_decoy_scores.csv |
4GX4-F6P | data/4G/4GX4-F6P/4GX4-F6P_ligand.pdbqt | data/4G/4GX4-F6P/4GX4-F6P_target.pdbqt | data/4G/4GX4-F6P/4GX4-F6P_decoys.pdbqt | data/4G/4GX4-F6P/4GX4-F6P_decoy_scores.csv |
4GBW-F6P | data/4G/4GBW-F6P/4GBW-F6P_ligand.pdbqt | data/4G/4GBW-F6P/4GBW-F6P_target.pdbqt | data/4G/4GBW-F6P/4GBW-F6P_decoys.pdbqt | data/4G/4GBW-F6P/4GBW-F6P_decoy_scores.csv |
4G0Q-C5P | data/4G/4G0Q-C5P/4G0Q-C5P_ligand.pdbqt | data/4G/4G0Q-C5P/4G0Q-C5P_target.pdbqt | data/4G/4G0Q-C5P/4G0Q-C5P_decoys.pdbqt | data/4G/4G0Q-C5P/4G0Q-C5P_decoy_scores.csv |
4G1X-TQU | data/4G/4G1X-TQU/4G1X-TQU_ligand.pdbqt | data/4G/4G1X-TQU/4G1X-TQU_target.pdbqt | data/4G/4G1X-TQU/4G1X-TQU_decoys.pdbqt | data/4G/4G1X-TQU/4G1X-TQU_decoy_scores.csv |
4G48-PZB | data/4G/4G48-PZB/4G48-PZB_ligand.pdbqt | data/4G/4G48-PZB/4G48-PZB_target.pdbqt | data/4G/4G48-PZB/4G48-PZB_decoys.pdbqt | data/4G/4G48-PZB/4G48-PZB_decoy_scores.csv |
4G8M-G8M | data/4G/4G8M-G8M/4G8M-G8M_ligand.pdbqt | data/4G/4G8M-G8M/4G8M-G8M_target.pdbqt | data/4G/4G8M-G8M/4G8M-G8M_decoys.pdbqt | data/4G/4G8M-G8M/4G8M-G8M_decoy_scores.csv |
4GLY-P6G | data/4G/4GLY-P6G/4GLY-P6G_ligand.pdbqt | data/4G/4GLY-P6G/4GLY-P6G_target.pdbqt | data/4G/4GLY-P6G/4GLY-P6G_decoys.pdbqt | data/4G/4GLY-P6G/4GLY-P6G_decoy_scores.csv |
4GUB-0Y4 | data/4G/4GUB-0Y4/4GUB-0Y4_ligand.pdbqt | data/4G/4GUB-0Y4/4GUB-0Y4_target.pdbqt | data/4G/4GUB-0Y4/4GUB-0Y4_decoys.pdbqt | data/4G/4GUB-0Y4/4GUB-0Y4_decoy_scores.csv |
4G09-0VD | data/4G/4G09-0VD/4G09-0VD_ligand.pdbqt | data/4G/4G09-0VD/4G09-0VD_target.pdbqt | data/4G/4G09-0VD/4G09-0VD_decoys.pdbqt | data/4G/4G09-0VD/4G09-0VD_decoy_scores.csv |
4GPT-51K | data/4G/4GPT-51K/4GPT-51K_ligand.pdbqt | data/4G/4GPT-51K/4GPT-51K_target.pdbqt | data/4G/4GPT-51K/4GPT-51K_decoys.pdbqt | data/4G/4GPT-51K/4GPT-51K_decoy_scores.csv |
4GH0-MYS | data/4G/4GH0-MYS/4GH0-MYS_ligand.pdbqt | data/4G/4GH0-MYS/4GH0-MYS_target.pdbqt | data/4G/4GH0-MYS/4GH0-MYS_decoys.pdbqt | data/4G/4GH0-MYS/4GH0-MYS_decoy_scores.csv |
4GY9-ZIP | data/4G/4GY9-ZIP/4GY9-ZIP_ligand.pdbqt | data/4G/4GY9-ZIP/4GY9-ZIP_target.pdbqt | data/4G/4GY9-ZIP/4GY9-ZIP_decoys.pdbqt | data/4G/4GY9-ZIP/4GY9-ZIP_decoy_scores.csv |
4GCY-DUP | data/4G/4GCY-DUP/4GCY-DUP_ligand.pdbqt | data/4G/4GCY-DUP/4GCY-DUP_target.pdbqt | data/4G/4GCY-DUP/4GCY-DUP_decoys.pdbqt | data/4G/4GCY-DUP/4GCY-DUP_decoy_scores.csv |
4GUJ-SKM | data/4G/4GUJ-SKM/4GUJ-SKM_ligand.pdbqt | data/4G/4GUJ-SKM/4GUJ-SKM_target.pdbqt | data/4G/4GUJ-SKM/4GUJ-SKM_decoys.pdbqt | data/4G/4GUJ-SKM/4GUJ-SKM_decoy_scores.csv |
4GX4-AMP | data/4G/4GX4-AMP/4GX4-AMP_ligand.pdbqt | data/4G/4GX4-AMP/4GX4-AMP_target.pdbqt | data/4G/4GX4-AMP/4GX4-AMP_decoys.pdbqt | data/4G/4GX4-AMP/4GX4-AMP_decoy_scores.csv |
4GP2-DMA | data/4G/4GP2-DMA/4GP2-DMA_ligand.pdbqt | data/4G/4GP2-DMA/4GP2-DMA_target.pdbqt | data/4G/4GP2-DMA/4GP2-DMA_decoys.pdbqt | data/4G/4GP2-DMA/4GP2-DMA_decoy_scores.csv |
4GNM-GTP | data/4G/4GNM-GTP/4GNM-GTP_ligand.pdbqt | data/4G/4GNM-GTP/4GNM-GTP_target.pdbqt | data/4G/4GNM-GTP/4GNM-GTP_decoys.pdbqt | data/4G/4GNM-GTP/4GNM-GTP_decoy_scores.csv |
4GJJ-AFD | data/4G/4GJJ-AFD/4GJJ-AFD_ligand.pdbqt | data/4G/4GJJ-AFD/4GJJ-AFD_target.pdbqt | data/4G/4GJJ-AFD/4GJJ-AFD_decoys.pdbqt | data/4G/4GJJ-AFD/4GJJ-AFD_decoy_scores.csv |
4GPB-GFP | data/4G/4GPB-GFP/4GPB-GFP_ligand.pdbqt | data/4G/4GPB-GFP/4GPB-GFP_target.pdbqt | data/4G/4GPB-GFP/4GPB-GFP_decoys.pdbqt | data/4G/4GPB-GFP/4GPB-GFP_decoy_scores.csv |
4GMU-GTP | data/4G/4GMU-GTP/4GMU-GTP_ligand.pdbqt | data/4G/4GMU-GTP/4GMU-GTP_target.pdbqt | data/4G/4GMU-GTP/4GMU-GTP_decoys.pdbqt | data/4G/4GMU-GTP/4GMU-GTP_decoy_scores.csv |
4GM5-0X9 | data/4G/4GM5-0X9/4GM5-0X9_ligand.pdbqt | data/4G/4GM5-0X9/4GM5-0X9_target.pdbqt | data/4G/4GM5-0X9/4GM5-0X9_decoys.pdbqt | data/4G/4GM5-0X9/4GM5-0X9_decoy_scores.csv |
4G3S-GN1 | data/4G/4G3S-GN1/4G3S-GN1_ligand.pdbqt | data/4G/4G3S-GN1/4G3S-GN1_target.pdbqt | data/4G/4G3S-GN1/4G3S-GN1_decoys.pdbqt | data/4G/4G3S-GN1/4G3S-GN1_decoy_scores.csv |
4GHF-P6G | data/4G/4GHF-P6G/4GHF-P6G_ligand.pdbqt | data/4G/4GHF-P6G/4GHF-P6G_target.pdbqt | data/4G/4GHF-P6G/4GHF-P6G_decoys.pdbqt | data/4G/4GHF-P6G/4GHF-P6G_decoy_scores.csv |
4GA6-AMP | data/4G/4GA6-AMP/4GA6-AMP_ligand.pdbqt | data/4G/4GA6-AMP/4GA6-AMP_target.pdbqt | data/4G/4GA6-AMP/4GA6-AMP_decoys.pdbqt | data/4G/4GA6-AMP/4GA6-AMP_decoy_scores.csv |
4GQR-MYC | data/4G/4GQR-MYC/4GQR-MYC_ligand.pdbqt | data/4G/4GQR-MYC/4GQR-MYC_target.pdbqt | data/4G/4GQR-MYC/4GQR-MYC_decoys.pdbqt | data/4G/4GQR-MYC/4GQR-MYC_decoy_scores.csv |
4GLW-0XT | data/4G/4GLW-0XT/4GLW-0XT_ligand.pdbqt | data/4G/4GLW-0XT/4GLW-0XT_target.pdbqt | data/4G/4GLW-0XT/4GLW-0XT_decoys.pdbqt | data/4G/4GLW-0XT/4GLW-0XT_decoy_scores.csv |
4GST-GTD | data/4G/4GST-GTD/4GST-GTD_ligand.pdbqt | data/4G/4GST-GTD/4GST-GTD_target.pdbqt | data/4G/4GST-GTD/4GST-GTD_decoys.pdbqt | data/4G/4GST-GTD/4GST-GTD_decoy_scores.csv |
4GM4-TZD | data/4G/4GM4-TZD/4GM4-TZD_ligand.pdbqt | data/4G/4GM4-TZD/4GM4-TZD_target.pdbqt | data/4G/4GM4-TZD/4GM4-TZD_decoys.pdbqt | data/4G/4GM4-TZD/4GM4-TZD_decoy_scores.csv |
4GTR-FPP | data/4G/4GTR-FPP/4GTR-FPP_ligand.pdbqt | data/4G/4GTR-FPP/4GTR-FPP_target.pdbqt | data/4G/4GTR-FPP/4GTR-FPP_decoys.pdbqt | data/4G/4GTR-FPP/4GTR-FPP_decoy_scores.csv |
4GE8-FMN | data/4G/4GE8-FMN/4GE8-FMN_ligand.pdbqt | data/4G/4GE8-FMN/4GE8-FMN_target.pdbqt | data/4G/4GE8-FMN/4GE8-FMN_decoys.pdbqt | data/4G/4GE8-FMN/4GE8-FMN_decoy_scores.csv |
4G5G-GDP | data/4G/4G5G-GDP/4G5G-GDP_ligand.pdbqt | data/4G/4G5G-GDP/4G5G-GDP_target.pdbqt | data/4G/4G5G-GDP/4G5G-GDP_decoys.pdbqt | data/4G/4G5G-GDP/4G5G-GDP_decoy_scores.csv |
4GFN-SUY | data/4G/4GFN-SUY/4GFN-SUY_ligand.pdbqt | data/4G/4GFN-SUY/4GFN-SUY_target.pdbqt | data/4G/4GFN-SUY/4GFN-SUY_decoys.pdbqt | data/4G/4GFN-SUY/4GFN-SUY_decoy_scores.csv |
4G67-SAH | data/4G/4G67-SAH/4G67-SAH_ligand.pdbqt | data/4G/4G67-SAH/4G67-SAH_target.pdbqt | data/4G/4G67-SAH/4G67-SAH_decoys.pdbqt | data/4G/4G67-SAH/4G67-SAH_decoy_scores.csv |
4GUK-P3G | data/4G/4GUK-P3G/4GUK-P3G_ligand.pdbqt | data/4G/4GUK-P3G/4GUK-P3G_target.pdbqt | data/4G/4GUK-P3G/4GUK-P3G_decoys.pdbqt | data/4G/4GUK-P3G/4GUK-P3G_decoy_scores.csv |
4G46-TTY | data/4G/4G46-TTY/4G46-TTY_ligand.pdbqt | data/4G/4G46-TTY/4G46-TTY_target.pdbqt | data/4G/4G46-TTY/4G46-TTY_decoys.pdbqt | data/4G/4G46-TTY/4G46-TTY_decoy_scores.csv |
4GGL-CJC | data/4G/4GGL-CJC/4GGL-CJC_ligand.pdbqt | data/4G/4GGL-CJC/4GGL-CJC_target.pdbqt | data/4G/4GGL-CJC/4GGL-CJC_decoys.pdbqt | data/4G/4GGL-CJC/4GGL-CJC_decoy_scores.csv |
4G8B-HL6 | data/4G/4G8B-HL6/4G8B-HL6_ligand.pdbqt | data/4G/4G8B-HL6/4G8B-HL6_target.pdbqt | data/4G/4G8B-HL6/4G8B-HL6_decoys.pdbqt | data/4G/4G8B-HL6/4G8B-HL6_decoy_scores.csv |
4GVI-AH0 | data/4G/4GVI-AH0/4GVI-AH0_ligand.pdbqt | data/4G/4GVI-AH0/4GVI-AH0_target.pdbqt | data/4G/4GVI-AH0/4GVI-AH0_decoys.pdbqt | data/4G/4GVI-AH0/4GVI-AH0_decoy_scores.csv |
4G5Y-ATP | data/4G/4G5Y-ATP/4G5Y-ATP_ligand.pdbqt | data/4G/4G5Y-ATP/4G5Y-ATP_target.pdbqt | data/4G/4G5Y-ATP/4G5Y-ATP_decoys.pdbqt | data/4G/4G5Y-ATP/4G5Y-ATP_decoy_scores.csv |
4GNL-GDP | data/4G/4GNL-GDP/4GNL-GDP_ligand.pdbqt | data/4G/4GNL-GDP/4GNL-GDP_target.pdbqt | data/4G/4GNL-GDP/4GNL-GDP_decoys.pdbqt | data/4G/4GNL-GDP/4GNL-GDP_decoy_scores.csv |
4G8S-FMN | data/4G/4G8S-FMN/4G8S-FMN_ligand.pdbqt | data/4G/4G8S-FMN/4G8S-FMN_target.pdbqt | data/4G/4G8S-FMN/4G8S-FMN_decoys.pdbqt | data/4G/4G8S-FMN/4G8S-FMN_decoy_scores.csv |
4GBM-A3P | data/4G/4GBM-A3P/4GBM-A3P_ligand.pdbqt | data/4G/4GBM-A3P/4GBM-A3P_target.pdbqt | data/4G/4GBM-A3P/4GBM-A3P_decoys.pdbqt | data/4G/4GBM-A3P/4GBM-A3P_decoy_scores.csv |
4G74-UQ5 | data/4G/4G74-UQ5/4G74-UQ5_ligand.pdbqt | data/4G/4G74-UQ5/4G74-UQ5_target.pdbqt | data/4G/4G74-UQ5/4G74-UQ5_decoys.pdbqt | data/4G/4G74-UQ5/4G74-UQ5_decoy_scores.csv |
4GXS-0YS | data/4G/4GXS-0YS/4GXS-0YS_ligand.pdbqt | data/4G/4GXS-0YS/4GXS-0YS_target.pdbqt | data/4G/4GXS-0YS/4GXS-0YS_decoys.pdbqt | data/4G/4GXS-0YS/4GXS-0YS_decoy_scores.csv |
4GG5-0J3 | data/4G/4GG5-0J3/4GG5-0J3_ligand.pdbqt | data/4G/4GG5-0J3/4GG5-0J3_target.pdbqt | data/4G/4GG5-0J3/4GG5-0J3_decoys.pdbqt | data/4G/4GG5-0J3/4GG5-0J3_decoy_scores.csv |
4G0Z-5GP | data/4G/4G0Z-5GP/4G0Z-5GP_ligand.pdbqt | data/4G/4G0Z-5GP/4G0Z-5GP_target.pdbqt | data/4G/4G0Z-5GP/4G0Z-5GP_decoys.pdbqt | data/4G/4G0Z-5GP/4G0Z-5GP_decoy_scores.csv |
4GJJ-AOS | data/4G/4GJJ-AOS/4GJJ-AOS_ligand.pdbqt | data/4G/4GJJ-AOS/4GJJ-AOS_target.pdbqt | data/4G/4GJJ-AOS/4GJJ-AOS_decoys.pdbqt | data/4G/4GJJ-AOS/4GJJ-AOS_decoy_scores.csv |
4GID-0GH | data/4G/4GID-0GH/4GID-0GH_ligand.pdbqt | data/4G/4GID-0GH/4GID-0GH_target.pdbqt | data/4G/4GID-0GH/4GID-0GH_decoys.pdbqt | data/4G/4GID-0GH/4GID-0GH_decoy_scores.csv |
4GUK-P2G | data/4G/4GUK-P2G/4GUK-P2G_ligand.pdbqt | data/4G/4GUK-P2G/4GUK-P2G_target.pdbqt | data/4G/4GUK-P2G/4GUK-P2G_decoys.pdbqt | data/4G/4GUK-P2G/4GUK-P2G_decoy_scores.csv |
4GMW-PEP | data/4G/4GMW-PEP/4GMW-PEP_ligand.pdbqt | data/4G/4GMW-PEP/4GMW-PEP_target.pdbqt | data/4G/4GMW-PEP/4GMW-PEP_decoys.pdbqt | data/4G/4GMW-PEP/4GMW-PEP_decoy_scores.csv |
4GTB-UMP | data/4G/4GTB-UMP/4GTB-UMP_ligand.pdbqt | data/4G/4GTB-UMP/4GTB-UMP_target.pdbqt | data/4G/4GTB-UMP/4GTB-UMP_decoys.pdbqt | data/4G/4GTB-UMP/4GTB-UMP_decoy_scores.csv |
4GI1-16Y | data/4G/4GI1-16Y/4GI1-16Y_ligand.pdbqt | data/4G/4GI1-16Y/4GI1-16Y_target.pdbqt | data/4G/4GI1-16Y/4GI1-16Y_decoys.pdbqt | data/4G/4GI1-16Y/4GI1-16Y_decoy_scores.csv |
4GKV-NAD | data/4G/4GKV-NAD/4GKV-NAD_ligand.pdbqt | data/4G/4GKV-NAD/4GKV-NAD_target.pdbqt | data/4G/4GKV-NAD/4GKV-NAD_decoys.pdbqt | data/4G/4GKV-NAD/4GKV-NAD_decoy_scores.csv |
4G9E-C4L | data/4G/4G9E-C4L/4G9E-C4L_ligand.pdbqt | data/4G/4G9E-C4L/4G9E-C4L_target.pdbqt | data/4G/4G9E-C4L/4G9E-C4L_decoys.pdbqt | data/4G/4G9E-C4L/4G9E-C4L_decoy_scores.csv |
4G55-VH2 | data/4G/4G55-VH2/4G55-VH2_ligand.pdbqt | data/4G/4G55-VH2/4G55-VH2_target.pdbqt | data/4G/4G55-VH2/4G55-VH2_decoys.pdbqt | data/4G/4G55-VH2/4G55-VH2_decoy_scores.csv |
4GXQ-ATP | data/4G/4GXQ-ATP/4GXQ-ATP_ligand.pdbqt | data/4G/4GXQ-ATP/4GXQ-ATP_target.pdbqt | data/4G/4GXQ-ATP/4GXQ-ATP_decoys.pdbqt | data/4G/4GXQ-ATP/4GXQ-ATP_decoy_scores.csv |
4GG2-GLU | data/4G/4GG2-GLU/4GG2-GLU_ligand.pdbqt | data/4G/4GG2-GLU/4GG2-GLU_target.pdbqt | data/4G/4GG2-GLU/4GG2-GLU_decoys.pdbqt | data/4G/4GG2-GLU/4GG2-GLU_decoy_scores.csv |
4GEV-CB3 | data/4G/4GEV-CB3/4GEV-CB3_ligand.pdbqt | data/4G/4GEV-CB3/4GEV-CB3_target.pdbqt | data/4G/4GEV-CB3/4GEV-CB3_decoys.pdbqt | data/4G/4GEV-CB3/4GEV-CB3_decoy_scores.csv |
4GE9-0L0 | data/4G/4GE9-0L0/4GE9-0L0_ligand.pdbqt | data/4G/4GE9-0L0/4GE9-0L0_target.pdbqt | data/4G/4GE9-0L0/4GE9-0L0_decoys.pdbqt | data/4G/4GE9-0L0/4GE9-0L0_decoy_scores.csv |
4GQP-B40 | data/4G/4GQP-B40/4GQP-B40_ligand.pdbqt | data/4G/4GQP-B40/4GQP-B40_target.pdbqt | data/4G/4GQP-B40/4GQP-B40_decoys.pdbqt | data/4G/4GQP-B40/4GQP-B40_decoy_scores.csv |
4GQE-6KJ | data/4G/4GQE-6KJ/4GQE-6KJ_ligand.pdbqt | data/4G/4GQE-6KJ/4GQE-6KJ_target.pdbqt | data/4G/4GQE-6KJ/4GQE-6KJ_decoys.pdbqt | data/4G/4GQE-6KJ/4GQE-6KJ_decoy_scores.csv |
4GP9-TZD | data/4G/4GP9-TZD/4GP9-TZD_ligand.pdbqt | data/4G/4GP9-TZD/4GP9-TZD_target.pdbqt | data/4G/4GP9-TZD/4GP9-TZD_decoys.pdbqt | data/4G/4GP9-TZD/4GP9-TZD_decoy_scores.csv |
4GV4-MEJ | data/4G/4GV4-MEJ/4GV4-MEJ_ligand.pdbqt | data/4G/4GV4-MEJ/4GV4-MEJ_target.pdbqt | data/4G/4GV4-MEJ/4GV4-MEJ_decoys.pdbqt | data/4G/4GV4-MEJ/4GV4-MEJ_decoy_scores.csv |
4GRR-AVR | data/4G/4GRR-AVR/4GRR-AVR_ligand.pdbqt | data/4G/4GRR-AVR/4GRR-AVR_target.pdbqt | data/4G/4GRR-AVR/4GRR-AVR_decoys.pdbqt | data/4G/4GRR-AVR/4GRR-AVR_decoy_scores.csv |
4GQN-INI | data/4G/4GQN-INI/4GQN-INI_ligand.pdbqt | data/4G/4GQN-INI/4GQN-INI_target.pdbqt | data/4G/4GQN-INI/4GQN-INI_decoys.pdbqt | data/4G/4GQN-INI/4GQN-INI_decoy_scores.csv |
4GJI-RNS | data/4G/4GJI-RNS/4GJI-RNS_ligand.pdbqt | data/4G/4GJI-RNS/4GJI-RNS_target.pdbqt | data/4G/4GJI-RNS/4GJI-RNS_decoys.pdbqt | data/4G/4GJI-RNS/4GJI-RNS_decoy_scores.csv |
4GNP-PEP | data/4G/4GNP-PEP/4GNP-PEP_ligand.pdbqt | data/4G/4GNP-PEP/4GNP-PEP_target.pdbqt | data/4G/4GNP-PEP/4GNP-PEP_decoys.pdbqt | data/4G/4GNP-PEP/4GNP-PEP_decoy_scores.csv |
4GS6-1FM | data/4G/4GS6-1FM/4GS6-1FM_ligand.pdbqt | data/4G/4GS6-1FM/4GS6-1FM_target.pdbqt | data/4G/4GS6-1FM/4GS6-1FM_decoys.pdbqt | data/4G/4GS6-1FM/4GS6-1FM_decoy_scores.csv |
4G2V-BTB | data/4G/4G2V-BTB/4G2V-BTB_ligand.pdbqt | data/4G/4G2V-BTB/4G2V-BTB_target.pdbqt | data/4G/4G2V-BTB/4G2V-BTB_decoys.pdbqt | data/4G/4G2V-BTB/4G2V-BTB_decoy_scores.csv |
4GAB-FID | data/4G/4GAB-FID/4GAB-FID_ligand.pdbqt | data/4G/4GAB-FID/4GAB-FID_target.pdbqt | data/4G/4GAB-FID/4GAB-FID_decoys.pdbqt | data/4G/4GAB-FID/4GAB-FID_decoy_scores.csv |
4G44-TZM | data/4G/4G44-TZM/4G44-TZM_ligand.pdbqt | data/4G/4G44-TZM/4G44-TZM_target.pdbqt | data/4G/4G44-TZM/4G44-TZM_decoys.pdbqt | data/4G/4G44-TZM/4G44-TZM_decoy_scores.csv |
4GWX-F6P | data/4G/4GWX-F6P/4GWX-F6P_ligand.pdbqt | data/4G/4GWX-F6P/4GWX-F6P_target.pdbqt | data/4G/4GWX-F6P/4GWX-F6P_decoys.pdbqt | data/4G/4GWX-F6P/4GWX-F6P_decoy_scores.csv |
4G1N-NZT | data/4G/4G1N-NZT/4G1N-NZT_ligand.pdbqt | data/4G/4G1N-NZT/4G1N-NZT_target.pdbqt | data/4G/4G1N-NZT/4G1N-NZT_decoys.pdbqt | data/4G/4G1N-NZT/4G1N-NZT_decoy_scores.csv |
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