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 ⌀ |
|---|---|---|---|---|
1ZDW-FLV | data/1Z/1ZDW-FLV/1ZDW-FLV_ligand.pdbqt | data/1Z/1ZDW-FLV/1ZDW-FLV_target.pdbqt | data/1Z/1ZDW-FLV/1ZDW-FLV_decoys.pdbqt | data/1Z/1ZDW-FLV/1ZDW-FLV_decoy_scores.csv |
1ZN8-AMP | data/1Z/1ZN8-AMP/1ZN8-AMP_ligand.pdbqt | data/1Z/1ZN8-AMP/1ZN8-AMP_target.pdbqt | data/1Z/1ZN8-AMP/1ZN8-AMP_decoys.pdbqt | data/1Z/1ZN8-AMP/1ZN8-AMP_decoy_scores.csv |
1ZCH-FMN | data/1Z/1ZCH-FMN/1ZCH-FMN_ligand.pdbqt | data/1Z/1ZCH-FMN/1ZCH-FMN_target.pdbqt | data/1Z/1ZCH-FMN/1ZCH-FMN_decoys.pdbqt | data/1Z/1ZCH-FMN/1ZCH-FMN_decoy_scores.csv |
1Z22-GDP | data/1Z/1Z22-GDP/1Z22-GDP_ligand.pdbqt | data/1Z/1Z22-GDP/1Z22-GDP_target.pdbqt | data/1Z/1Z22-GDP/1Z22-GDP_decoys.pdbqt | data/1Z/1Z22-GDP/1Z22-GDP_decoy_scores.csv |
1ZVX-FIN | data/1Z/1ZVX-FIN/1ZVX-FIN_ligand.pdbqt | data/1Z/1ZVX-FIN/1ZVX-FIN_target.pdbqt | data/1Z/1ZVX-FIN/1ZVX-FIN_decoys.pdbqt | data/1Z/1ZVX-FIN/1ZVX-FIN_decoy_scores.csv |
1ZG8-L98 | data/1Z/1ZG8-L98/1ZG8-L98_ligand.pdbqt | data/1Z/1ZG8-L98/1ZG8-L98_target.pdbqt | data/1Z/1ZG8-L98/1ZG8-L98_decoys.pdbqt | data/1Z/1ZG8-L98/1ZG8-L98_decoy_scores.csv |
1Z45-UPG | data/1Z/1Z45-UPG/1Z45-UPG_ligand.pdbqt | data/1Z/1Z45-UPG/1Z45-UPG_target.pdbqt | data/1Z/1Z45-UPG/1Z45-UPG_decoys.pdbqt | data/1Z/1Z45-UPG/1Z45-UPG_decoy_scores.csv |
1ZEO-C01 | data/1Z/1ZEO-C01/1ZEO-C01_ligand.pdbqt | data/1Z/1ZEO-C01/1ZEO-C01_target.pdbqt | data/1Z/1ZEO-C01/1ZEO-C01_decoys.pdbqt | data/1Z/1ZEO-C01/1ZEO-C01_decoy_scores.csv |
1ZJO-UDP | data/1Z/1ZJO-UDP/1ZJO-UDP_ligand.pdbqt | data/1Z/1ZJO-UDP/1ZJO-UDP_target.pdbqt | data/1Z/1ZJO-UDP/1ZJO-UDP_decoys.pdbqt | data/1Z/1ZJO-UDP/1ZJO-UDP_decoy_scores.csv |
1ZJP-UDP | data/1Z/1ZJP-UDP/1ZJP-UDP_ligand.pdbqt | data/1Z/1ZJP-UDP/1ZJP-UDP_target.pdbqt | data/1Z/1ZJP-UDP/1ZJP-UDP_decoys.pdbqt | data/1Z/1ZJP-UDP/1ZJP-UDP_decoy_scores.csv |
1Z45-GAL | data/1Z/1Z45-GAL/1Z45-GAL_ligand.pdbqt | data/1Z/1Z45-GAL/1Z45-GAL_target.pdbqt | data/1Z/1Z45-GAL/1Z45-GAL_decoys.pdbqt | data/1Z/1Z45-GAL/1Z45-GAL_decoy_scores.csv |
1Z53-PP9 | data/1Z/1Z53-PP9/1Z53-PP9_ligand.pdbqt | data/1Z/1Z53-PP9/1Z53-PP9_target.pdbqt | data/1Z/1Z53-PP9/1Z53-PP9_decoys.pdbqt | data/1Z/1Z53-PP9/1Z53-PP9_decoy_scores.csv |
1ZCM-C1N | data/1Z/1ZCM-C1N/1ZCM-C1N_ligand.pdbqt | data/1Z/1ZCM-C1N/1ZCM-C1N_target.pdbqt | data/1Z/1ZCM-C1N/1ZCM-C1N_decoys.pdbqt | data/1Z/1ZCM-C1N/1ZCM-C1N_decoy_scores.csv |
1Z57-DBQ | data/1Z/1Z57-DBQ/1Z57-DBQ_ligand.pdbqt | data/1Z/1Z57-DBQ/1Z57-DBQ_target.pdbqt | data/1Z/1Z57-DBQ/1Z57-DBQ_decoys.pdbqt | data/1Z/1Z57-DBQ/1Z57-DBQ_decoy_scores.csv |
1ZAI-2FP | data/1Z/1ZAI-2FP/1ZAI-2FP_ligand.pdbqt | data/1Z/1ZAI-2FP/1ZAI-2FP_target.pdbqt | data/1Z/1ZAI-2FP/1ZAI-2FP_decoys.pdbqt | data/1Z/1ZAI-2FP/1ZAI-2FP_decoy_scores.csv |
1ZG3-SAH | data/1Z/1ZG3-SAH/1ZG3-SAH_ligand.pdbqt | data/1Z/1ZG3-SAH/1ZG3-SAH_target.pdbqt | data/1Z/1ZG3-SAH/1ZG3-SAH_decoys.pdbqt | data/1Z/1ZG3-SAH/1ZG3-SAH_decoy_scores.csv |
1ZZS-H4B | data/1Z/1ZZS-H4B/1ZZS-H4B_ligand.pdbqt | data/1Z/1ZZS-H4B/1ZZS-H4B_target.pdbqt | null | null |
1ZJI-R5P | data/1Z/1ZJI-R5P/1ZJI-R5P_ligand.pdbqt | data/1Z/1ZJI-R5P/1ZJI-R5P_target.pdbqt | data/1Z/1ZJI-R5P/1ZJI-R5P_decoys.pdbqt | data/1Z/1ZJI-R5P/1ZJI-R5P_decoy_scores.csv |
1Z03-OCH | data/1Z/1Z03-OCH/1Z03-OCH_ligand.pdbqt | data/1Z/1Z03-OCH/1Z03-OCH_target.pdbqt | data/1Z/1Z03-OCH/1Z03-OCH_decoys.pdbqt | data/1Z/1Z03-OCH/1Z03-OCH_decoy_scores.csv |
1ZGA-SAH | data/1Z/1ZGA-SAH/1ZGA-SAH_ligand.pdbqt | data/1Z/1ZGA-SAH/1ZGA-SAH_target.pdbqt | data/1Z/1ZGA-SAH/1ZGA-SAH_decoys.pdbqt | data/1Z/1ZGA-SAH/1ZGA-SAH_decoy_scores.csv |
1Z3W-IDC | data/1Z/1Z3W-IDC/1Z3W-IDC_ligand.pdbqt | data/1Z/1Z3W-IDC/1Z3W-IDC_target.pdbqt | data/1Z/1Z3W-IDC/1Z3W-IDC_decoys.pdbqt | data/1Z/1Z3W-IDC/1Z3W-IDC_decoy_scores.csv |
1ZVR-3PI | data/1Z/1ZVR-3PI/1ZVR-3PI_ligand.pdbqt | data/1Z/1ZVR-3PI/1ZVR-3PI_target.pdbqt | data/1Z/1ZVR-3PI/1ZVR-3PI_decoys.pdbqt | data/1Z/1ZVR-3PI/1ZVR-3PI_decoy_scores.csv |
1ZVW-PRP | data/1Z/1ZVW-PRP/1ZVW-PRP_ligand.pdbqt | data/1Z/1ZVW-PRP/1ZVW-PRP_target.pdbqt | data/1Z/1ZVW-PRP/1ZVW-PRP_decoys.pdbqt | data/1Z/1ZVW-PRP/1ZVW-PRP_decoy_scores.csv |
1ZAO-ATP | data/1Z/1ZAO-ATP/1ZAO-ATP_ligand.pdbqt | data/1Z/1ZAO-ATP/1ZAO-ATP_target.pdbqt | data/1Z/1ZAO-ATP/1ZAO-ATP_decoys.pdbqt | data/1Z/1ZAO-ATP/1ZAO-ATP_decoy_scores.csv |
1ZSL-624 | data/1Z/1ZSL-624/1ZSL-624_ligand.pdbqt | data/1Z/1ZSL-624/1ZSL-624_target.pdbqt | data/1Z/1ZSL-624/1ZSL-624_decoys.pdbqt | data/1Z/1ZSL-624/1ZSL-624_decoy_scores.csv |
1ZEM-NAD | data/1Z/1ZEM-NAD/1ZEM-NAD_ligand.pdbqt | data/1Z/1ZEM-NAD/1ZEM-NAD_target.pdbqt | data/1Z/1ZEM-NAD/1ZEM-NAD_decoys.pdbqt | data/1Z/1ZEM-NAD/1ZEM-NAD_decoy_scores.csv |
1Z45-NAD | data/1Z/1Z45-NAD/1Z45-NAD_ligand.pdbqt | data/1Z/1Z45-NAD/1Z45-NAD_target.pdbqt | data/1Z/1Z45-NAD/1Z45-NAD_decoys.pdbqt | data/1Z/1Z45-NAD/1Z45-NAD_decoy_scores.csv |
1ZZQ-MTL | data/1Z/1ZZQ-MTL/1ZZQ-MTL_ligand.pdbqt | data/1Z/1ZZQ-MTL/1ZZQ-MTL_target.pdbqt | data/1Z/1ZZQ-MTL/1ZZQ-MTL_decoys.pdbqt | data/1Z/1ZZQ-MTL/1ZZQ-MTL_decoy_scores.csv |
1ZZT-H4B | data/1Z/1ZZT-H4B/1ZZT-H4B_ligand.pdbqt | data/1Z/1ZZT-H4B/1ZZT-H4B_target.pdbqt | null | null |
1ZHY-CLR | data/1Z/1ZHY-CLR/1ZHY-CLR_ligand.pdbqt | data/1Z/1ZHY-CLR/1ZHY-CLR_target.pdbqt | null | null |
1Z76-PBP | data/1Z/1Z76-PBP/1Z76-PBP_ligand.pdbqt | data/1Z/1Z76-PBP/1Z76-PBP_target.pdbqt | data/1Z/1Z76-PBP/1Z76-PBP_decoys.pdbqt | data/1Z/1Z76-PBP/1Z76-PBP_decoy_scores.csv |
1ZG7-P20 | data/1Z/1ZG7-P20/1ZG7-P20_ligand.pdbqt | data/1Z/1ZG7-P20/1ZG7-P20_target.pdbqt | data/1Z/1ZG7-P20/1ZG7-P20_decoys.pdbqt | data/1Z/1ZG7-P20/1ZG7-P20_decoy_scores.csv |
1ZLT-HYM | data/1Z/1ZLT-HYM/1ZLT-HYM_ligand.pdbqt | data/1Z/1ZLT-HYM/1ZLT-HYM_target.pdbqt | data/1Z/1ZLT-HYM/1ZLT-HYM_decoys.pdbqt | data/1Z/1ZLT-HYM/1ZLT-HYM_decoy_scores.csv |
1Z0A-GDP | data/1Z/1Z0A-GDP/1Z0A-GDP_ligand.pdbqt | data/1Z/1Z0A-GDP/1Z0A-GDP_target.pdbqt | data/1Z/1Z0A-GDP/1Z0A-GDP_decoys.pdbqt | data/1Z/1Z0A-GDP/1Z0A-GDP_decoy_scores.csv |
1Z06-GNP | data/1Z/1Z06-GNP/1Z06-GNP_ligand.pdbqt | data/1Z/1Z06-GNP/1Z06-GNP_target.pdbqt | data/1Z/1Z06-GNP/1Z06-GNP_decoys.pdbqt | data/1Z/1Z06-GNP/1Z06-GNP_decoy_scores.csv |
1ZHT-HCR | data/1Z/1ZHT-HCR/1ZHT-HCR_ligand.pdbqt | data/1Z/1ZHT-HCR/1ZHT-HCR_target.pdbqt | data/1Z/1ZHT-HCR/1ZHT-HCR_decoys.pdbqt | data/1Z/1ZHT-HCR/1ZHT-HCR_decoy_scores.csv |
1ZLQ-EDT | data/1Z/1ZLQ-EDT/1ZLQ-EDT_ligand.pdbqt | data/1Z/1ZLQ-EDT/1ZLQ-EDT_target.pdbqt | data/1Z/1ZLQ-EDT/1ZLQ-EDT_decoys.pdbqt | data/1Z/1ZLQ-EDT/1ZLQ-EDT_decoy_scores.csv |
1Z6T-ADP | data/1Z/1Z6T-ADP/1Z6T-ADP_ligand.pdbqt | data/1Z/1Z6T-ADP/1Z6T-ADP_target.pdbqt | data/1Z/1Z6T-ADP/1Z6T-ADP_decoys.pdbqt | data/1Z/1Z6T-ADP/1Z6T-ADP_decoy_scores.csv |
5RXW-T1S | data/5R/5RXW-T1S/5RXW-T1S_ligand.pdbqt | data/5R/5RXW-T1S/5RXW-T1S_target.pdbqt | data/5R/5RXW-T1S/5RXW-T1S_decoys.pdbqt | data/5R/5RXW-T1S/5RXW-T1S_decoy_scores.csv |
5RVB-7PD | data/5R/5RVB-7PD/5RVB-7PD_ligand.pdbqt | data/5R/5RVB-7PD/5RVB-7PD_target.pdbqt | data/5R/5RVB-7PD/5RVB-7PD_decoys.pdbqt | data/5R/5RVB-7PD/5RVB-7PD_decoy_scores.csv |
5RE9-LPZ | data/5R/5RE9-LPZ/5RE9-LPZ_ligand.pdbqt | data/5R/5RE9-LPZ/5RE9-LPZ_target.pdbqt | data/5R/5RE9-LPZ/5RE9-LPZ_decoys.pdbqt | data/5R/5RE9-LPZ/5RE9-LPZ_decoy_scores.csv |
5RY6-O1M | data/5R/5RY6-O1M/5RY6-O1M_ligand.pdbqt | data/5R/5RY6-O1M/5RY6-O1M_target.pdbqt | data/5R/5RY6-O1M/5RY6-O1M_decoys.pdbqt | data/5R/5RY6-O1M/5RY6-O1M_decoy_scores.csv |
5R5L-S2S | data/5R/5R5L-S2S/5R5L-S2S_ligand.pdbqt | data/5R/5R5L-S2S/5R5L-S2S_target.pdbqt | data/5R/5R5L-S2S/5R5L-S2S_decoys.pdbqt | data/5R/5R5L-S2S/5R5L-S2S_decoy_scores.csv |
5RSZ-ZZA | data/5R/5RSZ-ZZA/5RSZ-ZZA_ligand.pdbqt | data/5R/5RSZ-ZZA/5RSZ-ZZA_target.pdbqt | data/5R/5RSZ-ZZA/5RSZ-ZZA_decoys.pdbqt | data/5R/5RSZ-ZZA/5RSZ-ZZA_decoy_scores.csv |
5RTN-AQO | data/5R/5RTN-AQO/5RTN-AQO_ligand.pdbqt | data/5R/5RTN-AQO/5RTN-AQO_target.pdbqt | data/5R/5RTN-AQO/5RTN-AQO_decoys.pdbqt | data/5R/5RTN-AQO/5RTN-AQO_decoy_scores.csv |
5R9S-A9B | data/5R/5R9S-A9B/5R9S-A9B_ligand.pdbqt | data/5R/5R9S-A9B/5R9S-A9B_target.pdbqt | data/5R/5R9S-A9B/5R9S-A9B_decoys.pdbqt | data/5R/5R9S-A9B/5R9S-A9B_decoy_scores.csv |
5RLF-NY7 | data/5R/5RLF-NY7/5RLF-NY7_ligand.pdbqt | data/5R/5RLF-NY7/5RLF-NY7_target.pdbqt | data/5R/5RLF-NY7/5RLF-NY7_decoys.pdbqt | data/5R/5RLF-NY7/5RLF-NY7_decoy_scores.csv |
5RHE-UPD | data/5R/5RHE-UPD/5RHE-UPD_ligand.pdbqt | data/5R/5RHE-UPD/5RHE-UPD_target.pdbqt | data/5R/5RHE-UPD/5RHE-UPD_decoys.pdbqt | data/5R/5RHE-UPD/5RHE-UPD_decoy_scores.csv |
5RYD-WKV | data/5R/5RYD-WKV/5RYD-WKV_ligand.pdbqt | data/5R/5RYD-WKV/5RYD-WKV_target.pdbqt | data/5R/5RYD-WKV/5RYD-WKV_decoys.pdbqt | data/5R/5RYD-WKV/5RYD-WKV_decoy_scores.csv |
5RU8-1SQ | data/5R/5RU8-1SQ/5RU8-1SQ_ligand.pdbqt | data/5R/5RU8-1SQ/5RU8-1SQ_target.pdbqt | data/5R/5RU8-1SQ/5RU8-1SQ_decoys.pdbqt | data/5R/5RU8-1SQ/5RU8-1SQ_decoy_scores.csv |
5RA0-JFS | data/5R/5RA0-JFS/5RA0-JFS_ligand.pdbqt | data/5R/5RA0-JFS/5RA0-JFS_target.pdbqt | data/5R/5RA0-JFS/5RA0-JFS_decoys.pdbqt | data/5R/5RA0-JFS/5RA0-JFS_decoy_scores.csv |
5RJL-UUG | data/5R/5RJL-UUG/5RJL-UUG_ligand.pdbqt | data/5R/5RJL-UUG/5RJL-UUG_target.pdbqt | data/5R/5RJL-UUG/5RJL-UUG_decoys.pdbqt | data/5R/5RJL-UUG/5RJL-UUG_decoy_scores.csv |
5RHO-UQV | data/5R/5RHO-UQV/5RHO-UQV_ligand.pdbqt | data/5R/5RHO-UQV/5RHO-UQV_target.pdbqt | data/5R/5RHO-UQV/5RHO-UQV_decoys.pdbqt | data/5R/5RHO-UQV/5RHO-UQV_decoy_scores.csv |
5RY8-B1J | data/5R/5RY8-B1J/5RY8-B1J_ligand.pdbqt | data/5R/5RY8-B1J/5RY8-B1J_target.pdbqt | data/5R/5RY8-B1J/5RY8-B1J_decoys.pdbqt | data/5R/5RY8-B1J/5RY8-B1J_decoy_scores.csv |
5RAF-S5G | data/5R/5RAF-S5G/5RAF-S5G_ligand.pdbqt | data/5R/5RAF-S5G/5RAF-S5G_target.pdbqt | data/5R/5RAF-S5G/5RAF-S5G_decoys.pdbqt | data/5R/5RAF-S5G/5RAF-S5G_decoy_scores.csv |
5R69-ZHA | data/5R/5R69-ZHA/5R69-ZHA_ligand.pdbqt | data/5R/5R69-ZHA/5R69-ZHA_target.pdbqt | data/5R/5R69-ZHA/5R69-ZHA_decoys.pdbqt | data/5R/5R69-ZHA/5R69-ZHA_decoy_scores.csv |
5RFW-T8M | data/5R/5RFW-T8M/5RFW-T8M_ligand.pdbqt | data/5R/5RFW-T8M/5RFW-T8M_target.pdbqt | data/5R/5RFW-T8M/5RFW-T8M_decoys.pdbqt | data/5R/5RFW-T8M/5RFW-T8M_decoy_scores.csv |
5RKB-UWG | data/5R/5RKB-UWG/5RKB-UWG_ligand.pdbqt | data/5R/5RKB-UWG/5RKB-UWG_target.pdbqt | data/5R/5RKB-UWG/5RKB-UWG_decoys.pdbqt | data/5R/5RKB-UWG/5RKB-UWG_decoy_scores.csv |
5RY3-WKA | data/5R/5RY3-WKA/5RY3-WKA_ligand.pdbqt | data/5R/5RY3-WKA/5RY3-WKA_target.pdbqt | data/5R/5RY3-WKA/5RY3-WKA_decoys.pdbqt | data/5R/5RY3-WKA/5RY3-WKA_decoy_scores.csv |
5RAX-S9J | data/5R/5RAX-S9J/5RAX-S9J_ligand.pdbqt | data/5R/5RAX-S9J/5RAX-S9J_target.pdbqt | data/5R/5RAX-S9J/5RAX-S9J_decoys.pdbqt | data/5R/5RAX-S9J/5RAX-S9J_decoy_scores.csv |
5R90-SNJ | data/5R/5R90-SNJ/5R90-SNJ_ligand.pdbqt | data/5R/5R90-SNJ/5R90-SNJ_target.pdbqt | data/5R/5R90-SNJ/5R90-SNJ_decoys.pdbqt | data/5R/5R90-SNJ/5R90-SNJ_decoy_scores.csv |
5R9Q-LVD | data/5R/5R9Q-LVD/5R9Q-LVD_ligand.pdbqt | data/5R/5R9Q-LVD/5R9Q-LVD_target.pdbqt | data/5R/5R9Q-LVD/5R9Q-LVD_decoys.pdbqt | data/5R/5R9Q-LVD/5R9Q-LVD_decoy_scores.csv |
5RFX-T8P | data/5R/5RFX-T8P/5RFX-T8P_ligand.pdbqt | data/5R/5RFX-T8P/5RFX-T8P_target.pdbqt | data/5R/5RFX-T8P/5RFX-T8P_decoys.pdbqt | data/5R/5RFX-T8P/5RFX-T8P_decoy_scores.csv |
5RGM-U1D | data/5R/5RGM-U1D/5RGM-U1D_ligand.pdbqt | data/5R/5RGM-U1D/5RGM-U1D_target.pdbqt | data/5R/5RGM-U1D/5RGM-U1D_decoys.pdbqt | data/5R/5RGM-U1D/5RGM-U1D_decoy_scores.csv |
5RXZ-WKD | data/5R/5RXZ-WKD/5RXZ-WKD_ligand.pdbqt | data/5R/5RXZ-WKD/5RXZ-WKD_target.pdbqt | data/5R/5RXZ-WKD/5RXZ-WKD_decoys.pdbqt | data/5R/5RXZ-WKD/5RXZ-WKD_decoy_scores.csv |
5RG0-T8Y | data/5R/5RG0-T8Y/5RG0-T8Y_ligand.pdbqt | data/5R/5RG0-T8Y/5RG0-T8Y_target.pdbqt | data/5R/5RG0-T8Y/5RG0-T8Y_decoys.pdbqt | data/5R/5RG0-T8Y/5RG0-T8Y_decoy_scores.csv |
5RYZ-NVY | data/5R/5RYZ-NVY/5RYZ-NVY_ligand.pdbqt | data/5R/5RYZ-NVY/5RYZ-NVY_target.pdbqt | data/5R/5RYZ-NVY/5RYZ-NVY_decoys.pdbqt | data/5R/5RYZ-NVY/5RYZ-NVY_decoy_scores.csv |
5RKH-LPZ | data/5R/5RKH-LPZ/5RKH-LPZ_ligand.pdbqt | data/5R/5RKH-LPZ/5RKH-LPZ_target.pdbqt | data/5R/5RKH-LPZ/5RKH-LPZ_decoys.pdbqt | data/5R/5RKH-LPZ/5RKH-LPZ_decoy_scores.csv |
5REE-T1M | data/5R/5REE-T1M/5REE-T1M_ligand.pdbqt | data/5R/5REE-T1M/5REE-T1M_target.pdbqt | data/5R/5REE-T1M/5REE-T1M_decoys.pdbqt | data/5R/5REE-T1M/5REE-T1M_decoy_scores.csv |
5R9C-7ZC | data/5R/5R9C-7ZC/5R9C-7ZC_ligand.pdbqt | data/5R/5R9C-7ZC/5R9C-7ZC_target.pdbqt | data/5R/5R9C-7ZC/5R9C-7ZC_decoys.pdbqt | data/5R/5R9C-7ZC/5R9C-7ZC_decoy_scores.csv |
5RGL-U0Y | data/5R/5RGL-U0Y/5RGL-U0Y_ligand.pdbqt | data/5R/5RGL-U0Y/5RGL-U0Y_target.pdbqt | data/5R/5RGL-U0Y/5RGL-U0Y_decoys.pdbqt | data/5R/5RGL-U0Y/5RGL-U0Y_decoy_scores.csv |
5RL7-VVD | data/5R/5RL7-VVD/5RL7-VVD_ligand.pdbqt | data/5R/5RL7-VVD/5RL7-VVD_target.pdbqt | data/5R/5RL7-VVD/5RL7-VVD_decoys.pdbqt | data/5R/5RL7-VVD/5RL7-VVD_decoy_scores.csv |
5R5T-RWS | data/5R/5R5T-RWS/5R5T-RWS_ligand.pdbqt | data/5R/5R5T-RWS/5R5T-RWS_target.pdbqt | data/5R/5R5T-RWS/5R5T-RWS_decoys.pdbqt | data/5R/5R5T-RWS/5R5T-RWS_decoy_scores.csv |
5RE4-SZY | data/5R/5RE4-SZY/5RE4-SZY_ligand.pdbqt | data/5R/5RE4-SZY/5RE4-SZY_target.pdbqt | data/5R/5RE4-SZY/5RE4-SZY_decoys.pdbqt | data/5R/5RE4-SZY/5RE4-SZY_decoy_scores.csv |
5RSQ-MOK | data/5R/5RSQ-MOK/5RSQ-MOK_ligand.pdbqt | data/5R/5RSQ-MOK/5RSQ-MOK_target.pdbqt | data/5R/5RSQ-MOK/5RSQ-MOK_decoys.pdbqt | data/5R/5RSQ-MOK/5RSQ-MOK_decoy_scores.csv |
5RAE-S5A | data/5R/5RAE-S5A/5RAE-S5A_ligand.pdbqt | data/5R/5RAE-S5A/5RAE-S5A_target.pdbqt | data/5R/5RAE-S5A/5RAE-S5A_decoys.pdbqt | data/5R/5RAE-S5A/5RAE-S5A_decoy_scores.csv |
5RB5-S9S | data/5R/5RB5-S9S/5RB5-S9S_ligand.pdbqt | data/5R/5RB5-S9S/5RB5-S9S_target.pdbqt | data/5R/5RB5-S9S/5RB5-S9S_decoys.pdbqt | data/5R/5RB5-S9S/5RB5-S9S_decoy_scores.csv |
5RFK-T7D | data/5R/5RFK-T7D/5RFK-T7D_ligand.pdbqt | data/5R/5RFK-T7D/5RFK-T7D_target.pdbqt | data/5R/5RFK-T7D/5RFK-T7D_decoys.pdbqt | data/5R/5RFK-T7D/5RFK-T7D_decoy_scores.csv |
5RGB-6NT | data/5R/5RGB-6NT/5RGB-6NT_ligand.pdbqt | data/5R/5RGB-6NT/5RGB-6NT_target.pdbqt | data/5R/5RGB-6NT/5RGB-6NT_decoys.pdbqt | data/5R/5RGB-6NT/5RGB-6NT_decoy_scores.csv |
5RVU-6P3 | data/5R/5RVU-6P3/5RVU-6P3_ligand.pdbqt | data/5R/5RVU-6P3/5RVU-6P3_target.pdbqt | data/5R/5RVU-6P3/5RVU-6P3_decoys.pdbqt | data/5R/5RVU-6P3/5RVU-6P3_decoy_scores.csv |
5RTF-ISN | data/5R/5RTF-ISN/5RTF-ISN_ligand.pdbqt | data/5R/5RTF-ISN/5RTF-ISN_target.pdbqt | data/5R/5RTF-ISN/5RTF-ISN_decoys.pdbqt | data/5R/5RTF-ISN/5RTF-ISN_decoy_scores.csv |
5RGZ-UH1 | data/5R/5RGZ-UH1/5RGZ-UH1_ligand.pdbqt | data/5R/5RGZ-UH1/5RGZ-UH1_target.pdbqt | data/5R/5RGZ-UH1/5RGZ-UH1_decoys.pdbqt | data/5R/5RGZ-UH1/5RGZ-UH1_decoy_scores.csv |
5RVX-B0Y | data/5R/5RVX-B0Y/5RVX-B0Y_ligand.pdbqt | data/5R/5RVX-B0Y/5RVX-B0Y_target.pdbqt | data/5R/5RVX-B0Y/5RVX-B0Y_decoys.pdbqt | data/5R/5RVX-B0Y/5RVX-B0Y_decoy_scores.csv |
5R26-RCV | data/5R/5R26-RCV/5R26-RCV_ligand.pdbqt | data/5R/5R26-RCV/5R26-RCV_target.pdbqt | data/5R/5R26-RCV/5R26-RCV_decoys.pdbqt | data/5R/5R26-RCV/5R26-RCV_decoy_scores.csv |
5RTY-HBD | data/5R/5RTY-HBD/5RTY-HBD_ligand.pdbqt | data/5R/5RTY-HBD/5RTY-HBD_target.pdbqt | data/5R/5RTY-HBD/5RTY-HBD_decoys.pdbqt | data/5R/5RTY-HBD/5RTY-HBD_decoy_scores.csv |
5R96-SQ7 | data/5R/5R96-SQ7/5R96-SQ7_ligand.pdbqt | data/5R/5R96-SQ7/5R96-SQ7_target.pdbqt | data/5R/5R96-SQ7/5R96-SQ7_decoys.pdbqt | data/5R/5R96-SQ7/5R96-SQ7_decoy_scores.csv |
5RZM-WHY | data/5R/5RZM-WHY/5RZM-WHY_ligand.pdbqt | data/5R/5RZM-WHY/5RZM-WHY_target.pdbqt | data/5R/5RZM-WHY/5RZM-WHY_decoys.pdbqt | data/5R/5RZM-WHY/5RZM-WHY_decoy_scores.csv |
5RFF-T6M | data/5R/5RFF-T6M/5RFF-T6M_ligand.pdbqt | data/5R/5RFF-T6M/5RFF-T6M_target.pdbqt | data/5R/5RFF-T6M/5RFF-T6M_decoys.pdbqt | data/5R/5RFF-T6M/5RFF-T6M_decoy_scores.csv |
5RJN-UUV | data/5R/5RJN-UUV/5RJN-UUV_ligand.pdbqt | data/5R/5RJN-UUV/5RJN-UUV_target.pdbqt | data/5R/5RJN-UUV/5RJN-UUV_decoys.pdbqt | data/5R/5RJN-UUV/5RJN-UUV_decoy_scores.csv |
5RTK-BZX | data/5R/5RTK-BZX/5RTK-BZX_ligand.pdbqt | data/5R/5RTK-BZX/5RTK-BZX_target.pdbqt | data/5R/5RTK-BZX/5RTK-BZX_decoys.pdbqt | data/5R/5RTK-BZX/5RTK-BZX_decoy_scores.csv |
5RLY-K34 | data/5R/5RLY-K34/5RLY-K34_ligand.pdbqt | data/5R/5RLY-K34/5RLY-K34_target.pdbqt | data/5R/5RLY-K34/5RLY-K34_decoys.pdbqt | data/5R/5RLY-K34/5RLY-K34_decoy_scores.csv |
5R65-K0Y | data/5R/5R65-K0Y/5R65-K0Y_ligand.pdbqt | data/5R/5R65-K0Y/5R65-K0Y_target.pdbqt | data/5R/5R65-K0Y/5R65-K0Y_decoys.pdbqt | data/5R/5R65-K0Y/5R65-K0Y_decoy_scores.csv |
5RAJ-W77 | data/5R/5RAJ-W77/5RAJ-W77_ligand.pdbqt | data/5R/5RAJ-W77/5RAJ-W77_target.pdbqt | data/5R/5RAJ-W77/5RAJ-W77_decoys.pdbqt | data/5R/5RAJ-W77/5RAJ-W77_decoy_scores.csv |
5RTO-4PN | data/5R/5RTO-4PN/5RTO-4PN_ligand.pdbqt | data/5R/5RTO-4PN/5RTO-4PN_target.pdbqt | data/5R/5RTO-4PN/5RTO-4PN_decoys.pdbqt | data/5R/5RTO-4PN/5RTO-4PN_decoy_scores.csv |
5RXX-WKG | data/5R/5RXX-WKG/5RXX-WKG_ligand.pdbqt | data/5R/5RXX-WKG/5RXX-WKG_target.pdbqt | data/5R/5RXX-WKG/5RXX-WKG_decoys.pdbqt | data/5R/5RXX-WKG/5RXX-WKG_decoy_scores.csv |
5RWQ-K0G | data/5R/5RWQ-K0G/5RWQ-K0G_ligand.pdbqt | data/5R/5RWQ-K0G/5RWQ-K0G_target.pdbqt | data/5R/5RWQ-K0G/5RWQ-K0G_decoys.pdbqt | data/5R/5RWQ-K0G/5RWQ-K0G_decoy_scores.csv |
5R8Q-JGY | data/5R/5R8Q-JGY/5R8Q-JGY_ligand.pdbqt | data/5R/5R8Q-JGY/5R8Q-JGY_target.pdbqt | data/5R/5R8Q-JGY/5R8Q-JGY_decoys.pdbqt | data/5R/5R8Q-JGY/5R8Q-JGY_decoy_scores.csv |
5RKN-NUA | data/5R/5RKN-NUA/5RKN-NUA_ligand.pdbqt | data/5R/5RKN-NUA/5RKN-NUA_target.pdbqt | data/5R/5RKN-NUA/5RKN-NUA_decoys.pdbqt | data/5R/5RKN-NUA/5RKN-NUA_decoy_scores.csv |
5RSC-W5S | data/5R/5RSC-W5S/5RSC-W5S_ligand.pdbqt | data/5R/5RSC-W5S/5RSC-W5S_target.pdbqt | data/5R/5RSC-W5S/5RSC-W5S_decoys.pdbqt | data/5R/5RSC-W5S/5RSC-W5S_decoy_scores.csv |
5RWU-WNA | data/5R/5RWU-WNA/5RWU-WNA_ligand.pdbqt | data/5R/5RWU-WNA/5RWU-WNA_target.pdbqt | data/5R/5RWU-WNA/5RWU-WNA_decoys.pdbqt | data/5R/5RWU-WNA/5RWU-WNA_decoy_scores.csv |
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