Datasets:
jiangteam
/
DecoyDB

Dataset card Data Studio Files
xet
Community
1
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
⌀
3WR4-GDE
data/3W/3WR4-GDE/3WR4-GDE_ligand.pdbqt
data/3W/3WR4-GDE/3WR4-GDE_target.pdbqt
data/3W/3WR4-GDE/3WR4-GDE_decoys.pdbqt
data/3W/3WR4-GDE/3WR4-GDE_decoy_scores.csv
3WH6-NHE
data/3W/3WH6-NHE/3WH6-NHE_ligand.pdbqt
data/3W/3WH6-NHE/3WH6-NHE_target.pdbqt
data/3W/3WH6-NHE/3WH6-NHE_decoys.pdbqt
data/3W/3WH6-NHE/3WH6-NHE_decoy_scores.csv
3W7R-W7A
data/3W/3W7R-W7A/3W7R-W7A_ligand.pdbqt
data/3W/3W7R-W7A/3W7R-W7A_target.pdbqt
data/3W/3W7R-W7A/3W7R-W7A_decoys.pdbqt
data/3W/3W7R-W7A/3W7R-W7A_decoy_scores.csv
3W76-FMN
data/3W/3W76-FMN/3W76-FMN_ligand.pdbqt
data/3W/3W76-FMN/3W76-FMN_target.pdbqt
data/3W/3W76-FMN/3W76-FMN_decoys.pdbqt
data/3W/3W76-FMN/3W76-FMN_decoy_scores.csv
3W0O-ADP
data/3W/3W0O-ADP/3W0O-ADP_ligand.pdbqt
data/3W/3W0O-ADP/3W0O-ADP_target.pdbqt
data/3W/3W0O-ADP/3W0O-ADP_decoys.pdbqt
data/3W/3W0O-ADP/3W0O-ADP_decoy_scores.csv
3W5E-NVW
data/3W/3W5E-NVW/3W5E-NVW_ligand.pdbqt
data/3W/3W5E-NVW/3W5E-NVW_target.pdbqt
data/3W/3W5E-NVW/3W5E-NVW_decoys.pdbqt
data/3W/3W5E-NVW/3W5E-NVW_decoy_scores.csv
3W0Q-HY0
data/3W/3W0Q-HY0/3W0Q-HY0_ligand.pdbqt
data/3W/3W0Q-HY0/3W0Q-HY0_target.pdbqt
data/3W/3W0Q-HY0/3W0Q-HY0_decoys.pdbqt
data/3W/3W0Q-HY0/3W0Q-HY0_decoy_scores.csv
3W2N-FMN
data/3W/3W2N-FMN/3W2N-FMN_ligand.pdbqt
data/3W/3W2N-FMN/3W2N-FMN_target.pdbqt
data/3W/3W2N-FMN/3W2N-FMN_decoys.pdbqt
data/3W/3W2N-FMN/3W2N-FMN_decoy_scores.csv
3W1M-RRO
data/3W/3W1M-RRO/3W1M-RRO_ligand.pdbqt
data/3W/3W1M-RRO/3W1M-RRO_target.pdbqt
data/3W/3W1M-RRO/3W1M-RRO_decoys.pdbqt
data/3W/3W1M-RRO/3W1M-RRO_decoy_scores.csv
3WEH-PS7
data/3W/3WEH-PS7/3WEH-PS7_ligand.pdbqt
data/3W/3WEH-PS7/3WEH-PS7_target.pdbqt
data/3W/3WEH-PS7/3WEH-PS7_decoys.pdbqt
data/3W/3WEH-PS7/3WEH-PS7_decoy_scores.csv
3W1X-XRO
data/3W/3W1X-XRO/3W1X-XRO_ligand.pdbqt
data/3W/3W1X-XRO/3W1X-XRO_target.pdbqt
data/3W/3W1X-XRO/3W1X-XRO_decoys.pdbqt
data/3W/3W1X-XRO/3W1X-XRO_decoy_scores.csv
3WIR-BGC
data/3W/3WIR-BGC/3WIR-BGC_ligand.pdbqt
data/3W/3WIR-BGC/3WIR-BGC_target.pdbqt
data/3W/3WIR-BGC/3WIR-BGC_decoys.pdbqt
data/3W/3WIR-BGC/3WIR-BGC_decoy_scores.csv
3WIK-LCT
data/3W/3WIK-LCT/3WIK-LCT_ligand.pdbqt
data/3W/3WIK-LCT/3WIK-LCT_target.pdbqt
data/3W/3WIK-LCT/3WIK-LCT_decoys.pdbqt
data/3W/3WIK-LCT/3WIK-LCT_decoy_scores.csv
3W2M-FMN
data/3W/3W2M-FMN/3W2M-FMN_ligand.pdbqt
data/3W/3W2M-FMN/3W2M-FMN_target.pdbqt
data/3W/3W2M-FMN/3W2M-FMN_decoys.pdbqt
data/3W/3W2M-FMN/3W2M-FMN_decoy_scores.csv
3WEF-FPS
data/3W/3WEF-FPS/3WEF-FPS_ligand.pdbqt
data/3W/3WEF-FPS/3WEF-FPS_target.pdbqt
data/3W/3WEF-FPS/3WEF-FPS_decoys.pdbqt
data/3W/3WEF-FPS/3WEF-FPS_decoy_scores.csv
3WB4-0B3
data/3W/3WB4-0B3/3WB4-0B3_ligand.pdbqt
data/3W/3WB4-0B3/3WB4-0B3_target.pdbqt
data/3W/3WB4-0B3/3WB4-0B3_decoys.pdbqt
data/3W/3WB4-0B3/3WB4-0B3_decoy_scores.csv
3WEZ-N8V
data/3W/3WEZ-N8V/3WEZ-N8V_ligand.pdbqt
data/3W/3WEZ-N8V/3WEZ-N8V_target.pdbqt
data/3W/3WEZ-N8V/3WEZ-N8V_decoys.pdbqt
data/3W/3WEZ-N8V/3WEZ-N8V_decoy_scores.csv
3WTL-N1Y
data/3W/3WTL-N1Y/3WTL-N1Y_ligand.pdbqt
data/3W/3WTL-N1Y/3WTL-N1Y_target.pdbqt
data/3W/3WTL-N1Y/3WTL-N1Y_decoys.pdbqt
data/3W/3WTL-N1Y/3WTL-N1Y_decoy_scores.csv
3WCA-FPS
data/3W/3WCA-FPS/3WCA-FPS_ligand.pdbqt
data/3W/3WCA-FPS/3WCA-FPS_target.pdbqt
data/3W/3WCA-FPS/3WCA-FPS_decoys.pdbqt
data/3W/3WCA-FPS/3WCA-FPS_decoy_scores.csv
3W0C-6DS
data/3W/3W0C-6DS/3W0C-6DS_ligand.pdbqt
data/3W/3W0C-6DS/3W0C-6DS_target.pdbqt
data/3W/3W0C-6DS/3W0C-6DS_decoys.pdbqt
data/3W/3W0C-6DS/3W0C-6DS_decoy_scores.csv
3W7U-GLA
data/3W/3W7U-GLA/3W7U-GLA_ligand.pdbqt
data/3W/3W7U-GLA/3W7U-GLA_target.pdbqt
data/3W/3W7U-GLA/3W7U-GLA_decoys.pdbqt
data/3W/3W7U-GLA/3W7U-GLA_decoy_scores.csv
3WF1-6GJ
data/3W/3WF1-6GJ/3WF1-6GJ_ligand.pdbqt
data/3W/3WF1-6GJ/3WF1-6GJ_target.pdbqt
data/3W/3WF1-6GJ/3WF1-6GJ_decoys.pdbqt
data/3W/3WF1-6GJ/3WF1-6GJ_decoy_scores.csv
3WHA-WHA
data/3W/3WHA-WHA/3WHA-WHA_ligand.pdbqt
data/3W/3WHA-WHA/3WHA-WHA_target.pdbqt
data/3W/3WHA-WHA/3WHA-WHA_decoys.pdbqt
data/3W/3WHA-WHA/3WHA-WHA_decoy_scores.csv
3W0A-DS5
data/3W/3W0A-DS5/3W0A-DS5_ligand.pdbqt
data/3W/3W0A-DS5/3W0A-DS5_target.pdbqt
data/3W/3W0A-DS5/3W0A-DS5_decoys.pdbqt
data/3W/3W0A-DS5/3W0A-DS5_decoy_scores.csv
3W8X-FTK
data/3W/3W8X-FTK/3W8X-FTK_ligand.pdbqt
data/3W/3W8X-FTK/3W8X-FTK_target.pdbqt
data/3W/3W8X-FTK/3W8X-FTK_decoys.pdbqt
data/3W/3W8X-FTK/3W8X-FTK_decoy_scores.csv
3W9Z-FMN
data/3W/3W9Z-FMN/3W9Z-FMN_ligand.pdbqt
data/3W/3W9Z-FMN/3W9Z-FMN_target.pdbqt
data/3W/3W9Z-FMN/3W9Z-FMN_decoys.pdbqt
data/3W/3W9Z-FMN/3W9Z-FMN_decoy_scores.csv
3WLO-BGC
data/3W/3WLO-BGC/3WLO-BGC_ligand.pdbqt
data/3W/3WLO-BGC/3WLO-BGC_target.pdbqt
data/3W/3WLO-BGC/3WLO-BGC_decoys.pdbqt
data/3W/3WLO-BGC/3WLO-BGC_decoy_scores.csv
3WCJ-E5S
data/3W/3WCJ-E5S/3WCJ-E5S_ligand.pdbqt
data/3W/3WCJ-E5S/3WCJ-E5S_target.pdbqt
data/3W/3WCJ-E5S/3WCJ-E5S_decoys.pdbqt
data/3W/3WCJ-E5S/3WCJ-E5S_decoy_scores.csv
3WW2-LPK
data/3W/3WW2-LPK/3WW2-LPK_ligand.pdbqt
data/3W/3WW2-LPK/3WW2-LPK_target.pdbqt
data/3W/3WW2-LPK/3WW2-LPK_decoys.pdbqt
data/3W/3WW2-LPK/3WW2-LPK_decoy_scores.csv
3W2W-ATP
data/3W/3W2W-ATP/3W2W-ATP_ligand.pdbqt
data/3W/3W2W-ATP/3W2W-ATP_target.pdbqt
data/3W/3W2W-ATP/3W2W-ATP_decoys.pdbqt
data/3W/3W2W-ATP/3W2W-ATP_decoy_scores.csv
3W07-U5P
data/3W/3W07-U5P/3W07-U5P_ligand.pdbqt
data/3W/3W07-U5P/3W07-U5P_target.pdbqt
data/3W/3W07-U5P/3W07-U5P_decoys.pdbqt
data/3W/3W07-U5P/3W07-U5P_decoy_scores.csv
3WSW-FBP
data/3W/3WSW-FBP/3WSW-FBP_ligand.pdbqt
data/3W/3WSW-FBP/3WSW-FBP_target.pdbqt
data/3W/3WSW-FBP/3WSW-FBP_decoys.pdbqt
data/3W/3WSW-FBP/3WSW-FBP_decoy_scores.csv
3WMG-DMU
data/3W/3WMG-DMU/3WMG-DMU_ligand.pdbqt
data/3W/3WMG-DMU/3WMG-DMU_target.pdbqt
data/3W/3WMG-DMU/3WMG-DMU_decoys.pdbqt
data/3W/3WMG-DMU/3WMG-DMU_decoy_scores.csv
3W7I-FMN
data/3W/3W7I-FMN/3W7I-FMN_ligand.pdbqt
data/3W/3W7I-FMN/3W7I-FMN_target.pdbqt
data/3W/3W7I-FMN/3W7I-FMN_decoys.pdbqt
data/3W/3W7I-FMN/3W7I-FMN_decoy_scores.csv
3WAT-BGC
data/3W/3WAT-BGC/3WAT-BGC_ligand.pdbqt
data/3W/3WAT-BGC/3WAT-BGC_target.pdbqt
data/3W/3WAT-BGC/3WAT-BGC_decoys.pdbqt
data/3W/3WAT-BGC/3WAT-BGC_decoy_scores.csv
3WCM-ER4
data/3W/3WCM-ER4/3WCM-ER4_ligand.pdbqt
data/3W/3WCM-ER4/3WCM-ER4_target.pdbqt
data/3W/3WCM-ER4/3WCM-ER4_decoys.pdbqt
data/3W/3WCM-ER4/3WCM-ER4_decoy_scores.csv
3W7Q-FMN
data/3W/3W7Q-FMN/3W7Q-FMN_ligand.pdbqt
data/3W/3W7Q-FMN/3W7Q-FMN_target.pdbqt
data/3W/3W7Q-FMN/3W7Q-FMN_decoys.pdbqt
data/3W/3W7Q-FMN/3W7Q-FMN_decoy_scores.csv
3W93-TYZ
data/3W/3W93-TYZ/3W93-TYZ_ligand.pdbqt
data/3W/3W93-TYZ/3W93-TYZ_target.pdbqt
data/3W/3W93-TYZ/3W93-TYZ_decoys.pdbqt
data/3W/3W93-TYZ/3W93-TYZ_decoy_scores.csv
3W92-TYZ
data/3W/3W92-TYZ/3W92-TYZ_ligand.pdbqt
data/3W/3W92-TYZ/3W92-TYZ_target.pdbqt
data/3W/3W92-TYZ/3W92-TYZ_decoys.pdbqt
data/3W/3W92-TYZ/3W92-TYZ_decoy_scores.csv
3W7A-RE8
data/3W/3W7A-RE8/3W7A-RE8_ligand.pdbqt
data/3W/3W7A-RE8/3W7A-RE8_target.pdbqt
data/3W/3W7A-RE8/3W7A-RE8_decoys.pdbqt
data/3W/3W7A-RE8/3W7A-RE8_decoy_scores.csv
3W22-FMN
data/3W/3W22-FMN/3W22-FMN_ligand.pdbqt
data/3W/3W22-FMN/3W22-FMN_target.pdbqt
data/3W/3W22-FMN/3W22-FMN_decoys.pdbqt
data/3W/3W22-FMN/3W22-FMN_decoy_scores.csv
3WRL-CAM
data/3W/3WRL-CAM/3WRL-CAM_ligand.pdbqt
data/3W/3WRL-CAM/3WRL-CAM_target.pdbqt
data/3W/3WRL-CAM/3WRL-CAM_decoys.pdbqt
data/3W/3WRL-CAM/3WRL-CAM_decoy_scores.csv
3W7L-FMN
data/3W/3W7L-FMN/3W7L-FMN_ligand.pdbqt
data/3W/3W7L-FMN/3W7L-FMN_target.pdbqt
data/3W/3W7L-FMN/3W7L-FMN_decoys.pdbqt
data/3W/3W7L-FMN/3W7L-FMN_decoy_scores.csv
3WBZ-ATP
data/3W/3WBZ-ATP/3WBZ-ATP_ligand.pdbqt
data/3W/3WBZ-ATP/3WBZ-ATP_target.pdbqt
data/3W/3WBZ-ATP/3WBZ-ATP_decoys.pdbqt
data/3W/3WBZ-ATP/3WBZ-ATP_decoy_scores.csv
3WCL-BH3
data/3W/3WCL-BH3/3WCL-BH3_ligand.pdbqt
data/3W/3WCL-BH3/3WCL-BH3_target.pdbqt
data/3W/3WCL-BH3/3WCL-BH3_decoys.pdbqt
data/3W/3WCL-BH3/3WCL-BH3_decoy_scores.csv
3WW2-SF6
data/3W/3WW2-SF6/3WW2-SF6_ligand.pdbqt
data/3W/3WW2-SF6/3WW2-SF6_target.pdbqt
data/3W/3WW2-SF6/3WW2-SF6_decoys.pdbqt
data/3W/3WW2-SF6/3WW2-SF6_decoy_scores.csv
3W79-ORI
data/3W/3W79-ORI/3W79-ORI_ligand.pdbqt
data/3W/3W79-ORI/3W79-ORI_target.pdbqt
data/3W/3W79-ORI/3W79-ORI_decoys.pdbqt
data/3W/3W79-ORI/3W79-ORI_decoy_scores.csv
3WLE-NAD
data/3W/3WLE-NAD/3WLE-NAD_ligand.pdbqt
data/3W/3WLE-NAD/3WLE-NAD_target.pdbqt
data/3W/3WLE-NAD/3WLE-NAD_decoys.pdbqt
data/3W/3WLE-NAD/3WLE-NAD_decoy_scores.csv
3WSW-NAD
data/3W/3WSW-NAD/3WSW-NAD_ligand.pdbqt
data/3W/3WSW-NAD/3WSW-NAD_target.pdbqt
data/3W/3WSW-NAD/3WSW-NAD_decoys.pdbqt
data/3W/3WSW-NAD/3WSW-NAD_decoy_scores.csv
3W0R-HY0
data/3W/3W0R-HY0/3W0R-HY0_ligand.pdbqt
data/3W/3W0R-HY0/3W0R-HY0_target.pdbqt
data/3W/3W0R-HY0/3W0R-HY0_decoys.pdbqt
data/3W/3W0R-HY0/3W0R-HY0_decoy_scores.csv
3W22-2RO
data/3W/3W22-2RO/3W22-2RO_ligand.pdbqt
data/3W/3W22-2RO/3W22-2RO_target.pdbqt
data/3W/3W22-2RO/3W22-2RO_decoys.pdbqt
data/3W/3W22-2RO/3W22-2RO_decoy_scores.csv
3WZQ-ZOF
data/3W/3WZQ-ZOF/3WZQ-ZOF_ligand.pdbqt
data/3W/3WZQ-ZOF/3WZQ-ZOF_target.pdbqt
data/3W/3WZQ-ZOF/3WZQ-ZOF_decoys.pdbqt
data/3W/3WZQ-ZOF/3WZQ-ZOF_decoy_scores.csv
3WVC-ZGP
data/3W/3WVC-ZGP/3WVC-ZGP_ligand.pdbqt
data/3W/3WVC-ZGP/3WVC-ZGP_target.pdbqt
data/3W/3WVC-ZGP/3WVC-ZGP_decoys.pdbqt
data/3W/3WVC-ZGP/3WVC-ZGP_decoy_scores.csv
3WZ8-IXV
data/3W/3WZ8-IXV/3WZ8-IXV_ligand.pdbqt
data/3W/3WZ8-IXV/3WZ8-IXV_target.pdbqt
data/3W/3WZ8-IXV/3WZ8-IXV_decoys.pdbqt
data/3W/3WZ8-IXV/3WZ8-IXV_decoy_scores.csv
3W4T-OLC
data/3W/3W4T-OLC/3W4T-OLC_ligand.pdbqt
data/3W/3W4T-OLC/3W4T-OLC_target.pdbqt
data/3W/3W4T-OLC/3W4T-OLC_decoys.pdbqt
data/3W/3W4T-OLC/3W4T-OLC_decoy_scores.csv
3WNZ-ADP
data/3W/3WNZ-ADP/3WNZ-ADP_ligand.pdbqt
data/3W/3WNZ-ADP/3WNZ-ADP_target.pdbqt
data/3W/3WNZ-ADP/3WNZ-ADP_decoys.pdbqt
data/3W/3WNZ-ADP/3WNZ-ADP_decoy_scores.csv
3WMC-NF6
data/3W/3WMC-NF6/3WMC-NF6_ligand.pdbqt
data/3W/3WMC-NF6/3WMC-NF6_target.pdbqt
data/3W/3WMC-NF6/3WMC-NF6_decoys.pdbqt
data/3W/3WMC-NF6/3WMC-NF6_decoy_scores.csv
3W88-FMN
data/3W/3W88-FMN/3W88-FMN_ligand.pdbqt
data/3W/3W88-FMN/3W88-FMN_target.pdbqt
data/3W/3W88-FMN/3W88-FMN_decoys.pdbqt
data/3W/3W88-FMN/3W88-FMN_decoy_scores.csv
3W7F-FPS
data/3W/3W7F-FPS/3W7F-FPS_ligand.pdbqt
data/3W/3W7F-FPS/3W7F-FPS_target.pdbqt
data/3W/3W7F-FPS/3W7F-FPS_decoys.pdbqt
data/3W/3W7F-FPS/3W7F-FPS_decoy_scores.csv
3W2C-N15
data/3W/3W2C-N15/3W2C-N15_ligand.pdbqt
data/3W/3W2C-N15/3W2C-N15_target.pdbqt
data/3W/3W2C-N15/3W2C-N15_decoys.pdbqt
data/3W/3W2C-N15/3W2C-N15_decoy_scores.csv
3WFE-10M
data/3W/3WFE-10M/3WFE-10M_ligand.pdbqt
data/3W/3WFE-10M/3WFE-10M_target.pdbqt
data/3W/3WFE-10M/3WFE-10M_decoys.pdbqt
data/3W/3WFE-10M/3WFE-10M_decoy_scores.csv
3WXC-C93
data/3W/3WXC-C93/3WXC-C93_ligand.pdbqt
data/3W/3WXC-C93/3WXC-C93_target.pdbqt
data/3W/3WXC-C93/3WXC-C93_decoys.pdbqt
data/3W/3WXC-C93/3WXC-C93_decoy_scores.csv
3WH8-NHE
data/3W/3WH8-NHE/3WH8-NHE_ligand.pdbqt
data/3W/3WH8-NHE/3WH8-NHE_target.pdbqt
data/3W/3WH8-NHE/3WH8-NHE_decoys.pdbqt
data/3W/3WH8-NHE/3WH8-NHE_decoy_scores.csv
3WF0-6DJ
data/3W/3WF0-6DJ/3WF0-6DJ_ligand.pdbqt
data/3W/3WF0-6DJ/3WF0-6DJ_target.pdbqt
data/3W/3WF0-6DJ/3WF0-6DJ_decoys.pdbqt
data/3W/3WF0-6DJ/3WF0-6DJ_decoy_scores.csv
3W73-W73
data/3W/3W73-W73/3W73-W73_ligand.pdbqt
data/3W/3W73-W73/3W73-W73_target.pdbqt
data/3W/3W73-W73/3W73-W73_decoys.pdbqt
data/3W/3W73-W73/3W73-W73_decoy_scores.csv
3W5J-GDP
data/3W/3W5J-GDP/3W5J-GDP_ligand.pdbqt
data/3W/3W5J-GDP/3W5J-GDP_target.pdbqt
data/3W/3W5J-GDP/3W5J-GDP_decoys.pdbqt
data/3W/3W5J-GDP/3W5J-GDP_decoy_scores.csv
3WNR-9BE
data/3W/3WNR-9BE/3WNR-9BE_ligand.pdbqt
data/3W/3WNR-9BE/3WNR-9BE_target.pdbqt
data/3W/3WNR-9BE/3WNR-9BE_decoys.pdbqt
data/3W/3WNR-9BE/3WNR-9BE_decoy_scores.csv
3WT7-YA2
data/3W/3WT7-YA2/3WT7-YA2_ligand.pdbqt
data/3W/3WT7-YA2/3WT7-YA2_target.pdbqt
data/3W/3WT7-YA2/3WT7-YA2_decoys.pdbqt
data/3W/3WT7-YA2/3WT7-YA2_decoy_scores.csv
3W54-RNB
data/3W/3W54-RNB/3W54-RNB_ligand.pdbqt
data/3W/3W54-RNB/3W54-RNB_target.pdbqt
data/3W/3W54-RNB/3W54-RNB_decoys.pdbqt
data/3W/3W54-RNB/3W54-RNB_decoy_scores.csv
3W8L-IHP
data/3W/3W8L-IHP/3W8L-IHP_ligand.pdbqt
data/3W/3W8L-IHP/3W8L-IHP_target.pdbqt
data/3W/3W8L-IHP/3W8L-IHP_decoys.pdbqt
data/3W/3W8L-IHP/3W8L-IHP_decoy_scores.csv
3W2L-FMN
data/3W/3W2L-FMN/3W2L-FMN_ligand.pdbqt
data/3W/3W2L-FMN/3W2L-FMN_target.pdbqt
data/3W/3W2L-FMN/3W2L-FMN_decoys.pdbqt
data/3W/3W2L-FMN/3W2L-FMN_decoy_scores.csv
3WB2-YGP
data/3W/3WB2-YGP/3WB2-YGP_ligand.pdbqt
data/3W/3WB2-YGP/3WB2-YGP_target.pdbqt
data/3W/3WB2-YGP/3WB2-YGP_decoys.pdbqt
data/3W/3WB2-YGP/3WB2-YGP_decoy_scores.csv
3W7N-W7N
data/3W/3W7N-W7N/3W7N-W7N_ligand.pdbqt
data/3W/3W7N-W7N/3W7N-W7N_target.pdbqt
data/3W/3W7N-W7N/3W7N-W7N_decoys.pdbqt
data/3W/3W7N-W7N/3W7N-W7N_decoy_scores.csv
3W2S-W2R
data/3W/3W2S-W2R/3W2S-W2R_ligand.pdbqt
data/3W/3W2S-W2R/3W2S-W2R_target.pdbqt
data/3W/3W2S-W2R/3W2S-W2R_decoys.pdbqt
data/3W/3W2S-W2R/3W2S-W2R_decoy_scores.csv
3W2Q-HKI
data/3W/3W2Q-HKI/3W2Q-HKI_ligand.pdbqt
data/3W/3W2Q-HKI/3W2Q-HKI_target.pdbqt
data/3W/3W2Q-HKI/3W2Q-HKI_decoys.pdbqt
data/3W/3W2Q-HKI/3W2Q-HKI_decoy_scores.csv
3W68-PBU
data/3W/3W68-PBU/3W68-PBU_ligand.pdbqt
data/3W/3W68-PBU/3W68-PBU_target.pdbqt
data/3W/3W68-PBU/3W68-PBU_decoys.pdbqt
data/3W/3W68-PBU/3W68-PBU_decoy_scores.csv
3WXM-GTP
data/3W/3WXM-GTP/3WXM-GTP_ligand.pdbqt
data/3W/3WXM-GTP/3WXM-GTP_target.pdbqt
data/3W/3WXM-GTP/3WXM-GTP_decoys.pdbqt
data/3W/3WXM-GTP/3WXM-GTP_decoy_scores.csv
3WQM-B29
data/3W/3WQM-B29/3WQM-B29_ligand.pdbqt
data/3W/3WQM-B29/3WQM-B29_target.pdbqt
data/3W/3WQM-B29/3WQM-B29_decoys.pdbqt
data/3W/3WQM-B29/3WQM-B29_decoy_scores.csv
3W23-FMN
data/3W/3W23-FMN/3W23-FMN_ligand.pdbqt
data/3W/3W23-FMN/3W23-FMN_target.pdbqt
data/3W/3W23-FMN/3W23-FMN_decoys.pdbqt
data/3W/3W23-FMN/3W23-FMN_decoy_scores.csv
3WDS-NAD
data/3W/3WDS-NAD/3WDS-NAD_ligand.pdbqt
data/3W/3WDS-NAD/3WDS-NAD_target.pdbqt
data/3W/3WDS-NAD/3WDS-NAD_decoys.pdbqt
data/3W/3WDS-NAD/3WDS-NAD_decoy_scores.csv
3W6G-FLC
data/3W/3W6G-FLC/3W6G-FLC_ligand.pdbqt
data/3W/3W6G-FLC/3W6G-FLC_target.pdbqt
data/3W/3W6G-FLC/3W6G-FLC_decoys.pdbqt
data/3W/3W6G-FLC/3W6G-FLC_decoy_scores.csv
3WV5-2AS
data/3W/3WV5-2AS/3WV5-2AS_ligand.pdbqt
data/3W/3WV5-2AS/3WV5-2AS_target.pdbqt
data/3W/3WV5-2AS/3WV5-2AS_decoys.pdbqt
data/3W/3WV5-2AS/3WV5-2AS_decoy_scores.csv
3W0R-ANP
data/3W/3W0R-ANP/3W0R-ANP_ligand.pdbqt
data/3W/3W0R-ANP/3W0R-ANP_target.pdbqt
data/3W/3W0R-ANP/3W0R-ANP_decoys.pdbqt
data/3W/3W0R-ANP/3W0R-ANP_decoy_scores.csv
3WO1-ADP
data/3W/3WO1-ADP/3WO1-ADP_ligand.pdbqt
data/3W/3WO1-ADP/3WO1-ADP_target.pdbqt
data/3W/3WO1-ADP/3WO1-ADP_decoys.pdbqt
data/3W/3WO1-ADP/3WO1-ADP_decoy_scores.csv
3W68-VIV
data/3W/3W68-VIV/3W68-VIV_ligand.pdbqt
data/3W/3W68-VIV/3W68-VIV_target.pdbqt
data/3W/3W68-VIV/3W68-VIV_decoys.pdbqt
data/3W/3W68-VIV/3W68-VIV_decoy_scores.csv
3W1U-LRO
data/3W/3W1U-LRO/3W1U-LRO_ligand.pdbqt
data/3W/3W1U-LRO/3W1U-LRO_target.pdbqt
data/3W/3W1U-LRO/3W1U-LRO_decoys.pdbqt
data/3W/3W1U-LRO/3W1U-LRO_decoy_scores.csv
3WJP-BEN
data/3W/3WJP-BEN/3WJP-BEN_ligand.pdbqt
data/3W/3WJP-BEN/3WJP-BEN_target.pdbqt
data/3W/3WJP-BEN/3WJP-BEN_decoys.pdbqt
data/3W/3WJP-BEN/3WJP-BEN_decoy_scores.csv
3WHM-O4B
data/3W/3WHM-O4B/3WHM-O4B_ligand.pdbqt
data/3W/3WHM-O4B/3WHM-O4B_target.pdbqt
data/3W/3WHM-O4B/3WHM-O4B_decoys.pdbqt
data/3W/3WHM-O4B/3WHM-O4B_decoy_scores.csv
3W71-W7A
data/3W/3W71-W7A/3W71-W7A_ligand.pdbqt
data/3W/3W71-W7A/3W71-W7A_target.pdbqt
data/3W/3W71-W7A/3W71-W7A_decoys.pdbqt
data/3W/3W71-W7A/3W71-W7A_decoy_scores.csv
3WF2-NDJ
data/3W/3WF2-NDJ/3WF2-NDJ_ligand.pdbqt
data/3W/3WF2-NDJ/3WF2-NDJ_target.pdbqt
data/3W/3WF2-NDJ/3WF2-NDJ_decoys.pdbqt
data/3W/3WF2-NDJ/3WF2-NDJ_decoy_scores.csv
3WY9-GDP
data/3W/3WY9-GDP/3WY9-GDP_ligand.pdbqt
data/3W/3WY9-GDP/3WY9-GDP_target.pdbqt
data/3W/3WY9-GDP/3WY9-GDP_decoys.pdbqt
data/3W/3WY9-GDP/3WY9-GDP_decoy_scores.csv
3W7G-FMN
data/3W/3W7G-FMN/3W7G-FMN_ligand.pdbqt
data/3W/3W7G-FMN/3W7G-FMN_target.pdbqt
data/3W/3W7G-FMN/3W7G-FMN_decoys.pdbqt
data/3W/3W7G-FMN/3W7G-FMN_decoy_scores.csv
3WQD-999
data/3W/3WQD-999/3WQD-999_ligand.pdbqt
data/3W/3WQD-999/3WQD-999_target.pdbqt
data/3W/3WQD-999/3WQD-999_decoys.pdbqt
data/3W/3WQD-999/3WQD-999_decoy_scores.csv
3W7E-FMN
data/3W/3W7E-FMN/3W7E-FMN_ligand.pdbqt
data/3W/3W7E-FMN/3W7E-FMN_target.pdbqt
data/3W/3W7E-FMN/3W7E-FMN_decoys.pdbqt
data/3W/3W7E-FMN/3W7E-FMN_decoy_scores.csv
3W7D-W7D
data/3W/3W7D-W7D/3W7D-W7D_ligand.pdbqt
data/3W/3W7D-W7D/3W7D-W7D_target.pdbqt
data/3W/3W7D-W7D/3W7D-W7D_decoys.pdbqt
data/3W/3W7D-W7D/3W7D-W7D_decoy_scores.csv
3WU2-LMT
data/3W/3WU2-LMT/3WU2-LMT_ligand.pdbqt
data/3W/3WU2-LMT/3WU2-LMT_target.pdbqt
data/3W/3WU2-LMT/3WU2-LMT_decoys.pdbqt
data/3W/3WU2-LMT/3WU2-LMT_decoy_scores.csv
3W2N-ROD
data/3W/3W2N-ROD/3W2N-ROD_ligand.pdbqt
data/3W/3W2N-ROD/3W2N-ROD_target.pdbqt
data/3W/3W2N-ROD/3W2N-ROD_decoys.pdbqt
data/3W/3W2N-ROD/3W2N-ROD_decoy_scores.csv
3WH7-FCB
data/3W/3WH7-FCB/3WH7-FCB_ligand.pdbqt
data/3W/3WH7-FCB/3WH7-FCB_target.pdbqt
data/3W/3WH7-FCB/3WH7-FCB_decoys.pdbqt
data/3W/3WH7-FCB/3WH7-FCB_decoy_scores.csv
3W8Q-AGS
data/3W/3W8Q-AGS/3W8Q-AGS_ligand.pdbqt
data/3W/3W8Q-AGS/3W8Q-AGS_target.pdbqt
data/3W/3W8Q-AGS/3W8Q-AGS_decoys.pdbqt
data/3W/3W8Q-AGS/3W8Q-AGS_decoy_scores.csv
3W74-W74
data/3W/3W74-W74/3W74-W74_ligand.pdbqt
data/3W/3W74-W74/3W74-W74_target.pdbqt
data/3W/3W74-W74/3W74-W74_decoys.pdbqt
data/3W/3W74-W74/3W74-W74_decoy_scores.csv