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
⌀
3WNC-GDP
data/3W/3WNC-GDP/3WNC-GDP_ligand.pdbqt
data/3W/3WNC-GDP/3WNC-GDP_target.pdbqt
data/3W/3WNC-GDP/3WNC-GDP_decoys.pdbqt
data/3W/3WNC-GDP/3WNC-GDP_decoy_scores.csv
3W7G-W7G
data/3W/3W7G-W7G/3W7G-W7G_ligand.pdbqt
data/3W/3W7G-W7G/3W7G-W7G_target.pdbqt
data/3W/3W7G-W7G/3W7G-W7G_decoys.pdbqt
data/3W/3W7G-W7G/3W7G-W7G_decoy_scores.csv
3W8N-C5P
data/3W/3W8N-C5P/3W8N-C5P_ligand.pdbqt
data/3W/3W8N-C5P/3W8N-C5P_target.pdbqt
data/3W/3W8N-C5P/3W8N-C5P_decoys.pdbqt
data/3W/3W8N-C5P/3W8N-C5P_decoy_scores.csv
3WV3-WLL
data/3W/3WV3-WLL/3WV3-WLL_ligand.pdbqt
data/3W/3WV3-WLL/3WV3-WLL_target.pdbqt
data/3W/3WV3-WLL/3WV3-WLL_decoys.pdbqt
data/3W/3WV3-WLL/3WV3-WLL_decoy_scores.csv
3WOL-TYR
data/3W/3WOL-TYR/3WOL-TYR_ligand.pdbqt
data/3W/3WOL-TYR/3WOL-TYR_target.pdbqt
data/3W/3WOL-TYR/3WOL-TYR_decoys.pdbqt
data/3W/3WOL-TYR/3WOL-TYR_decoy_scores.csv
3WF9-FS7
data/3W/3WF9-FS7/3WF9-FS7_ligand.pdbqt
data/3W/3WF9-FS7/3WF9-FS7_target.pdbqt
data/3W/3WF9-FS7/3WF9-FS7_decoys.pdbqt
data/3W/3WF9-FS7/3WF9-FS7_decoy_scores.csv
3WD9-QPC
data/3W/3WD9-QPC/3WD9-QPC_ligand.pdbqt
data/3W/3WD9-QPC/3WD9-QPC_target.pdbqt
data/3W/3WD9-QPC/3WD9-QPC_decoys.pdbqt
data/3W/3WD9-QPC/3WD9-QPC_decoy_scores.csv
3WGG-8NA
data/3W/3WGG-8NA/3WGG-8NA_ligand.pdbqt
data/3W/3WGG-8NA/3WGG-8NA_target.pdbqt
data/3W/3WGG-8NA/3WGG-8NA_decoys.pdbqt
data/3W/3WGG-8NA/3WGG-8NA_decoy_scores.csv
3WZN-BTN
data/3W/3WZN-BTN/3WZN-BTN_ligand.pdbqt
data/3W/3WZN-BTN/3WZN-BTN_target.pdbqt
data/3W/3WZN-BTN/3WZN-BTN_decoys.pdbqt
data/3W/3WZN-BTN/3WZN-BTN_decoy_scores.csv
3WVR-AMP
data/3W/3WVR-AMP/3WVR-AMP_ligand.pdbqt
data/3W/3WVR-AMP/3WVR-AMP_target.pdbqt
data/3W/3WVR-AMP/3WVR-AMP_decoys.pdbqt
data/3W/3WVR-AMP/3WVR-AMP_decoy_scores.csv
3W2R-W2R
data/3W/3W2R-W2R/3W2R-W2R_ligand.pdbqt
data/3W/3W2R-W2R/3W2R-W2R_target.pdbqt
data/3W/3W2R-W2R/3W2R-W2R_decoys.pdbqt
data/3W/3W2R-W2R/3W2R-W2R_decoy_scores.csv
3W1T-WRO
data/3W/3W1T-WRO/3W1T-WRO_ligand.pdbqt
data/3W/3W1T-WRO/3W1T-WRO_target.pdbqt
data/3W/3W1T-WRO/3W1T-WRO_decoys.pdbqt
data/3W/3W1T-WRO/3W1T-WRO_decoy_scores.csv
3WJY-NUP
data/3W/3WJY-NUP/3WJY-NUP_ligand.pdbqt
data/3W/3WJY-NUP/3WJY-NUP_target.pdbqt
data/3W/3WJY-NUP/3WJY-NUP_decoys.pdbqt
data/3W/3WJY-NUP/3WJY-NUP_decoy_scores.csv
3WIF-ON5
data/3W/3WIF-ON5/3WIF-ON5_ligand.pdbqt
data/3W/3WIF-ON5/3WIF-ON5_target.pdbqt
data/3W/3WIF-ON5/3WIF-ON5_decoys.pdbqt
data/3W/3WIF-ON5/3WIF-ON5_decoy_scores.csv
3WH5-NHE
data/3W/3WH5-NHE/3WH5-NHE_ligand.pdbqt
data/3W/3WH5-NHE/3WH5-NHE_target.pdbqt
data/3W/3WH5-NHE/3WH5-NHE_decoys.pdbqt
data/3W/3WH5-NHE/3WH5-NHE_decoy_scores.csv
3W1L-FMN
data/3W/3W1L-FMN/3W1L-FMN_ligand.pdbqt
data/3W/3W1L-FMN/3W1L-FMN_target.pdbqt
data/3W/3W1L-FMN/3W1L-FMN_decoys.pdbqt
data/3W/3W1L-FMN/3W1L-FMN_decoy_scores.csv
3W5N-RAM
data/3W/3W5N-RAM/3W5N-RAM_ligand.pdbqt
data/3W/3W5N-RAM/3W5N-RAM_target.pdbqt
data/3W/3W5N-RAM/3W5N-RAM_decoys.pdbqt
data/3W/3W5N-RAM/3W5N-RAM_decoy_scores.csv
3WD3-A1L
data/3W/3WD3-A1L/3WD3-A1L_ligand.pdbqt
data/3W/3WD3-A1L/3WD3-A1L_target.pdbqt
data/3W/3WD3-A1L/3WD3-A1L_decoys.pdbqt
data/3W/3WD3-A1L/3WD3-A1L_decoy_scores.csv
3WX9-3EE
data/3W/3WX9-3EE/3WX9-3EE_ligand.pdbqt
data/3W/3WX9-3EE/3WX9-3EE_target.pdbqt
data/3W/3WX9-3EE/3WX9-3EE_decoys.pdbqt
data/3W/3WX9-3EE/3WX9-3EE_decoy_scores.csv
3WHS-AVN
data/3W/3WHS-AVN/3WHS-AVN_ligand.pdbqt
data/3W/3WHS-AVN/3WHS-AVN_target.pdbqt
data/3W/3WHS-AVN/3WHS-AVN_decoys.pdbqt
data/3W/3WHS-AVN/3WHS-AVN_decoy_scores.csv
3WR2-3GP
data/3W/3WR2-3GP/3WR2-3GP_ligand.pdbqt
data/3W/3WR2-3GP/3WR2-3GP_target.pdbqt
data/3W/3WR2-3GP/3WR2-3GP_decoys.pdbqt
data/3W/3WR2-3GP/3WR2-3GP_decoy_scores.csv
3W2F-NAD
data/3W/3W2F-NAD/3W2F-NAD_ligand.pdbqt
data/3W/3W2F-NAD/3W2F-NAD_target.pdbqt
data/3W/3W2F-NAD/3W2F-NAD_decoys.pdbqt
data/3W/3W2F-NAD/3W2F-NAD_decoy_scores.csv
3W2L-VRO
data/3W/3W2L-VRO/3W2L-VRO_ligand.pdbqt
data/3W/3W2L-VRO/3W2L-VRO_target.pdbqt
data/3W/3W2L-VRO/3W2L-VRO_decoys.pdbqt
data/3W/3W2L-VRO/3W2L-VRO_decoy_scores.csv
3W2K-FMN
data/3W/3W2K-FMN/3W2K-FMN_ligand.pdbqt
data/3W/3W2K-FMN/3W2K-FMN_target.pdbqt
data/3W/3W2K-FMN/3W2K-FMN_decoys.pdbqt
data/3W/3W2K-FMN/3W2K-FMN_decoy_scores.csv
3WH0-O4B
data/3W/3WH0-O4B/3WH0-O4B_ligand.pdbqt
data/3W/3WH0-O4B/3WH0-O4B_target.pdbqt
data/3W/3WH0-O4B/3WH0-O4B_decoys.pdbqt
data/3W/3WH0-O4B/3WH0-O4B_decoy_scores.csv
3WJQ-BEN
data/3W/3WJQ-BEN/3WJQ-BEN_ligand.pdbqt
data/3W/3WJQ-BEN/3WJQ-BEN_target.pdbqt
data/3W/3WJQ-BEN/3WJQ-BEN_decoys.pdbqt
data/3W/3WJQ-BEN/3WJQ-BEN_decoy_scores.csv
3WEK-PS7
data/3W/3WEK-PS7/3WEK-PS7_ligand.pdbqt
data/3W/3WEK-PS7/3WEK-PS7_target.pdbqt
data/3W/3WEK-PS7/3WEK-PS7_decoys.pdbqt
data/3W/3WEK-PS7/3WEK-PS7_decoy_scores.csv
3WRH-CAM
data/3W/3WRH-CAM/3WRH-CAM_ligand.pdbqt
data/3W/3WRH-CAM/3WRH-CAM_target.pdbqt
data/3W/3WRH-CAM/3WRH-CAM_decoys.pdbqt
data/3W/3WRH-CAM/3WRH-CAM_decoy_scores.csv
3WI7-NHE
data/3W/3WI7-NHE/3WI7-NHE_ligand.pdbqt
data/3W/3WI7-NHE/3WI7-NHE_target.pdbqt
data/3W/3WI7-NHE/3WI7-NHE_decoys.pdbqt
data/3W/3WI7-NHE/3WI7-NHE_decoy_scores.csv
3WKD-S0K
data/3W/3WKD-S0K/3WKD-S0K_ligand.pdbqt
data/3W/3WKD-S0K/3WKD-S0K_target.pdbqt
data/3W/3WKD-S0K/3WKD-S0K_decoys.pdbqt
data/3W/3WKD-S0K/3WKD-S0K_decoy_scores.csv
3W72-W7B
data/3W/3W72-W7B/3W72-W7B_ligand.pdbqt
data/3W/3W72-W7B/3W72-W7B_target.pdbqt
data/3W/3W72-W7B/3W72-W7B_decoys.pdbqt
data/3W/3W72-W7B/3W72-W7B_decoy_scores.csv
3W1R-FMN
data/3W/3W1R-FMN/3W1R-FMN_ligand.pdbqt
data/3W/3W1R-FMN/3W1R-FMN_target.pdbqt
data/3W/3W1R-FMN/3W1R-FMN_decoys.pdbqt
data/3W/3W1R-FMN/3W1R-FMN_decoy_scores.csv
3WZD-LEV
data/3W/3WZD-LEV/3WZD-LEV_ligand.pdbqt
data/3W/3WZD-LEV/3WZD-LEV_target.pdbqt
data/3W/3WZD-LEV/3WZD-LEV_decoys.pdbqt
data/3W/3WZD-LEV/3WZD-LEV_decoy_scores.csv
3WTQ-YS9
data/3W/3WTQ-YS9/3WTQ-YS9_ligand.pdbqt
data/3W/3WTQ-YS9/3WTQ-YS9_target.pdbqt
data/3W/3WTQ-YS9/3WTQ-YS9_decoys.pdbqt
data/3W/3WTQ-YS9/3WTQ-YS9_decoy_scores.csv
3W5S-BEN
data/3W/3W5S-BEN/3W5S-BEN_ligand.pdbqt
data/3W/3W5S-BEN/3W5S-BEN_target.pdbqt
data/3W/3W5S-BEN/3W5S-BEN_decoys.pdbqt
data/3W/3W5S-BEN/3W5S-BEN_decoy_scores.csv
3WQR-LSX
data/3W/3WQR-LSX/3WQR-LSX_ligand.pdbqt
data/3W/3WQR-LSX/3WQR-LSX_target.pdbqt
data/3W/3WQR-LSX/3WQR-LSX_decoys.pdbqt
data/3W/3WQR-LSX/3WQR-LSX_decoy_scores.csv
3WJP-ANP
data/3W/3WJP-ANP/3WJP-ANP_ligand.pdbqt
data/3W/3WJP-ANP/3WJP-ANP_target.pdbqt
data/3W/3WJP-ANP/3WJP-ANP_decoys.pdbqt
data/3W/3WJP-ANP/3WJP-ANP_decoy_scores.csv
3W1T-FMN
data/3W/3W1T-FMN/3W1T-FMN_ligand.pdbqt
data/3W/3W1T-FMN/3W1T-FMN_target.pdbqt
data/3W/3W1T-FMN/3W1T-FMN_decoys.pdbqt
data/3W/3W1T-FMN/3W1T-FMN_decoy_scores.csv
3W8E-NAD
data/3W/3W8E-NAD/3W8E-NAD_ligand.pdbqt
data/3W/3W8E-NAD/3W8E-NAD_target.pdbqt
data/3W/3W8E-NAD/3W8E-NAD_decoys.pdbqt
data/3W/3W8E-NAD/3W8E-NAD_decoy_scores.csv
3W7P-W7P
data/3W/3W7P-W7P/3W7P-W7P_ligand.pdbqt
data/3W/3W7P-W7P/3W7P-W7P_target.pdbqt
data/3W/3W7P-W7P/3W7P-W7P_decoys.pdbqt
data/3W/3W7P-W7P/3W7P-W7P_decoy_scores.csv
3WQP-CAP
data/3W/3WQP-CAP/3WQP-CAP_ligand.pdbqt
data/3W/3WQP-CAP/3WQP-CAP_target.pdbqt
data/3W/3WQP-CAP/3WQP-CAP_decoys.pdbqt
data/3W/3WQP-CAP/3WQP-CAP_decoy_scores.csv
3W1N-IRO
data/3W/3W1N-IRO/3W1N-IRO_ligand.pdbqt
data/3W/3W1N-IRO/3W1N-IRO_target.pdbqt
data/3W/3W1N-IRO/3W1N-IRO_decoys.pdbqt
data/3W/3W1N-IRO/3W1N-IRO_decoy_scores.csv
3WTN-N2Y
data/3W/3WTN-N2Y/3WTN-N2Y_ligand.pdbqt
data/3W/3WTN-N2Y/3WTN-N2Y_target.pdbqt
data/3W/3WTN-N2Y/3WTN-N2Y_decoys.pdbqt
data/3W/3WTN-N2Y/3WTN-N2Y_decoy_scores.csv
3WOW-ANP
data/3W/3WOW-ANP/3WOW-ANP_ligand.pdbqt
data/3W/3WOW-ANP/3WOW-ANP_target.pdbqt
data/3W/3WOW-ANP/3WOW-ANP_decoys.pdbqt
data/3W/3WOW-ANP/3WOW-ANP_decoy_scores.csv
3WQJ-SQL
data/3W/3WQJ-SQL/3WQJ-SQL_ligand.pdbqt
data/3W/3WQJ-SQL/3WQJ-SQL_target.pdbqt
data/3W/3WQJ-SQL/3WQJ-SQL_decoys.pdbqt
data/3W/3WQJ-SQL/3WQJ-SQL_decoy_scores.csv
3W1M-FMN
data/3W/3W1M-FMN/3W1M-FMN_ligand.pdbqt
data/3W/3W1M-FMN/3W1M-FMN_target.pdbqt
data/3W/3W1M-FMN/3W1M-FMN_decoys.pdbqt
data/3W/3W1M-FMN/3W1M-FMN_decoy_scores.csv
3W84-FMN
data/3W/3W84-FMN/3W84-FMN_ligand.pdbqt
data/3W/3W84-FMN/3W84-FMN_target.pdbqt
data/3W/3W84-FMN/3W84-FMN_decoys.pdbqt
data/3W/3W84-FMN/3W84-FMN_decoy_scores.csv
3W1X-FMN
data/3W/3W1X-FMN/3W1X-FMN_ligand.pdbqt
data/3W/3W1X-FMN/3W1X-FMN_target.pdbqt
data/3W/3W1X-FMN/3W1X-FMN_decoys.pdbqt
data/3W/3W1X-FMN/3W1X-FMN_decoy_scores.csv
3W7S-GLC
data/3W/3W7S-GLC/3W7S-GLC_ligand.pdbqt
data/3W/3W7S-GLC/3W7S-GLC_target.pdbqt
data/3W/3W7S-GLC/3W7S-GLC_decoys.pdbqt
data/3W/3W7S-GLC/3W7S-GLC_decoy_scores.csv
3WI5-FLC
data/3W/3WI5-FLC/3WI5-FLC_ligand.pdbqt
data/3W/3WI5-FLC/3WI5-FLC_target.pdbqt
data/3W/3WI5-FLC/3WI5-FLC_decoys.pdbqt
data/3W/3WI5-FLC/3WI5-FLC_decoy_scores.csv
3W7M-FMN
data/3W/3W7M-FMN/3W7M-FMN_ligand.pdbqt
data/3W/3W7M-FMN/3W7M-FMN_target.pdbqt
data/3W/3W7M-FMN/3W7M-FMN_decoys.pdbqt
data/3W/3W7M-FMN/3W7M-FMN_decoy_scores.csv
3WGC-PLG
data/3W/3WGC-PLG/3WGC-PLG_ligand.pdbqt
data/3W/3WGC-PLG/3WGC-PLG_target.pdbqt
data/3W/3WGC-PLG/3WGC-PLG_decoys.pdbqt
data/3W/3WGC-PLG/3WGC-PLG_decoy_scores.csv
3WYH-P6G
data/3W/3WYH-P6G/3WYH-P6G_ligand.pdbqt
data/3W/3WYH-P6G/3WYH-P6G_target.pdbqt
data/3W/3WYH-P6G/3WYH-P6G_decoys.pdbqt
data/3W/3WYH-P6G/3WYH-P6G_decoy_scores.csv
3W7K-FMN
data/3W/3W7K-FMN/3W7K-FMN_ligand.pdbqt
data/3W/3W7K-FMN/3W7K-FMN_target.pdbqt
data/3W/3W7K-FMN/3W7K-FMN_decoys.pdbqt
data/3W/3W7K-FMN/3W7K-FMN_decoy_scores.csv
3W7C-FMN
data/3W/3W7C-FMN/3W7C-FMN_ligand.pdbqt
data/3W/3W7C-FMN/3W7C-FMN_target.pdbqt
data/3W/3W7C-FMN/3W7C-FMN_decoys.pdbqt
data/3W/3W7C-FMN/3W7C-FMN_decoy_scores.csv
3W1W-SAL
data/3W/3W1W-SAL/3W1W-SAL_ligand.pdbqt
data/3W/3W1W-SAL/3W1W-SAL_target.pdbqt
data/3W/3W1W-SAL/3W1W-SAL_decoys.pdbqt
data/3W/3W1W-SAL/3W1W-SAL_decoy_scores.csv
3W7P-FMN
data/3W/3W7P-FMN/3W7P-FMN_ligand.pdbqt
data/3W/3W7P-FMN/3W7P-FMN_target.pdbqt
data/3W/3W7P-FMN/3W7P-FMN_decoys.pdbqt
data/3W/3W7P-FMN/3W7P-FMN_decoy_scores.csv
3W0S-ANP
data/3W/3W0S-ANP/3W0S-ANP_ligand.pdbqt
data/3W/3W0S-ANP/3W0S-ANP_target.pdbqt
data/3W/3W0S-ANP/3W0S-ANP_decoys.pdbqt
data/3W/3W0S-ANP/3W0S-ANP_decoy_scores.csv
3WZS-PQE
data/3W/3WZS-PQE/3WZS-PQE_ligand.pdbqt
data/3W/3WZS-PQE/3WZS-PQE_target.pdbqt
data/3W/3WZS-PQE/3WZS-PQE_decoys.pdbqt
data/3W/3WZS-PQE/3WZS-PQE_decoy_scores.csv
3WI2-P98
data/3W/3WI2-P98/3WI2-P98_ligand.pdbqt
data/3W/3WI2-P98/3WI2-P98_target.pdbqt
data/3W/3WI2-P98/3WI2-P98_decoys.pdbqt
data/3W/3WI2-P98/3WI2-P98_decoy_scores.csv
3WCI-BH5
data/3W/3WCI-BH5/3WCI-BH5_ligand.pdbqt
data/3W/3WCI-BH5/3WCI-BH5_target.pdbqt
data/3W/3WCI-BH5/3WCI-BH5_decoys.pdbqt
data/3W/3WCI-BH5/3WCI-BH5_decoy_scores.csv
3WZP-ZOF
data/3W/3WZP-ZOF/3WZP-ZOF_ligand.pdbqt
data/3W/3WZP-ZOF/3WZP-ZOF_target.pdbqt
data/3W/3WZP-ZOF/3WZP-ZOF_decoys.pdbqt
data/3W/3WZP-ZOF/3WZP-ZOF_decoy_scores.csv
3WZ6-PG6
data/3W/3WZ6-PG6/3WZ6-PG6_ligand.pdbqt
data/3W/3WZ6-PG6/3WZ6-PG6_target.pdbqt
data/3W/3WZ6-PG6/3WZ6-PG6_decoys.pdbqt
data/3W/3WZ6-PG6/3WZ6-PG6_decoy_scores.csv
3W9F-I3P
data/3W/3W9F-I3P/3W9F-I3P_ligand.pdbqt
data/3W/3W9F-I3P/3W9F-I3P_target.pdbqt
data/3W/3W9F-I3P/3W9F-I3P_decoys.pdbqt
data/3W/3W9F-I3P/3W9F-I3P_decoy_scores.csv
3WW2-SF9
data/3W/3WW2-SF9/3WW2-SF9_ligand.pdbqt
data/3W/3WW2-SF9/3WW2-SF9_target.pdbqt
data/3W/3WW2-SF9/3WW2-SF9_decoys.pdbqt
data/3W/3WW2-SF9/3WW2-SF9_decoy_scores.csv
3W2G-NAD
data/3W/3W2G-NAD/3W2G-NAD_ligand.pdbqt
data/3W/3W2G-NAD/3W2G-NAD_target.pdbqt
data/3W/3W2G-NAD/3W2G-NAD_decoys.pdbqt
data/3W/3W2G-NAD/3W2G-NAD_decoy_scores.csv
3WH7-NHE
data/3W/3WH7-NHE/3WH7-NHE_ligand.pdbqt
data/3W/3WH7-NHE/3WH7-NHE_target.pdbqt
data/3W/3WH7-NHE/3WH7-NHE_decoys.pdbqt
data/3W/3WH7-NHE/3WH7-NHE_decoy_scores.csv
3WO6-OLC
data/3W/3WO6-OLC/3WO6-OLC_ligand.pdbqt
data/3W/3WO6-OLC/3WO6-OLC_target.pdbqt
data/3W/3WO6-OLC/3WO6-OLC_decoys.pdbqt
data/3W/3WO6-OLC/3WO6-OLC_decoy_scores.csv
3W5R-LOA
data/3W/3W5R-LOA/3W5R-LOA_ligand.pdbqt
data/3W/3W5R-LOA/3W5R-LOA_target.pdbqt
data/3W/3W5R-LOA/3W5R-LOA_decoys.pdbqt
data/3W/3W5R-LOA/3W5R-LOA_decoy_scores.csv
3WOM-TYR
data/3W/3WOM-TYR/3WOM-TYR_ligand.pdbqt
data/3W/3WOM-TYR/3WOM-TYR_target.pdbqt
data/3W/3WOM-TYR/3WOM-TYR_decoys.pdbqt
data/3W/3WOM-TYR/3WOM-TYR_decoy_scores.csv
3WU2-RRX
data/3W/3WU2-RRX/3WU2-RRX_ligand.pdbqt
data/3W/3WU2-RRX/3WU2-RRX_target.pdbqt
data/3W/3WU2-RRX/3WU2-RRX_decoys.pdbqt
data/3W/3WU2-RRX/3WU2-RRX_decoy_scores.csv
3W1V-UDZ
data/3W/3W1V-UDZ/3W1V-UDZ_ligand.pdbqt
data/3W/3W1V-UDZ/3W1V-UDZ_target.pdbqt
data/3W/3W1V-UDZ/3W1V-UDZ_decoys.pdbqt
data/3W/3W1V-UDZ/3W1V-UDZ_decoy_scores.csv
3WRX-AGS
data/3W/3WRX-AGS/3WRX-AGS_ligand.pdbqt
data/3W/3WRX-AGS/3WRX-AGS_target.pdbqt
null
null
3WVC-FEG
data/3W/3WVC-FEG/3WVC-FEG_ligand.pdbqt
data/3W/3WVC-FEG/3WVC-FEG_target.pdbqt
data/3W/3WVC-FEG/3WVC-FEG_decoys.pdbqt
data/3W/3WVC-FEG/3WVC-FEG_decoy_scores.csv
3W0P-ADP
data/3W/3W0P-ADP/3W0P-ADP_ligand.pdbqt
data/3W/3W0P-ADP/3W0P-ADP_target.pdbqt
data/3W/3W0P-ADP/3W0P-ADP_decoys.pdbqt
data/3W/3W0P-ADP/3W0P-ADP_decoy_scores.csv
3WKB-S0I
data/3W/3WKB-S0I/3WKB-S0I_ligand.pdbqt
data/3W/3WKB-S0I/3WKB-S0I_target.pdbqt
data/3W/3WKB-S0I/3WKB-S0I_decoys.pdbqt
data/3W/3WKB-S0I/3WKB-S0I_decoy_scores.csv
3WF8-F76
data/3W/3WF8-F76/3WF8-F76_ligand.pdbqt
data/3W/3WF8-F76/3WF8-F76_target.pdbqt
data/3W/3WF8-F76/3WF8-F76_decoys.pdbqt
data/3W/3WF8-F76/3WF8-F76_decoy_scores.csv
4S1D-41M
data/4S/4S1D-41M/4S1D-41M_ligand.pdbqt
data/4S/4S1D-41M/4S1D-41M_target.pdbqt
data/4S/4S1D-41M/4S1D-41M_decoys.pdbqt
data/4S/4S1D-41M/4S1D-41M_decoy_scores.csv
4S1G-43T
data/4S/4S1G-43T/4S1G-43T_ligand.pdbqt
data/4S/4S1G-43T/4S1G-43T_target.pdbqt
data/4S/4S1G-43T/4S1G-43T_decoys.pdbqt
data/4S/4S1G-43T/4S1G-43T_decoy_scores.csv
4S3E-0CG
data/4S/4S3E-0CG/4S3E-0CG_ligand.pdbqt
data/4S/4S3E-0CG/4S3E-0CG_target.pdbqt
data/4S/4S3E-0CG/4S3E-0CG_decoys.pdbqt
data/4S/4S3E-0CG/4S3E-0CG_decoy_scores.csv
4S0V-OLA
data/4S/4S0V-OLA/4S0V-OLA_ligand.pdbqt
data/4S/4S0V-OLA/4S0V-OLA_target.pdbqt
data/4S/4S0V-OLA/4S0V-OLA_decoys.pdbqt
data/4S/4S0V-OLA/4S0V-OLA_decoy_scores.csv
4S15-4D8
data/4S/4S15-4D8/4S15-4D8_ligand.pdbqt
data/4S/4S15-4D8/4S15-4D8_target.pdbqt
data/4S/4S15-4D8/4S15-4D8_decoys.pdbqt
data/4S/4S15-4D8/4S15-4D8_decoy_scores.csv
4S28-SAH
data/4S/4S28-SAH/4S28-SAH_ligand.pdbqt
data/4S/4S28-SAH/4S28-SAH_target.pdbqt
data/4S/4S28-SAH/4S28-SAH_decoys.pdbqt
data/4S/4S28-SAH/4S28-SAH_decoy_scores.csv
4S1K-ATP
data/4S/4S1K-ATP/4S1K-ATP_ligand.pdbqt
data/4S/4S1K-ATP/4S1K-ATP_target.pdbqt
data/4S/4S1K-ATP/4S1K-ATP_decoys.pdbqt
data/4S/4S1K-ATP/4S1K-ATP_decoy_scores.csv
4S0V-SUV
data/4S/4S0V-SUV/4S0V-SUV_ligand.pdbqt
data/4S/4S0V-SUV/4S0V-SUV_target.pdbqt
data/4S/4S0V-SUV/4S0V-SUV_decoys.pdbqt
data/4S/4S0V-SUV/4S0V-SUV_decoy_scores.csv
4SLI-CNP
data/4S/4SLI-CNP/4SLI-CNP_ligand.pdbqt
data/4S/4SLI-CNP/4SLI-CNP_target.pdbqt
data/4S/4SLI-CNP/4SLI-CNP_decoys.pdbqt
data/4S/4SLI-CNP/4SLI-CNP_decoy_scores.csv
4S27-AIR
data/4S/4S27-AIR/4S27-AIR_ligand.pdbqt
data/4S/4S27-AIR/4S27-AIR_target.pdbqt
data/4S/4S27-AIR/4S27-AIR_decoys.pdbqt
data/4S/4S27-AIR/4S27-AIR_decoy_scores.csv
4S33-ANP
data/4S/4S33-ANP/4S33-ANP_ligand.pdbqt
data/4S/4S33-ANP/4S33-ANP_target.pdbqt
data/4S/4S33-ANP/4S33-ANP_decoys.pdbqt
data/4S/4S33-ANP/4S33-ANP_decoy_scores.csv
4S39-H6P
data/4S/4S39-H6P/4S39-H6P_ligand.pdbqt
data/4S/4S39-H6P/4S39-H6P_target.pdbqt
data/4S/4S39-H6P/4S39-H6P_decoys.pdbqt
data/4S/4S39-H6P/4S39-H6P_decoy_scores.csv
4S34-ANP
data/4S/4S34-ANP/4S34-ANP_ligand.pdbqt
data/4S/4S34-ANP/4S34-ANP_target.pdbqt
data/4S/4S34-ANP/4S34-ANP_decoys.pdbqt
data/4S/4S34-ANP/4S34-ANP_decoy_scores.csv
4S1L-ATP
data/4S/4S1L-ATP/4S1L-ATP_ligand.pdbqt
data/4S/4S1L-ATP/4S1L-ATP_target.pdbqt
data/4S/4S1L-ATP/4S1L-ATP_decoys.pdbqt
data/4S/4S1L-ATP/4S1L-ATP_decoy_scores.csv
4S25-IRN
data/4S/4S25-IRN/4S25-IRN_ligand.pdbqt
data/4S/4S25-IRN/4S25-IRN_target.pdbqt
data/4S/4S25-IRN/4S25-IRN_decoys.pdbqt
data/4S/4S25-IRN/4S25-IRN_decoy_scores.csv
4S25-SAH
data/4S/4S25-SAH/4S25-SAH_ligand.pdbqt
data/4S/4S25-SAH/4S25-SAH_target.pdbqt
data/4S/4S25-SAH/4S25-SAH_decoys.pdbqt
data/4S/4S25-SAH/4S25-SAH_decoy_scores.csv
4S2O-NXL
data/4S/4S2O-NXL/4S2O-NXL_ligand.pdbqt
data/4S/4S2O-NXL/4S2O-NXL_target.pdbqt
data/4S/4S2O-NXL/4S2O-NXL_decoys.pdbqt
data/4S/4S2O-NXL/4S2O-NXL_decoy_scores.csv
4S3F-43W
data/4S/4S3F-43W/4S3F-43W_ligand.pdbqt
data/4S/4S3F-43W/4S3F-43W_target.pdbqt
data/4S/4S3F-43W/4S3F-43W_decoys.pdbqt
data/4S/4S3F-43W/4S3F-43W_decoy_scores.csv
4S26-IRN
data/4S/4S26-IRN/4S26-IRN_ligand.pdbqt
data/4S/4S26-IRN/4S26-IRN_target.pdbqt
data/4S/4S26-IRN/4S26-IRN_decoys.pdbqt
data/4S/4S26-IRN/4S26-IRN_decoy_scores.csv
4S28-AIR
data/4S/4S28-AIR/4S28-AIR_ligand.pdbqt
data/4S/4S28-AIR/4S28-AIR_target.pdbqt
data/4S/4S28-AIR/4S28-AIR_decoys.pdbqt
data/4S/4S28-AIR/4S28-AIR_decoy_scores.csv
4S3A-43Q
data/4S/4S3A-43Q/4S3A-43Q_ligand.pdbqt
data/4S/4S3A-43Q/4S3A-43Q_target.pdbqt
data/4S/4S3A-43Q/4S3A-43Q_decoys.pdbqt
data/4S/4S3A-43Q/4S3A-43Q_decoy_scores.csv
4S1B-2BA
data/4S/4S1B-2BA/4S1B-2BA_ligand.pdbqt
data/4S/4S1B-2BA/4S1B-2BA_target.pdbqt
data/4S/4S1B-2BA/4S1B-2BA_decoys.pdbqt
data/4S/4S1B-2BA/4S1B-2BA_decoy_scores.csv
4S1A-FLC
data/4S/4S1A-FLC/4S1A-FLC_ligand.pdbqt
data/4S/4S1A-FLC/4S1A-FLC_target.pdbqt
data/4S/4S1A-FLC/4S1A-FLC_decoys.pdbqt
data/4S/4S1A-FLC/4S1A-FLC_decoy_scores.csv