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 ⌀ |
|---|---|---|---|---|
1Y3Y-UIR | data/1Y/1Y3Y-UIR/1Y3Y-UIR_ligand.pdbqt | data/1Y/1Y3Y-UIR/1Y3Y-UIR_target.pdbqt | data/1Y/1Y3Y-UIR/1Y3Y-UIR_decoys.pdbqt | data/1Y/1Y3Y-UIR/1Y3Y-UIR_decoy_scores.csv |
1YB1-AOI | data/1Y/1YB1-AOI/1YB1-AOI_ligand.pdbqt | data/1Y/1YB1-AOI/1YB1-AOI_target.pdbqt | data/1Y/1YB1-AOI/1YB1-AOI_decoys.pdbqt | data/1Y/1YB1-AOI/1YB1-AOI_decoy_scores.csv |
1YZ0-AMP | data/1Y/1YZ0-AMP/1YZ0-AMP_ligand.pdbqt | data/1Y/1YZ0-AMP/1YZ0-AMP_target.pdbqt | data/1Y/1YZ0-AMP/1YZ0-AMP_decoys.pdbqt | data/1Y/1YZ0-AMP/1YZ0-AMP_decoy_scores.csv |
1YXV-LI6 | data/1Y/1YXV-LI6/1YXV-LI6_ligand.pdbqt | data/1Y/1YXV-LI6/1YXV-LI6_target.pdbqt | data/1Y/1YXV-LI6/1YXV-LI6_decoys.pdbqt | data/1Y/1YXV-LI6/1YXV-LI6_decoy_scores.csv |
1YVX-IPC | data/1Y/1YVX-IPC/1YVX-IPC_ligand.pdbqt | data/1Y/1YVX-IPC/1YVX-IPC_target.pdbqt | data/1Y/1YVX-IPC/1YVX-IPC_decoys.pdbqt | data/1Y/1YVX-IPC/1YVX-IPC_decoy_scores.csv |
1Y5W-NEZ | data/1Y/1Y5W-NEZ/1Y5W-NEZ_ligand.pdbqt | data/1Y/1Y5W-NEZ/1Y5W-NEZ_target.pdbqt | data/1Y/1Y5W-NEZ/1Y5W-NEZ_decoys.pdbqt | data/1Y/1Y5W-NEZ/1Y5W-NEZ_decoy_scores.csv |
1YYY-0KV | data/1Y/1YYY-0KV/1YYY-0KV_ligand.pdbqt | data/1Y/1YYY-0KV/1YYY-0KV_target.pdbqt | data/1Y/1YYY-0KV/1YYY-0KV_decoys.pdbqt | data/1Y/1YYY-0KV/1YYY-0KV_decoy_scores.csv |
1Y79-LYS | data/1Y/1Y79-LYS/1Y79-LYS_ligand.pdbqt | data/1Y/1Y79-LYS/1Y79-LYS_target.pdbqt | data/1Y/1Y79-LYS/1Y79-LYS_decoys.pdbqt | data/1Y/1Y79-LYS/1Y79-LYS_decoy_scores.csv |
1YON-A2R | data/1Y/1YON-A2R/1YON-A2R_ligand.pdbqt | data/1Y/1YON-A2R/1YON-A2R_target.pdbqt | data/1Y/1YON-A2R/1YON-A2R_decoys.pdbqt | data/1Y/1YON-A2R/1YON-A2R_decoy_scores.csv |
1YTA-FLC | data/1Y/1YTA-FLC/1YTA-FLC_ligand.pdbqt | data/1Y/1YTA-FLC/1YTA-FLC_target.pdbqt | data/1Y/1YTA-FLC/1YTA-FLC_decoys.pdbqt | data/1Y/1YTA-FLC/1YTA-FLC_decoy_scores.csv |
1Y2B-DEE | data/1Y/1Y2B-DEE/1Y2B-DEE_ligand.pdbqt | data/1Y/1Y2B-DEE/1Y2B-DEE_target.pdbqt | data/1Y/1Y2B-DEE/1Y2B-DEE_decoys.pdbqt | data/1Y/1Y2B-DEE/1Y2B-DEE_decoy_scores.csv |
1YC3-4BC | data/1Y/1YC3-4BC/1YC3-4BC_ligand.pdbqt | data/1Y/1YC3-4BC/1YC3-4BC_target.pdbqt | data/1Y/1YC3-4BC/1YC3-4BC_decoys.pdbqt | data/1Y/1YC3-4BC/1YC3-4BC_decoy_scores.csv |
1YWQ-FMN | data/1Y/1YWQ-FMN/1YWQ-FMN_ligand.pdbqt | data/1Y/1YWQ-FMN/1YWQ-FMN_target.pdbqt | data/1Y/1YWQ-FMN/1YWQ-FMN_decoys.pdbqt | data/1Y/1YWQ-FMN/1YWQ-FMN_decoy_scores.csv |
1YTM-ATP | data/1Y/1YTM-ATP/1YTM-ATP_ligand.pdbqt | data/1Y/1YTM-ATP/1YTM-ATP_target.pdbqt | data/1Y/1YTM-ATP/1YTM-ATP_decoys.pdbqt | data/1Y/1YTM-ATP/1YTM-ATP_decoy_scores.csv |
1YZN-GNP | data/1Y/1YZN-GNP/1YZN-GNP_ligand.pdbqt | data/1Y/1YZN-GNP/1YZN-GNP_target.pdbqt | data/1Y/1YZN-GNP/1YZN-GNP_decoys.pdbqt | data/1Y/1YZN-GNP/1YZN-GNP_decoy_scores.csv |
1Y3A-GDP | data/1Y/1Y3A-GDP/1Y3A-GDP_ligand.pdbqt | data/1Y/1Y3A-GDP/1Y3A-GDP_target.pdbqt | data/1Y/1Y3A-GDP/1Y3A-GDP_decoys.pdbqt | data/1Y/1Y3A-GDP/1Y3A-GDP_decoy_scores.csv |
1YHC-PAM | data/1Y/1YHC-PAM/1YHC-PAM_ligand.pdbqt | data/1Y/1YHC-PAM/1YHC-PAM_target.pdbqt | data/1Y/1YHC-PAM/1YHC-PAM_decoys.pdbqt | data/1Y/1YHC-PAM/1YHC-PAM_decoy_scores.csv |
1Y9R-1CA | data/1Y/1Y9R-1CA/1Y9R-1CA_ligand.pdbqt | data/1Y/1Y9R-1CA/1Y9R-1CA_target.pdbqt | data/1Y/1Y9R-1CA/1Y9R-1CA_decoys.pdbqt | data/1Y/1Y9R-1CA/1Y9R-1CA_decoy_scores.csv |
1YFR-ATP | data/1Y/1YFR-ATP/1YFR-ATP_ligand.pdbqt | data/1Y/1YFR-ATP/1YFR-ATP_target.pdbqt | data/1Y/1YFR-ATP/1YFR-ATP_decoys.pdbqt | data/1Y/1YFR-ATP/1YFR-ATP_decoy_scores.csv |
1Y38-G3P | data/1Y/1Y38-G3P/1Y38-G3P_ligand.pdbqt | data/1Y/1Y38-G3P/1Y38-G3P_target.pdbqt | data/1Y/1Y38-G3P/1Y38-G3P_decoys.pdbqt | data/1Y/1Y38-G3P/1Y38-G3P_decoy_scores.csv |
1YA3-STR | data/1Y/1YA3-STR/1YA3-STR_ligand.pdbqt | data/1Y/1YA3-STR/1YA3-STR_target.pdbqt | data/1Y/1YA3-STR/1YA3-STR_decoys.pdbqt | data/1Y/1YA3-STR/1YA3-STR_decoy_scores.csv |
1YT7-3FC | data/1Y/1YT7-3FC/1YT7-3FC_ligand.pdbqt | data/1Y/1YT7-3FC/1YT7-3FC_target.pdbqt | data/1Y/1YT7-3FC/1YT7-3FC_decoys.pdbqt | data/1Y/1YT7-3FC/1YT7-3FC_decoy_scores.csv |
1Y1P-NMN | data/1Y/1Y1P-NMN/1Y1P-NMN_ligand.pdbqt | data/1Y/1Y1P-NMN/1Y1P-NMN_target.pdbqt | data/1Y/1Y1P-NMN/1Y1P-NMN_decoys.pdbqt | data/1Y/1Y1P-NMN/1Y1P-NMN_decoy_scores.csv |
1YBK-BEQ | data/1Y/1YBK-BEQ/1YBK-BEQ_ligand.pdbqt | data/1Y/1YBK-BEQ/1YBK-BEQ_target.pdbqt | data/1Y/1YBK-BEQ/1YBK-BEQ_decoys.pdbqt | data/1Y/1YBK-BEQ/1YBK-BEQ_decoy_scores.csv |
1YKL-DHB | data/1Y/1YKL-DHB/1YKL-DHB_ligand.pdbqt | data/1Y/1YKL-DHB/1YKL-DHB_target.pdbqt | data/1Y/1YKL-DHB/1YKL-DHB_decoys.pdbqt | data/1Y/1YKL-DHB/1YKL-DHB_decoy_scores.csv |
1Y7I-SAL | data/1Y/1Y7I-SAL/1Y7I-SAL_ligand.pdbqt | data/1Y/1Y7I-SAL/1Y7I-SAL_target.pdbqt | data/1Y/1Y7I-SAL/1Y7I-SAL_decoys.pdbqt | data/1Y/1Y7I-SAL/1Y7I-SAL_decoy_scores.csv |
1YCL-KRI | data/1Y/1YCL-KRI/1YCL-KRI_ligand.pdbqt | data/1Y/1YCL-KRI/1YCL-KRI_target.pdbqt | data/1Y/1YCL-KRI/1YCL-KRI_decoys.pdbqt | data/1Y/1YCL-KRI/1YCL-KRI_decoy_scores.csv |
1YKR-628 | data/1Y/1YKR-628/1YKR-628_ligand.pdbqt | data/1Y/1YKR-628/1YKR-628_target.pdbqt | data/1Y/1YKR-628/1YKR-628_decoys.pdbqt | data/1Y/1YKR-628/1YKR-628_decoy_scores.csv |
1Y1R-BJE | data/1Y/1Y1R-BJE/1Y1R-BJE_ligand.pdbqt | data/1Y/1Y1R-BJE/1Y1R-BJE_target.pdbqt | data/1Y/1Y1R-BJE/1Y1R-BJE_decoys.pdbqt | data/1Y/1Y1R-BJE/1Y1R-BJE_decoy_scores.csv |
1YR7-GSP | data/1Y/1YR7-GSP/1YR7-GSP_ligand.pdbqt | data/1Y/1YR7-GSP/1YR7-GSP_target.pdbqt | data/1Y/1YR7-GSP/1YR7-GSP_decoys.pdbqt | data/1Y/1YR7-GSP/1YR7-GSP_decoy_scores.csv |
1YNS-HPO | data/1Y/1YNS-HPO/1YNS-HPO_ligand.pdbqt | data/1Y/1YNS-HPO/1YNS-HPO_target.pdbqt | data/1Y/1YNS-HPO/1YNS-HPO_decoys.pdbqt | data/1Y/1YNS-HPO/1YNS-HPO_decoy_scores.csv |
1YE4-NAD | data/1Y/1YE4-NAD/1YE4-NAD_ligand.pdbqt | data/1Y/1YE4-NAD/1YE4-NAD_target.pdbqt | data/1Y/1YE4-NAD/1YE4-NAD_decoys.pdbqt | data/1Y/1YE4-NAD/1YE4-NAD_decoy_scores.csv |
1YB6-MNN | data/1Y/1YB6-MNN/1YB6-MNN_ligand.pdbqt | data/1Y/1YB6-MNN/1YB6-MNN_target.pdbqt | data/1Y/1YB6-MNN/1YB6-MNN_decoys.pdbqt | data/1Y/1YB6-MNN/1YB6-MNN_decoy_scores.csv |
1YP4-ADP | data/1Y/1YP4-ADP/1YP4-ADP_ligand.pdbqt | data/1Y/1YP4-ADP/1YP4-ADP_target.pdbqt | data/1Y/1YP4-ADP/1YP4-ADP_decoys.pdbqt | data/1Y/1YP4-ADP/1YP4-ADP_decoy_scores.csv |
1YVD-GNP | data/1Y/1YVD-GNP/1YVD-GNP_ligand.pdbqt | data/1Y/1YVD-GNP/1YVD-GNP_target.pdbqt | data/1Y/1YVD-GNP/1YVD-GNP_decoys.pdbqt | data/1Y/1YVD-GNP/1YVD-GNP_decoy_scores.csv |
1Y55-BTN | data/1Y/1Y55-BTN/1Y55-BTN_ligand.pdbqt | data/1Y/1Y55-BTN/1Y55-BTN_target.pdbqt | data/1Y/1Y55-BTN/1Y55-BTN_decoys.pdbqt | data/1Y/1Y55-BTN/1Y55-BTN_decoy_scores.csv |
1YW7-A41 | data/1Y/1YW7-A41/1YW7-A41_ligand.pdbqt | data/1Y/1YW7-A41/1YW7-A41_target.pdbqt | data/1Y/1YW7-A41/1YW7-A41_decoys.pdbqt | data/1Y/1YW7-A41/1YW7-A41_decoy_scores.csv |
1Y2C-3DE | data/1Y/1Y2C-3DE/1Y2C-3DE_ligand.pdbqt | data/1Y/1Y2C-3DE/1Y2C-3DE_target.pdbqt | data/1Y/1Y2C-3DE/1Y2C-3DE_decoys.pdbqt | data/1Y/1Y2C-3DE/1Y2C-3DE_decoy_scores.csv |
1Y3V-UIR | data/1Y/1Y3V-UIR/1Y3V-UIR_ligand.pdbqt | data/1Y/1Y3V-UIR/1Y3V-UIR_target.pdbqt | data/1Y/1Y3V-UIR/1Y3V-UIR_decoys.pdbqt | data/1Y/1Y3V-UIR/1Y3V-UIR_decoy_scores.csv |
1YEE-PNB | data/1Y/1YEE-PNB/1YEE-PNB_ligand.pdbqt | data/1Y/1YEE-PNB/1YEE-PNB_target.pdbqt | data/1Y/1YEE-PNB/1YEE-PNB_decoys.pdbqt | data/1Y/1YEE-PNB/1YEE-PNB_decoy_scores.csv |
1YZL-GNP | data/1Y/1YZL-GNP/1YZL-GNP_ligand.pdbqt | data/1Y/1YZL-GNP/1YZL-GNP_target.pdbqt | data/1Y/1YZL-GNP/1YZL-GNP_decoys.pdbqt | data/1Y/1YZL-GNP/1YZL-GNP_decoy_scores.csv |
1Y30-FMN | data/1Y/1Y30-FMN/1Y30-FMN_ligand.pdbqt | data/1Y/1Y30-FMN/1Y30-FMN_target.pdbqt | data/1Y/1Y30-FMN/1Y30-FMN_decoys.pdbqt | data/1Y/1Y30-FMN/1Y30-FMN_decoy_scores.csv |
1Y0B-G4P | data/1Y/1Y0B-G4P/1Y0B-G4P_ligand.pdbqt | data/1Y/1Y0B-G4P/1Y0B-G4P_target.pdbqt | data/1Y/1Y0B-G4P/1Y0B-G4P_decoys.pdbqt | data/1Y/1Y0B-G4P/1Y0B-G4P_decoy_scores.csv |
1YV3-BIT | data/1Y/1YV3-BIT/1YV3-BIT_ligand.pdbqt | data/1Y/1YV3-BIT/1YV3-BIT_target.pdbqt | null | null |
1YIQ-PQQ | data/1Y/1YIQ-PQQ/1YIQ-PQQ_ligand.pdbqt | data/1Y/1YIQ-PQQ/1YIQ-PQQ_target.pdbqt | data/1Y/1YIQ-PQQ/1YIQ-PQQ_decoys.pdbqt | data/1Y/1YIQ-PQQ/1YIQ-PQQ_decoy_scores.csv |
1YLU-FMN | data/1Y/1YLU-FMN/1YLU-FMN_ligand.pdbqt | data/1Y/1YLU-FMN/1YLU-FMN_target.pdbqt | data/1Y/1YLU-FMN/1YLU-FMN_decoys.pdbqt | data/1Y/1YLU-FMN/1YLU-FMN_decoy_scores.csv |
1YZU-GNP | data/1Y/1YZU-GNP/1YZU-GNP_ligand.pdbqt | data/1Y/1YZU-GNP/1YZU-GNP_target.pdbqt | data/1Y/1YZU-GNP/1YZU-GNP_decoys.pdbqt | data/1Y/1YZU-GNP/1YZU-GNP_decoy_scores.csv |
1YF6-HTO | data/1Y/1YF6-HTO/1YF6-HTO_ligand.pdbqt | data/1Y/1YF6-HTO/1YF6-HTO_target.pdbqt | data/1Y/1YF6-HTO/1YF6-HTO_decoys.pdbqt | data/1Y/1YF6-HTO/1YF6-HTO_decoy_scores.csv |
1YF6-LDA | data/1Y/1YF6-LDA/1YF6-LDA_ligand.pdbqt | data/1Y/1YF6-LDA/1YF6-LDA_target.pdbqt | data/1Y/1YF6-LDA/1YF6-LDA_decoys.pdbqt | data/1Y/1YF6-LDA/1YF6-LDA_decoy_scores.csv |
1YWR-LI9 | data/1Y/1YWR-LI9/1YWR-LI9_ligand.pdbqt | data/1Y/1YWR-LI9/1YWR-LI9_target.pdbqt | data/1Y/1YWR-LI9/1YWR-LI9_decoys.pdbqt | data/1Y/1YWR-LI9/1YWR-LI9_decoy_scores.csv |
1YI8-TRP | data/1Y/1YI8-TRP/1YI8-TRP_ligand.pdbqt | data/1Y/1YI8-TRP/1YI8-TRP_target.pdbqt | data/1Y/1YI8-TRP/1YI8-TRP_decoys.pdbqt | data/1Y/1YI8-TRP/1YI8-TRP_decoy_scores.csv |
1Y4L-P33 | data/1Y/1Y4L-P33/1Y4L-P33_ligand.pdbqt | data/1Y/1Y4L-P33/1Y4L-P33_target.pdbqt | data/1Y/1Y4L-P33/1Y4L-P33_decoys.pdbqt | data/1Y/1Y4L-P33/1Y4L-P33_decoy_scores.csv |
1YRS-L47 | data/1Y/1YRS-L47/1YRS-L47_ligand.pdbqt | data/1Y/1YRS-L47/1YRS-L47_target.pdbqt | data/1Y/1YRS-L47/1YRS-L47_decoys.pdbqt | data/1Y/1YRS-L47/1YRS-L47_decoy_scores.csv |
1Y0G-8PP | data/1Y/1Y0G-8PP/1Y0G-8PP_ligand.pdbqt | data/1Y/1Y0G-8PP/1Y0G-8PP_target.pdbqt | data/1Y/1Y0G-8PP/1Y0G-8PP_decoys.pdbqt | data/1Y/1Y0G-8PP/1Y0G-8PP_decoy_scores.csv |
1YRC-CAM | data/1Y/1YRC-CAM/1YRC-CAM_ligand.pdbqt | data/1Y/1YRC-CAM/1YRC-CAM_target.pdbqt | data/1Y/1YRC-CAM/1YRC-CAM_decoys.pdbqt | data/1Y/1YRC-CAM/1YRC-CAM_decoy_scores.csv |
1YBH-NHE | data/1Y/1YBH-NHE/1YBH-NHE_ligand.pdbqt | data/1Y/1YBH-NHE/1YBH-NHE_target.pdbqt | data/1Y/1YBH-NHE/1YBH-NHE_decoys.pdbqt | data/1Y/1YBH-NHE/1YBH-NHE_decoy_scores.csv |
1YRO-UDP | data/1Y/1YRO-UDP/1YRO-UDP_ligand.pdbqt | data/1Y/1YRO-UDP/1YRO-UDP_target.pdbqt | data/1Y/1YRO-UDP/1YRO-UDP_decoys.pdbqt | data/1Y/1YRO-UDP/1YRO-UDP_decoy_scores.csv |
1YYZ-F6P | data/1Y/1YYZ-F6P/1YYZ-F6P_ligand.pdbqt | data/1Y/1YYZ-F6P/1YYZ-F6P_target.pdbqt | data/1Y/1YYZ-F6P/1YYZ-F6P_decoys.pdbqt | data/1Y/1YYZ-F6P/1YYZ-F6P_decoy_scores.csv |
1YID-ATP | data/1Y/1YID-ATP/1YID-ATP_ligand.pdbqt | data/1Y/1YID-ATP/1YID-ATP_target.pdbqt | data/1Y/1YID-ATP/1YID-ATP_decoys.pdbqt | data/1Y/1YID-ATP/1YID-ATP_decoy_scores.csv |
1YCE-F09 | data/1Y/1YCE-F09/1YCE-F09_ligand.pdbqt | data/1Y/1YCE-F09/1YCE-F09_target.pdbqt | data/1Y/1YCE-F09/1YCE-F09_decoys.pdbqt | data/1Y/1YCE-F09/1YCE-F09_decoy_scores.csv |
1Y6Q-TDI | data/1Y/1Y6Q-TDI/1Y6Q-TDI_ligand.pdbqt | data/1Y/1Y6Q-TDI/1Y6Q-TDI_target.pdbqt | data/1Y/1Y6Q-TDI/1Y6Q-TDI_decoys.pdbqt | data/1Y/1Y6Q-TDI/1Y6Q-TDI_decoy_scores.csv |
1YXX-LI7 | data/1Y/1YXX-LI7/1YXX-LI7_ligand.pdbqt | data/1Y/1YXX-LI7/1YXX-LI7_target.pdbqt | data/1Y/1YXX-LI7/1YXX-LI7_decoys.pdbqt | data/1Y/1YXX-LI7/1YXX-LI7_decoy_scores.csv |
1YMG-BNG | data/1Y/1YMG-BNG/1YMG-BNG_ligand.pdbqt | data/1Y/1YMG-BNG/1YMG-BNG_target.pdbqt | data/1Y/1YMG-BNG/1YMG-BNG_decoys.pdbqt | data/1Y/1YMG-BNG/1YMG-BNG_decoy_scores.csv |
1Y6R-MTM | data/1Y/1Y6R-MTM/1Y6R-MTM_ligand.pdbqt | data/1Y/1Y6R-MTM/1Y6R-MTM_target.pdbqt | data/1Y/1Y6R-MTM/1Y6R-MTM_decoys.pdbqt | data/1Y/1Y6R-MTM/1Y6R-MTM_decoy_scores.csv |
1YDB-AZM | data/1Y/1YDB-AZM/1YDB-AZM_ligand.pdbqt | data/1Y/1YDB-AZM/1YDB-AZM_target.pdbqt | data/1Y/1YDB-AZM/1YDB-AZM_decoys.pdbqt | data/1Y/1YDB-AZM/1YDB-AZM_decoy_scores.csv |
1P9L-NAI | data/1P/1P9L-NAI/1P9L-NAI_ligand.pdbqt | data/1P/1P9L-NAI/1P9L-NAI_target.pdbqt | data/1P/1P9L-NAI/1P9L-NAI_decoys.pdbqt | data/1P/1P9L-NAI/1P9L-NAI_decoy_scores.csv |
1PZF-A3D | data/1P/1PZF-A3D/1PZF-A3D_ligand.pdbqt | data/1P/1PZF-A3D/1PZF-A3D_target.pdbqt | data/1P/1PZF-A3D/1PZF-A3D_decoys.pdbqt | data/1P/1PZF-A3D/1PZF-A3D_decoy_scores.csv |
1P1J-NAI | data/1P/1P1J-NAI/1P1J-NAI_ligand.pdbqt | data/1P/1P1J-NAI/1P1J-NAI_target.pdbqt | data/1P/1P1J-NAI/1P1J-NAI_decoys.pdbqt | data/1P/1P1J-NAI/1P1J-NAI_decoy_scores.csv |
1PJX-ME2 | data/1P/1PJX-ME2/1PJX-ME2_ligand.pdbqt | data/1P/1PJX-ME2/1PJX-ME2_target.pdbqt | data/1P/1PJX-ME2/1PJX-ME2_decoys.pdbqt | data/1P/1PJX-ME2/1PJX-ME2_decoy_scores.csv |
1POB-GEL | data/1P/1POB-GEL/1POB-GEL_ligand.pdbqt | data/1P/1POB-GEL/1POB-GEL_target.pdbqt | data/1P/1POB-GEL/1POB-GEL_decoys.pdbqt | data/1P/1POB-GEL/1POB-GEL_decoy_scores.csv |
1P72-ADP | data/1P/1P72-ADP/1P72-ADP_ligand.pdbqt | data/1P/1P72-ADP/1P72-ADP_target.pdbqt | data/1P/1P72-ADP/1P72-ADP_decoys.pdbqt | data/1P/1P72-ADP/1P72-ADP_decoy_scores.csv |
1P8H-SQU | data/1P/1P8H-SQU/1P8H-SQU_ligand.pdbqt | data/1P/1P8H-SQU/1P8H-SQU_target.pdbqt | data/1P/1P8H-SQU/1P8H-SQU_decoys.pdbqt | data/1P/1P8H-SQU/1P8H-SQU_decoy_scores.csv |
1PHE-PIY | data/1P/1PHE-PIY/1PHE-PIY_ligand.pdbqt | data/1P/1PHE-PIY/1PHE-PIY_target.pdbqt | data/1P/1PHE-PIY/1PHE-PIY_decoys.pdbqt | data/1P/1PHE-PIY/1PHE-PIY_decoy_scores.csv |
1PHA-PFZ | data/1P/1PHA-PFZ/1PHA-PFZ_ligand.pdbqt | data/1P/1PHA-PFZ/1PHA-PFZ_target.pdbqt | data/1P/1PHA-PFZ/1PHA-PFZ_decoys.pdbqt | data/1P/1PHA-PFZ/1PHA-PFZ_decoy_scores.csv |
1P5B-FMN | data/1P/1P5B-FMN/1P5B-FMN_ligand.pdbqt | data/1P/1P5B-FMN/1P5B-FMN_target.pdbqt | data/1P/1P5B-FMN/1P5B-FMN_decoys.pdbqt | data/1P/1P5B-FMN/1P5B-FMN_decoy_scores.csv |
1PR1-FMB | data/1P/1PR1-FMB/1PR1-FMB_ligand.pdbqt | data/1P/1PR1-FMB/1PR1-FMB_target.pdbqt | data/1P/1PR1-FMB/1PR1-FMB_decoys.pdbqt | data/1P/1PR1-FMB/1PR1-FMB_decoy_scores.csv |
1P39-MGT | data/1P/1P39-MGT/1P39-MGT_ligand.pdbqt | data/1P/1P39-MGT/1P39-MGT_target.pdbqt | data/1P/1P39-MGT/1P39-MGT_decoys.pdbqt | data/1P/1P39-MGT/1P39-MGT_decoy_scores.csv |
1PXJ-CK2 | data/1P/1PXJ-CK2/1PXJ-CK2_ligand.pdbqt | data/1P/1PXJ-CK2/1PXJ-CK2_target.pdbqt | data/1P/1PXJ-CK2/1PXJ-CK2_decoys.pdbqt | data/1P/1PXJ-CK2/1PXJ-CK2_decoy_scores.csv |
1PXP-CK8 | data/1P/1PXP-CK8/1PXP-CK8_ligand.pdbqt | data/1P/1PXP-CK8/1PXP-CK8_target.pdbqt | data/1P/1PXP-CK8/1PXP-CK8_decoys.pdbqt | data/1P/1PXP-CK8/1PXP-CK8_decoy_scores.csv |
1P6I-DP3 | data/1P/1P6I-DP3/1P6I-DP3_ligand.pdbqt | data/1P/1P6I-DP3/1P6I-DP3_target.pdbqt | data/1P/1P6I-DP3/1P6I-DP3_decoys.pdbqt | data/1P/1P6I-DP3/1P6I-DP3_decoy_scores.csv |
1P6J-H4B | data/1P/1P6J-H4B/1P6J-H4B_ligand.pdbqt | data/1P/1P6J-H4B/1P6J-H4B_target.pdbqt | data/1P/1P6J-H4B/1P6J-H4B_decoys.pdbqt | data/1P/1P6J-H4B/1P6J-H4B_decoy_scores.csv |
1P1U-AMQ | data/1P/1P1U-AMQ/1P1U-AMQ_ligand.pdbqt | data/1P/1P1U-AMQ/1P1U-AMQ_target.pdbqt | data/1P/1P1U-AMQ/1P1U-AMQ_decoys.pdbqt | data/1P/1P1U-AMQ/1P1U-AMQ_decoy_scores.csv |
1P72-THM | data/1P/1P72-THM/1P72-THM_ligand.pdbqt | data/1P/1P72-THM/1P72-THM_target.pdbqt | data/1P/1P72-THM/1P72-THM_decoys.pdbqt | data/1P/1P72-THM/1P72-THM_decoy_scores.csv |
1PK8-ATP | data/1P/1PK8-ATP/1PK8-ATP_ligand.pdbqt | data/1P/1PK8-ATP/1PK8-ATP_target.pdbqt | data/1P/1PK8-ATP/1PK8-ATP_decoys.pdbqt | data/1P/1PK8-ATP/1PK8-ATP_decoy_scores.csv |
1P8U-SQU | data/1P/1P8U-SQU/1P8U-SQU_ligand.pdbqt | data/1P/1P8U-SQU/1P8U-SQU_target.pdbqt | data/1P/1P8U-SQU/1P8U-SQU_decoys.pdbqt | data/1P/1P8U-SQU/1P8U-SQU_decoy_scores.csv |
1PGP-6PG | data/1P/1PGP-6PG/1PGP-6PG_ligand.pdbqt | data/1P/1PGP-6PG/1PGP-6PG_target.pdbqt | data/1P/1PGP-6PG/1PGP-6PG_decoys.pdbqt | data/1P/1PGP-6PG/1PGP-6PG_decoy_scores.csv |
1P3D-ANP | data/1P/1P3D-ANP/1P3D-ANP_ligand.pdbqt | data/1P/1P3D-ANP/1P3D-ANP_target.pdbqt | data/1P/1P3D-ANP/1P3D-ANP_decoys.pdbqt | data/1P/1P3D-ANP/1P3D-ANP_decoy_scores.csv |
1PYN-941 | data/1P/1PYN-941/1PYN-941_ligand.pdbqt | data/1P/1PYN-941/1PYN-941_target.pdbqt | data/1P/1PYN-941/1PYN-941_decoys.pdbqt | data/1P/1PYN-941/1PYN-941_decoy_scores.csv |
1PDA-DPM | data/1P/1PDA-DPM/1PDA-DPM_ligand.pdbqt | data/1P/1PDA-DPM/1PDA-DPM_target.pdbqt | data/1P/1PDA-DPM/1PDA-DPM_decoys.pdbqt | data/1P/1PDA-DPM/1PDA-DPM_decoy_scores.csv |
1PYE-PM1 | data/1P/1PYE-PM1/1PYE-PM1_ligand.pdbqt | data/1P/1PYE-PM1/1PYE-PM1_target.pdbqt | data/1P/1PYE-PM1/1PYE-PM1_decoys.pdbqt | data/1P/1PYE-PM1/1PYE-PM1_decoy_scores.csv |
1PY6-RET | data/1P/1PY6-RET/1PY6-RET_ligand.pdbqt | data/1P/1PY6-RET/1PY6-RET_target.pdbqt | data/1P/1PY6-RET/1PY6-RET_decoys.pdbqt | data/1P/1PY6-RET/1PY6-RET_decoy_scores.csv |
1PME-SB2 | data/1P/1PME-SB2/1PME-SB2_ligand.pdbqt | data/1P/1PME-SB2/1PME-SB2_target.pdbqt | data/1P/1PME-SB2/1PME-SB2_decoys.pdbqt | data/1P/1PME-SB2/1PME-SB2_decoy_scores.csv |
1PJK-ANP | data/1P/1PJK-ANP/1PJK-ANP_ligand.pdbqt | data/1P/1PJK-ANP/1PJK-ANP_target.pdbqt | data/1P/1PJK-ANP/1PJK-ANP_decoys.pdbqt | data/1P/1PJK-ANP/1PJK-ANP_decoy_scores.csv |
1PNL-PAC | data/1P/1PNL-PAC/1PNL-PAC_ligand.pdbqt | data/1P/1PNL-PAC/1PNL-PAC_target.pdbqt | data/1P/1PNL-PAC/1PNL-PAC_decoys.pdbqt | data/1P/1PNL-PAC/1PNL-PAC_decoy_scores.csv |
1PPL-1Z7 | data/1P/1PPL-1Z7/1PPL-1Z7_ligand.pdbqt | data/1P/1PPL-1Z7/1PPL-1Z7_target.pdbqt | data/1P/1PPL-1Z7/1PPL-1Z7_decoys.pdbqt | data/1P/1PPL-1Z7/1PPL-1Z7_decoy_scores.csv |
1PQ9-BNS | data/1P/1PQ9-BNS/1PQ9-BNS_ligand.pdbqt | data/1P/1PQ9-BNS/1PQ9-BNS_target.pdbqt | data/1P/1PQ9-BNS/1PQ9-BNS_decoys.pdbqt | data/1P/1PQ9-BNS/1PQ9-BNS_decoy_scores.csv |
1PKF-EPD | data/1P/1PKF-EPD/1PKF-EPD_ligand.pdbqt | data/1P/1PKF-EPD/1PKF-EPD_target.pdbqt | data/1P/1PKF-EPD/1PKF-EPD_decoys.pdbqt | data/1P/1PKF-EPD/1PKF-EPD_decoy_scores.csv |
1PPM-ARA | data/1P/1PPM-ARA/1PPM-ARA_ligand.pdbqt | data/1P/1PPM-ARA/1PPM-ARA_target.pdbqt | data/1P/1PPM-ARA/1PPM-ARA_decoys.pdbqt | data/1P/1PPM-ARA/1PPM-ARA_decoy_scores.csv |
1PJ4-ATP | data/1P/1PJ4-ATP/1PJ4-ATP_ligand.pdbqt | data/1P/1PJ4-ATP/1PJ4-ATP_target.pdbqt | data/1P/1PJ4-ATP/1PJ4-ATP_decoys.pdbqt | data/1P/1PJ4-ATP/1PJ4-ATP_decoy_scores.csv |
1P7P-MPH | data/1P/1P7P-MPH/1P7P-MPH_ligand.pdbqt | data/1P/1P7P-MPH/1P7P-MPH_target.pdbqt | data/1P/1P7P-MPH/1P7P-MPH_decoys.pdbqt | data/1P/1P7P-MPH/1P7P-MPH_decoy_scores.csv |
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