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 ⌀ |
|---|---|---|---|---|
4A91-GLU | data/4A/4A91-GLU/4A91-GLU_ligand.pdbqt | data/4A/4A91-GLU/4A91-GLU_target.pdbqt | data/4A/4A91-GLU/4A91-GLU_decoys.pdbqt | data/4A/4A91-GLU/4A91-GLU_decoy_scores.csv |
4AOU-ICT | data/4A/4AOU-ICT/4AOU-ICT_ligand.pdbqt | data/4A/4AOU-ICT/4AOU-ICT_target.pdbqt | data/4A/4AOU-ICT/4AOU-ICT_decoys.pdbqt | data/4A/4AOU-ICT/4AOU-ICT_decoy_scores.csv |
4AUY-HNW | data/4A/4AUY-HNW/4AUY-HNW_ligand.pdbqt | data/4A/4AUY-HNW/4AUY-HNW_target.pdbqt | data/4A/4AUY-HNW/4AUY-HNW_decoys.pdbqt | data/4A/4AUY-HNW/4AUY-HNW_decoy_scores.csv |
4A80-2AN | data/4A/4A80-2AN/4A80-2AN_ligand.pdbqt | data/4A/4A80-2AN/4A80-2AN_target.pdbqt | data/4A/4A80-2AN/4A80-2AN_decoys.pdbqt | data/4A/4A80-2AN/4A80-2AN_decoy_scores.csv |
4AHT-Q6T | data/4A/4AHT-Q6T/4AHT-Q6T_ligand.pdbqt | data/4A/4AHT-Q6T/4AHT-Q6T_target.pdbqt | data/4A/4AHT-Q6T/4AHT-Q6T_decoys.pdbqt | data/4A/4AHT-Q6T/4AHT-Q6T_decoy_scores.csv |
4AFQ-FLC | data/4A/4AFQ-FLC/4AFQ-FLC_ligand.pdbqt | data/4A/4AFQ-FLC/4AFQ-FLC_target.pdbqt | data/4A/4AFQ-FLC/4AFQ-FLC_decoys.pdbqt | data/4A/4AFQ-FLC/4AFQ-FLC_decoy_scores.csv |
4AJJ-88S | data/4A/4AJJ-88S/4AJJ-88S_ligand.pdbqt | data/4A/4AJJ-88S/4AJJ-88S_target.pdbqt | data/4A/4AJJ-88S/4AJJ-88S_decoys.pdbqt | data/4A/4AJJ-88S/4AJJ-88S_decoy_scores.csv |
4A2R-3NK | data/4A/4A2R-3NK/4A2R-3NK_ligand.pdbqt | data/4A/4A2R-3NK/4A2R-3NK_target.pdbqt | data/4A/4A2R-3NK/4A2R-3NK_decoys.pdbqt | data/4A/4A2R-3NK/4A2R-3NK_decoy_scores.csv |
4A85-H35 | data/4A/4A85-H35/4A85-H35_ligand.pdbqt | data/4A/4A85-H35/4A85-H35_target.pdbqt | data/4A/4A85-H35/4A85-H35_decoys.pdbqt | data/4A/4A85-H35/4A85-H35_decoy_scores.csv |
4AKJ-16E | data/4A/4AKJ-16E/4AKJ-16E_ligand.pdbqt | data/4A/4AKJ-16E/4AKJ-16E_target.pdbqt | data/4A/4AKJ-16E/4AKJ-16E_decoys.pdbqt | data/4A/4AKJ-16E/4AKJ-16E_decoy_scores.csv |
4ASD-BAX | data/4A/4ASD-BAX/4ASD-BAX_ligand.pdbqt | data/4A/4ASD-BAX/4ASD-BAX_target.pdbqt | data/4A/4ASD-BAX/4ASD-BAX_decoys.pdbqt | data/4A/4ASD-BAX/4ASD-BAX_decoy_scores.csv |
4AJS-A2P | data/4A/4AJS-A2P/4AJS-A2P_ligand.pdbqt | data/4A/4AJS-A2P/4AJS-A2P_target.pdbqt | data/4A/4AJS-A2P/4AJS-A2P_decoys.pdbqt | data/4A/4AJS-A2P/4AJS-A2P_decoy_scores.csv |
4ABA-SW1 | data/4A/4ABA-SW1/4ABA-SW1_ligand.pdbqt | data/4A/4ABA-SW1/4ABA-SW1_target.pdbqt | data/4A/4ABA-SW1/4ABA-SW1_decoys.pdbqt | data/4A/4ABA-SW1/4ABA-SW1_decoy_scores.csv |
4A7B-3W5 | data/4A/4A7B-3W5/4A7B-3W5_ligand.pdbqt | data/4A/4A7B-3W5/4A7B-3W5_target.pdbqt | data/4A/4A7B-3W5/4A7B-3W5_decoys.pdbqt | data/4A/4A7B-3W5/4A7B-3W5_decoy_scores.csv |
4AF0-MOA | data/4A/4AF0-MOA/4AF0-MOA_ligand.pdbqt | data/4A/4AF0-MOA/4AF0-MOA_target.pdbqt | data/4A/4AF0-MOA/4AF0-MOA_decoys.pdbqt | data/4A/4AF0-MOA/4AF0-MOA_decoy_scores.csv |
4A06-A06 | data/4A/4A06-A06/4A06-A06_ligand.pdbqt | data/4A/4A06-A06/4A06-A06_target.pdbqt | data/4A/4A06-A06/4A06-A06_decoys.pdbqt | data/4A/4A06-A06/4A06-A06_decoy_scores.csv |
4AIA-ADK | data/4A/4AIA-ADK/4AIA-ADK_ligand.pdbqt | data/4A/4AIA-ADK/4AIA-ADK_target.pdbqt | data/4A/4AIA-ADK/4AIA-ADK_decoys.pdbqt | data/4A/4AIA-ADK/4AIA-ADK_decoy_scores.csv |
4AW1-21O | data/4A/4AW1-21O/4AW1-21O_ligand.pdbqt | data/4A/4AW1-21O/4AW1-21O_target.pdbqt | data/4A/4AW1-21O/4AW1-21O_decoys.pdbqt | data/4A/4AW1-21O/4AW1-21O_decoy_scores.csv |
4AFK-PE5 | data/4A/4AFK-PE5/4AFK-PE5_ligand.pdbqt | data/4A/4AFK-PE5/4AFK-PE5_target.pdbqt | data/4A/4AFK-PE5/4AFK-PE5_decoys.pdbqt | data/4A/4AFK-PE5/4AFK-PE5_decoy_scores.csv |
4AQK-IHP | data/4A/4AQK-IHP/4AQK-IHP_ligand.pdbqt | data/4A/4AQK-IHP/4AQK-IHP_target.pdbqt | data/4A/4AQK-IHP/4AQK-IHP_decoys.pdbqt | data/4A/4AQK-IHP/4AQK-IHP_decoy_scores.csv |
4AIG-FLX | data/4A/4AIG-FLX/4AIG-FLX_ligand.pdbqt | data/4A/4AIG-FLX/4AIG-FLX_target.pdbqt | data/4A/4AIG-FLX/4AIG-FLX_decoys.pdbqt | data/4A/4AIG-FLX/4AIG-FLX_decoy_scores.csv |
4AQ4-G3P | data/4A/4AQ4-G3P/4AQ4-G3P_ligand.pdbqt | data/4A/4AQ4-G3P/4AQ4-G3P_target.pdbqt | data/4A/4AQ4-G3P/4AQ4-G3P_decoys.pdbqt | data/4A/4AQ4-G3P/4AQ4-G3P_decoy_scores.csv |
4ALI-TCL | data/4A/4ALI-TCL/4ALI-TCL_ligand.pdbqt | data/4A/4ALI-TCL/4ALI-TCL_target.pdbqt | data/4A/4ALI-TCL/4ALI-TCL_decoys.pdbqt | data/4A/4ALI-TCL/4ALI-TCL_decoy_scores.csv |
4AAX-NGA | data/4A/4AAX-NGA/4AAX-NGA_ligand.pdbqt | data/4A/4AAX-NGA/4AAX-NGA_target.pdbqt | data/4A/4AAX-NGA/4AAX-NGA_decoys.pdbqt | data/4A/4AAX-NGA/4AAX-NGA_decoy_scores.csv |
4AGC-AXI | data/4A/4AGC-AXI/4AGC-AXI_ligand.pdbqt | data/4A/4AGC-AXI/4AGC-AXI_target.pdbqt | data/4A/4AGC-AXI/4AGC-AXI_decoys.pdbqt | data/4A/4AGC-AXI/4AGC-AXI_decoy_scores.csv |
4AW2-22E | data/4A/4AW2-22E/4AW2-22E_ligand.pdbqt | data/4A/4AW2-22E/4AW2-22E_target.pdbqt | data/4A/4AW2-22E/4AW2-22E_decoys.pdbqt | data/4A/4AW2-22E/4AW2-22E_decoy_scores.csv |
4AJH-2B4 | data/4A/4AJH-2B4/4AJH-2B4_ligand.pdbqt | data/4A/4AJH-2B4/4AJH-2B4_target.pdbqt | data/4A/4AJH-2B4/4AJH-2B4_decoys.pdbqt | data/4A/4AJH-2B4/4AJH-2B4_decoy_scores.csv |
4ARW-HNR | data/4A/4ARW-HNR/4ARW-HNR_ligand.pdbqt | data/4A/4ARW-HNR/4ARW-HNR_target.pdbqt | data/4A/4ARW-HNR/4ARW-HNR_decoys.pdbqt | data/4A/4ARW-HNR/4ARW-HNR_decoy_scores.csv |
4AIP-GLU | data/4A/4AIP-GLU/4AIP-GLU_ligand.pdbqt | data/4A/4AIP-GLU/4AIP-GLU_target.pdbqt | data/4A/4AIP-GLU/4AIP-GLU_decoys.pdbqt | data/4A/4AIP-GLU/4AIP-GLU_decoy_scores.csv |
4AIP-N8E | data/4A/4AIP-N8E/4AIP-N8E_ligand.pdbqt | data/4A/4AIP-N8E/4AIP-N8E_target.pdbqt | data/4A/4AIP-N8E/4AIP-N8E_decoys.pdbqt | data/4A/4AIP-N8E/4AIP-N8E_decoy_scores.csv |
4AKB-P6G | data/4A/4AKB-P6G/4AKB-P6G_ligand.pdbqt | data/4A/4AKB-P6G/4AKB-P6G_target.pdbqt | data/4A/4AKB-P6G/4AKB-P6G_decoys.pdbqt | data/4A/4AKB-P6G/4AKB-P6G_decoy_scores.csv |
4AEL-4HN | data/4A/4AEL-4HN/4AEL-4HN_ligand.pdbqt | data/4A/4AEL-4HN/4AEL-4HN_target.pdbqt | data/4A/4AEL-4HN/4AEL-4HN_decoys.pdbqt | data/4A/4AEL-4HN/4AEL-4HN_decoy_scores.csv |
4ALH-A9P | data/4A/4ALH-A9P/4ALH-A9P_ligand.pdbqt | data/4A/4ALH-A9P/4ALH-A9P_target.pdbqt | data/4A/4ALH-A9P/4ALH-A9P_decoys.pdbqt | data/4A/4ALH-A9P/4ALH-A9P_decoy_scores.csv |
4A9N-A9N | data/4A/4A9N-A9N/4A9N-A9N_ligand.pdbqt | data/4A/4A9N-A9N/4A9N-A9N_target.pdbqt | data/4A/4A9N-A9N/4A9N-A9N_decoys.pdbqt | data/4A/4A9N-A9N/4A9N-A9N_decoy_scores.csv |
4A87-NAR | data/4A/4A87-NAR/4A87-NAR_ligand.pdbqt | data/4A/4A87-NAR/4A87-NAR_target.pdbqt | data/4A/4A87-NAR/4A87-NAR_decoys.pdbqt | data/4A/4A87-NAR/4A87-NAR_decoy_scores.csv |
4AJI-88R | data/4A/4AJI-88R/4AJI-88R_ligand.pdbqt | data/4A/4AJI-88R/4AJI-88R_target.pdbqt | data/4A/4AJI-88R/4AJI-88R_decoys.pdbqt | data/4A/4AJI-88R/4AJI-88R_decoy_scores.csv |
4ALJ-GLU | data/4A/4ALJ-GLU/4ALJ-GLU_ligand.pdbqt | data/4A/4ALJ-GLU/4ALJ-GLU_target.pdbqt | data/4A/4ALJ-GLU/4ALJ-GLU_decoys.pdbqt | data/4A/4ALJ-GLU/4ALJ-GLU_decoy_scores.csv |
4AU7-SAH | data/4A/4AU7-SAH/4AU7-SAH_ligand.pdbqt | data/4A/4AU7-SAH/4AU7-SAH_target.pdbqt | data/4A/4AU7-SAH/4AU7-SAH_decoys.pdbqt | data/4A/4AU7-SAH/4AU7-SAH_decoy_scores.csv |
4AO4-PLK | data/4A/4AO4-PLK/4AO4-PLK_ligand.pdbqt | data/4A/4AO4-PLK/4AO4-PLK_target.pdbqt | data/4A/4AO4-PLK/4AO4-PLK_decoys.pdbqt | data/4A/4AO4-PLK/4AO4-PLK_decoy_scores.csv |
4A23-C56 | data/4A/4A23-C56/4A23-C56_ligand.pdbqt | data/4A/4A23-C56/4A23-C56_target.pdbqt | data/4A/4A23-C56/4A23-C56_decoys.pdbqt | data/4A/4A23-C56/4A23-C56_decoy_scores.csv |
4ALW-HY7 | data/4A/4ALW-HY7/4ALW-HY7_ligand.pdbqt | data/4A/4ALW-HY7/4ALW-HY7_target.pdbqt | data/4A/4ALW-HY7/4ALW-HY7_decoys.pdbqt | data/4A/4ALW-HY7/4ALW-HY7_decoy_scores.csv |
4A8T-PAO | data/4A/4A8T-PAO/4A8T-PAO_ligand.pdbqt | data/4A/4A8T-PAO/4A8T-PAO_target.pdbqt | data/4A/4A8T-PAO/4A8T-PAO_decoys.pdbqt | data/4A/4A8T-PAO/4A8T-PAO_decoy_scores.csv |
4AZC-NGW | data/4A/4AZC-NGW/4AZC-NGW_ligand.pdbqt | data/4A/4AZC-NGW/4AZC-NGW_target.pdbqt | data/4A/4AZC-NGW/4AZC-NGW_decoys.pdbqt | data/4A/4AZC-NGW/4AZC-NGW_decoy_scores.csv |
4A2B-AGS | data/4A/4A2B-AGS/4A2B-AGS_ligand.pdbqt | data/4A/4A2B-AGS/4A2B-AGS_target.pdbqt | data/4A/4A2B-AGS/4A2B-AGS_decoys.pdbqt | data/4A/4A2B-AGS/4A2B-AGS_decoy_scores.csv |
4AEO-TNL | data/4A/4AEO-TNL/4AEO-TNL_ligand.pdbqt | data/4A/4AEO-TNL/4AEO-TNL_target.pdbqt | data/4A/4AEO-TNL/4AEO-TNL_decoys.pdbqt | data/4A/4AEO-TNL/4AEO-TNL_decoy_scores.csv |
4AI8-DZA | data/4A/4AI8-DZA/4AI8-DZA_ligand.pdbqt | data/4A/4AI8-DZA/4AI8-DZA_target.pdbqt | data/4A/4AI8-DZA/4AI8-DZA_decoys.pdbqt | data/4A/4AI8-DZA/4AI8-DZA_decoy_scores.csv |
4AZT-SAM | data/4A/4AZT-SAM/4AZT-SAM_ligand.pdbqt | data/4A/4AZT-SAM/4AZT-SAM_target.pdbqt | data/4A/4AZT-SAM/4AZT-SAM_decoys.pdbqt | data/4A/4AZT-SAM/4AZT-SAM_decoy_scores.csv |
4AWS-FMN | data/4A/4AWS-FMN/4AWS-FMN_ligand.pdbqt | data/4A/4AWS-FMN/4AWS-FMN_target.pdbqt | data/4A/4AWS-FMN/4AWS-FMN_decoys.pdbqt | data/4A/4AWS-FMN/4AWS-FMN_decoy_scores.csv |
4A61-ANP | data/4A/4A61-ANP/4A61-ANP_ligand.pdbqt | data/4A/4A61-ANP/4A61-ANP_target.pdbqt | data/4A/4A61-ANP/4A61-ANP_decoys.pdbqt | data/4A/4A61-ANP/4A61-ANP_decoy_scores.csv |
4A2A-ATP | data/4A/4A2A-ATP/4A2A-ATP_ligand.pdbqt | data/4A/4A2A-ATP/4A2A-ATP_target.pdbqt | data/4A/4A2A-ATP/4A2A-ATP_decoys.pdbqt | data/4A/4A2A-ATP/4A2A-ATP_decoy_scores.csv |
4A0M-NAD | data/4A/4A0M-NAD/4A0M-NAD_ligand.pdbqt | data/4A/4A0M-NAD/4A0M-NAD_target.pdbqt | data/4A/4A0M-NAD/4A0M-NAD_decoys.pdbqt | data/4A/4A0M-NAD/4A0M-NAD_decoy_scores.csv |
4AUX-XTC | data/4A/4AUX-XTC/4AUX-XTC_ligand.pdbqt | data/4A/4AUX-XTC/4AUX-XTC_target.pdbqt | data/4A/4AUX-XTC/4AUX-XTC_decoys.pdbqt | data/4A/4AUX-XTC/4AUX-XTC_decoy_scores.csv |
4AZ6-OAN | data/4A/4AZ6-OAN/4AZ6-OAN_ligand.pdbqt | data/4A/4AZ6-OAN/4AZ6-OAN_target.pdbqt | data/4A/4AZ6-OAN/4AZ6-OAN_decoys.pdbqt | data/4A/4AZ6-OAN/4AZ6-OAN_decoy_scores.csv |
4ABH-7Z3 | data/4A/4ABH-7Z3/4ABH-7Z3_ligand.pdbqt | data/4A/4ABH-7Z3/4ABH-7Z3_target.pdbqt | data/4A/4ABH-7Z3/4ABH-7Z3_decoys.pdbqt | data/4A/4ABH-7Z3/4ABH-7Z3_decoy_scores.csv |
4AZT-LY2 | data/4A/4AZT-LY2/4AZT-LY2_ligand.pdbqt | data/4A/4AZT-LY2/4AZT-LY2_target.pdbqt | data/4A/4AZT-LY2/4AZT-LY2_decoys.pdbqt | data/4A/4AZT-LY2/4AZT-LY2_decoy_scores.csv |
4A23-PE4 | data/4A/4A23-PE4/4A23-PE4_ligand.pdbqt | data/4A/4A23-PE4/4A23-PE4_target.pdbqt | data/4A/4A23-PE4/4A23-PE4_decoys.pdbqt | data/4A/4A23-PE4/4A23-PE4_decoy_scores.csv |
4AMJ-2CV | data/4A/4AMJ-2CV/4AMJ-2CV_ligand.pdbqt | data/4A/4AMJ-2CV/4AMJ-2CV_target.pdbqt | data/4A/4AMJ-2CV/4AMJ-2CV_decoys.pdbqt | data/4A/4AMJ-2CV/4AMJ-2CV_decoy_scores.csv |
4AS2-BTB | data/4A/4AS2-BTB/4AS2-BTB_ligand.pdbqt | data/4A/4AS2-BTB/4AS2-BTB_target.pdbqt | data/4A/4AS2-BTB/4AS2-BTB_decoys.pdbqt | data/4A/4AS2-BTB/4AS2-BTB_decoy_scores.csv |
4APZ-DUR | data/4A/4APZ-DUR/4APZ-DUR_ligand.pdbqt | data/4A/4APZ-DUR/4APZ-DUR_target.pdbqt | data/4A/4APZ-DUR/4APZ-DUR_decoys.pdbqt | data/4A/4APZ-DUR/4APZ-DUR_decoy_scores.csv |
4AQ2-B3P | data/4A/4AQ2-B3P/4AQ2-B3P_ligand.pdbqt | data/4A/4AQ2-B3P/4AQ2-B3P_target.pdbqt | data/4A/4AQ2-B3P/4AQ2-B3P_decoys.pdbqt | data/4A/4AQ2-B3P/4AQ2-B3P_decoy_scores.csv |
4AG9-16G | data/4A/4AG9-16G/4AG9-16G_ligand.pdbqt | data/4A/4AG9-16G/4AG9-16G_target.pdbqt | data/4A/4AG9-16G/4AG9-16G_decoys.pdbqt | data/4A/4AG9-16G/4AG9-16G_decoy_scores.csv |
4AYR-PE4 | data/4A/4AYR-PE4/4AYR-PE4_ligand.pdbqt | data/4A/4AYR-PE4/4AYR-PE4_target.pdbqt | data/4A/4AYR-PE4/4AYR-PE4_decoys.pdbqt | data/4A/4AYR-PE4/4AYR-PE4_decoy_scores.csv |
4AFK-FLC | data/4A/4AFK-FLC/4AFK-FLC_ligand.pdbqt | data/4A/4AFK-FLC/4AFK-FLC_target.pdbqt | data/4A/4AFK-FLC/4AFK-FLC_decoys.pdbqt | data/4A/4AFK-FLC/4AFK-FLC_decoy_scores.csv |
4AMX-AFR | data/4A/4AMX-AFR/4AMX-AFR_ligand.pdbqt | data/4A/4AMX-AFR/4AMX-AFR_target.pdbqt | data/4A/4AMX-AFR/4AMX-AFR_decoys.pdbqt | data/4A/4AMX-AFR/4AMX-AFR_decoy_scores.csv |
4A7G-12I | data/4A/4A7G-12I/4A7G-12I_ligand.pdbqt | data/4A/4A7G-12I/4A7G-12I_target.pdbqt | data/4A/4A7G-12I/4A7G-12I_decoys.pdbqt | data/4A/4A7G-12I/4A7G-12I_decoy_scores.csv |
4AZI-BCN | data/4A/4AZI-BCN/4AZI-BCN_ligand.pdbqt | data/4A/4AZI-BCN/4AZI-BCN_target.pdbqt | data/4A/4AZI-BCN/4AZI-BCN_decoys.pdbqt | data/4A/4AZI-BCN/4AZI-BCN_decoy_scores.csv |
4A1F-FLC | data/4A/4A1F-FLC/4A1F-FLC_ligand.pdbqt | data/4A/4A1F-FLC/4A1F-FLC_target.pdbqt | data/4A/4A1F-FLC/4A1F-FLC_decoys.pdbqt | data/4A/4A1F-FLC/4A1F-FLC_decoy_scores.csv |
4AHU-ICO | data/4A/4AHU-ICO/4AHU-ICO_ligand.pdbqt | data/4A/4AHU-ICO/4AHU-ICO_target.pdbqt | data/4A/4AHU-ICO/4AHU-ICO_decoys.pdbqt | data/4A/4AHU-ICO/4AHU-ICO_decoy_scores.csv |
4AG8-AXI | data/4A/4AG8-AXI/4AG8-AXI_ligand.pdbqt | data/4A/4AG8-AXI/4AG8-AXI_target.pdbqt | data/4A/4AG8-AXI/4AG8-AXI_decoys.pdbqt | data/4A/4AG8-AXI/4AG8-AXI_decoy_scores.csv |
4A6S-GS9 | data/4A/4A6S-GS9/4A6S-GS9_ligand.pdbqt | data/4A/4A6S-GS9/4A6S-GS9_target.pdbqt | data/4A/4A6S-GS9/4A6S-GS9_decoys.pdbqt | data/4A/4A6S-GS9/4A6S-GS9_decoy_scores.csv |
4A6H-I4D | data/4A/4A6H-I4D/4A6H-I4D_ligand.pdbqt | data/4A/4A6H-I4D/4A6H-I4D_target.pdbqt | data/4A/4A6H-I4D/4A6H-I4D_decoys.pdbqt | data/4A/4A6H-I4D/4A6H-I4D_decoy_scores.csv |
4AJA-ICT | data/4A/4AJA-ICT/4AJA-ICT_ligand.pdbqt | data/4A/4AJA-ICT/4AJA-ICT_target.pdbqt | data/4A/4AJA-ICT/4AJA-ICT_decoys.pdbqt | data/4A/4AJA-ICT/4AJA-ICT_decoy_scores.csv |
4AC3-R83 | data/4A/4AC3-R83/4AC3-R83_ligand.pdbqt | data/4A/4AC3-R83/4AC3-R83_target.pdbqt | data/4A/4AC3-R83/4AC3-R83_decoys.pdbqt | data/4A/4AC3-R83/4AC3-R83_decoy_scores.csv |
4AC2-43F | data/4A/4AC2-43F/4AC2-43F_ligand.pdbqt | data/4A/4AC2-43F/4AC2-43F_target.pdbqt | data/4A/4AC2-43F/4AC2-43F_decoys.pdbqt | data/4A/4AC2-43F/4AC2-43F_decoy_scores.csv |
4A9I-P9I | data/4A/4A9I-P9I/4A9I-P9I_ligand.pdbqt | data/4A/4A9I-P9I/4A9I-P9I_target.pdbqt | data/4A/4A9I-P9I/4A9I-P9I_decoys.pdbqt | data/4A/4A9I-P9I/4A9I-P9I_decoy_scores.csv |
4AQH-TB7 | data/4A/4AQH-TB7/4AQH-TB7_ligand.pdbqt | data/4A/4AQH-TB7/4AQH-TB7_target.pdbqt | data/4A/4AQH-TB7/4AQH-TB7_decoys.pdbqt | data/4A/4AQH-TB7/4AQH-TB7_decoy_scores.csv |
4A5Y-G7X | data/4A/4A5Y-G7X/4A5Y-G7X_ligand.pdbqt | data/4A/4A5Y-G7X/4A5Y-G7X_target.pdbqt | data/4A/4A5Y-G7X/4A5Y-G7X_decoys.pdbqt | data/4A/4A5Y-G7X/4A5Y-G7X_decoy_scores.csv |
4AZ5-NGW | data/4A/4AZ5-NGW/4AZ5-NGW_ligand.pdbqt | data/4A/4AZ5-NGW/4AZ5-NGW_target.pdbqt | data/4A/4AZ5-NGW/4AZ5-NGW_decoys.pdbqt | data/4A/4AZ5-NGW/4AZ5-NGW_decoy_scores.csv |
4A7Q-4MQ | data/4A/4A7Q-4MQ/4A7Q-4MQ_ligand.pdbqt | data/4A/4A7Q-4MQ/4A7Q-4MQ_target.pdbqt | data/4A/4A7Q-4MQ/4A7Q-4MQ_decoys.pdbqt | data/4A/4A7Q-4MQ/4A7Q-4MQ_decoy_scores.csv |
4AGL-P84 | data/4A/4AGL-P84/4AGL-P84_ligand.pdbqt | data/4A/4AGL-P84/4AGL-P84_target.pdbqt | data/4A/4AGL-P84/4AGL-P84_decoys.pdbqt | data/4A/4AGL-P84/4AGL-P84_decoy_scores.csv |
4A38-BZS | data/4A/4A38-BZS/4A38-BZS_ligand.pdbqt | data/4A/4A38-BZS/4A38-BZS_target.pdbqt | data/4A/4A38-BZS/4A38-BZS_decoys.pdbqt | data/4A/4A38-BZS/4A38-BZS_decoy_scores.csv |
4AD0-B3P | data/4A/4AD0-B3P/4AD0-B3P_ligand.pdbqt | data/4A/4AD0-B3P/4AD0-B3P_target.pdbqt | data/4A/4AD0-B3P/4AD0-B3P_decoys.pdbqt | data/4A/4AD0-B3P/4AD0-B3P_decoy_scores.csv |
4ACM-7YG | data/4A/4ACM-7YG/4ACM-7YG_ligand.pdbqt | data/4A/4ACM-7YG/4ACM-7YG_target.pdbqt | data/4A/4ACM-7YG/4ACM-7YG_decoys.pdbqt | data/4A/4ACM-7YG/4ACM-7YG_decoy_scores.csv |
4AQK-ADP | data/4A/4AQK-ADP/4AQK-ADP_ligand.pdbqt | data/4A/4AQK-ADP/4AQK-ADP_target.pdbqt | data/4A/4AQK-ADP/4AQK-ADP_decoys.pdbqt | data/4A/4AQK-ADP/4AQK-ADP_decoy_scores.csv |
4AD2-IFM | data/4A/4AD2-IFM/4AD2-IFM_ligand.pdbqt | data/4A/4AD2-IFM/4AD2-IFM_target.pdbqt | data/4A/4AD2-IFM/4AD2-IFM_decoys.pdbqt | data/4A/4AD2-IFM/4AD2-IFM_decoy_scores.csv |
4A7I-A7I | data/4A/4A7I-A7I/4A7I-A7I_ligand.pdbqt | data/4A/4A7I-A7I/4A7I-A7I_target.pdbqt | data/4A/4A7I-A7I/4A7I-A7I_decoys.pdbqt | data/4A/4A7I-A7I/4A7I-A7I_decoy_scores.csv |
4AIZ-88Q | data/4A/4AIZ-88Q/4AIZ-88Q_ligand.pdbqt | data/4A/4AIZ-88Q/4AIZ-88Q_target.pdbqt | data/4A/4AIZ-88Q/4AIZ-88Q_decoys.pdbqt | data/4A/4AIZ-88Q/4AIZ-88Q_decoy_scores.csv |
4AW8-PG6 | data/4A/4AW8-PG6/4AW8-PG6_ligand.pdbqt | data/4A/4AW8-PG6/4AW8-PG6_target.pdbqt | data/4A/4AW8-PG6/4AW8-PG6_decoys.pdbqt | data/4A/4AW8-PG6/4AW8-PG6_decoy_scores.csv |
4AJF-F03 | data/4A/4AJF-F03/4AJF-F03_ligand.pdbqt | data/4A/4AJF-F03/4AJF-F03_target.pdbqt | data/4A/4AJF-F03/4AJF-F03_decoys.pdbqt | data/4A/4AJF-F03/4AJF-F03_decoy_scores.csv |
4AVU-LDR | data/4A/4AVU-LDR/4AVU-LDR_ligand.pdbqt | data/4A/4AVU-LDR/4AVU-LDR_target.pdbqt | data/4A/4AVU-LDR/4AVU-LDR_decoys.pdbqt | data/4A/4AVU-LDR/4AVU-LDR_decoy_scores.csv |
4A9E-3PF | data/4A/4A9E-3PF/4A9E-3PF_ligand.pdbqt | data/4A/4A9E-3PF/4A9E-3PF_target.pdbqt | data/4A/4A9E-3PF/4A9E-3PF_decoys.pdbqt | data/4A/4A9E-3PF/4A9E-3PF_decoy_scores.csv |
4AXD-ANP | data/4A/4AXD-ANP/4AXD-ANP_ligand.pdbqt | data/4A/4AXD-ANP/4AXD-ANP_target.pdbqt | data/4A/4AXD-ANP/4AXD-ANP_decoys.pdbqt | data/4A/4AXD-ANP/4AXD-ANP_decoy_scores.csv |
4AWS-PE4 | data/4A/4AWS-PE4/4AWS-PE4_ligand.pdbqt | data/4A/4AWS-PE4/4AWS-PE4_target.pdbqt | data/4A/4AWS-PE4/4AWS-PE4_decoys.pdbqt | data/4A/4AWS-PE4/4AWS-PE4_decoy_scores.csv |
4A9K-TYL | data/4A/4A9K-TYL/4A9K-TYL_ligand.pdbqt | data/4A/4A9K-TYL/4A9K-TYL_target.pdbqt | data/4A/4A9K-TYL/4A9K-TYL_decoys.pdbqt | data/4A/4A9K-TYL/4A9K-TYL_decoy_scores.csv |
4ASJ-N6A | data/4A/4ASJ-N6A/4ASJ-N6A_ligand.pdbqt | data/4A/4ASJ-N6A/4ASJ-N6A_target.pdbqt | data/4A/4ASJ-N6A/4ASJ-N6A_decoys.pdbqt | data/4A/4ASJ-N6A/4ASJ-N6A_decoy_scores.csv |
4A8V-2AN | data/4A/4A8V-2AN/4A8V-2AN_ligand.pdbqt | data/4A/4A8V-2AN/4A8V-2AN_target.pdbqt | data/4A/4A8V-2AN/4A8V-2AN_decoys.pdbqt | data/4A/4A8V-2AN/4A8V-2AN_decoy_scores.csv |
4AYO-BTB | data/4A/4AYO-BTB/4AYO-BTB_ligand.pdbqt | data/4A/4AYO-BTB/4AYO-BTB_target.pdbqt | data/4A/4AYO-BTB/4AYO-BTB_decoys.pdbqt | data/4A/4AYO-BTB/4AYO-BTB_decoy_scores.csv |
4AFK-78M | data/4A/4AFK-78M/4AFK-78M_ligand.pdbqt | data/4A/4AFK-78M/4AFK-78M_target.pdbqt | data/4A/4AFK-78M/4AFK-78M_decoys.pdbqt | data/4A/4AFK-78M/4AFK-78M_decoy_scores.csv |
4APP-N53 | data/4A/4APP-N53/4APP-N53_ligand.pdbqt | data/4A/4APP-N53/4APP-N53_target.pdbqt | data/4A/4APP-N53/4APP-N53_decoys.pdbqt | data/4A/4APP-N53/4APP-N53_decoy_scores.csv |
4AL1-PLM | data/4A/4AL1-PLM/4AL1-PLM_ligand.pdbqt | data/4A/4AL1-PLM/4AL1-PLM_target.pdbqt | data/4A/4AL1-PLM/4AL1-PLM_decoys.pdbqt | data/4A/4AL1-PLM/4AL1-PLM_decoy_scores.csv |
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