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
⌀
3WQJ-L2P
data/3W/3WQJ-L2P/3WQJ-L2P_ligand.pdbqt
data/3W/3WQJ-L2P/3WQJ-L2P_target.pdbqt
data/3W/3WQJ-L2P/3WQJ-L2P_decoys.pdbqt
data/3W/3WQJ-L2P/3WQJ-L2P_decoy_scores.csv
3WD4-QUB
data/3W/3WD4-QUB/3WD4-QUB_ligand.pdbqt
data/3W/3WD4-QUB/3WD4-QUB_target.pdbqt
data/3W/3WD4-QUB/3WD4-QUB_decoys.pdbqt
data/3W/3WD4-QUB/3WD4-QUB_decoy_scores.csv
3WEB-OLA
data/3W/3WEB-OLA/3WEB-OLA_ligand.pdbqt
data/3W/3WEB-OLA/3WEB-OLA_target.pdbqt
data/3W/3WEB-OLA/3WEB-OLA_decoys.pdbqt
data/3W/3WEB-OLA/3WEB-OLA_decoy_scores.csv
3WMR-P4G
data/3W/3WMR-P4G/3WMR-P4G_ligand.pdbqt
data/3W/3WMR-P4G/3WMR-P4G_target.pdbqt
data/3W/3WMR-P4G/3WMR-P4G_decoys.pdbqt
data/3W/3WMR-P4G/3WMR-P4G_decoy_scores.csv
3WW4-3BU
data/3W/3WW4-3BU/3WW4-3BU_ligand.pdbqt
data/3W/3WW4-3BU/3WW4-3BU_target.pdbqt
data/3W/3WW4-3BU/3WW4-3BU_decoys.pdbqt
data/3W/3WW4-3BU/3WW4-3BU_decoy_scores.csv
3WXQ-STE
data/3W/3WXQ-STE/3WXQ-STE_ligand.pdbqt
data/3W/3WXQ-STE/3WXQ-STE_target.pdbqt
data/3W/3WXQ-STE/3WXQ-STE_decoys.pdbqt
data/3W/3WXQ-STE/3WXQ-STE_decoy_scores.csv
3WD4-A1L
data/3W/3WD4-A1L/3WD4-A1L_ligand.pdbqt
data/3W/3WD4-A1L/3WD4-A1L_target.pdbqt
data/3W/3WD4-A1L/3WD4-A1L_decoys.pdbqt
data/3W/3WD4-A1L/3WD4-A1L_decoy_scores.csv
3W7O-FMN
data/3W/3W7O-FMN/3W7O-FMN_ligand.pdbqt
data/3W/3W7O-FMN/3W7O-FMN_target.pdbqt
data/3W/3W7O-FMN/3W7O-FMN_decoys.pdbqt
data/3W/3W7O-FMN/3W7O-FMN_decoy_scores.csv
3W6X-P6G
data/3W/3W6X-P6G/3W6X-P6G_ligand.pdbqt
data/3W/3W6X-P6G/3W6X-P6G_target.pdbqt
data/3W/3W6X-P6G/3W6X-P6G_decoys.pdbqt
data/3W/3W6X-P6G/3W6X-P6G_decoy_scores.csv
3WBA-GLC
data/3W/3WBA-GLC/3WBA-GLC_ligand.pdbqt
data/3W/3WBA-GLC/3WBA-GLC_target.pdbqt
data/3W/3WBA-GLC/3WBA-GLC_decoys.pdbqt
data/3W/3WBA-GLC/3WBA-GLC_decoy_scores.csv
3WJZ-NUP
data/3W/3WJZ-NUP/3WJZ-NUP_ligand.pdbqt
data/3W/3WJZ-NUP/3WJZ-NUP_target.pdbqt
data/3W/3WJZ-NUP/3WJZ-NUP_decoys.pdbqt
data/3W/3WJZ-NUP/3WJZ-NUP_decoy_scores.csv
3WKA-S0G
data/3W/3WKA-S0G/3WKA-S0G_ligand.pdbqt
data/3W/3WKA-S0G/3WKA-S0G_target.pdbqt
data/3W/3WKA-S0G/3WKA-S0G_decoys.pdbqt
data/3W/3WKA-S0G/3WKA-S0G_decoy_scores.csv
3WBN-OLC
data/3W/3WBN-OLC/3WBN-OLC_ligand.pdbqt
data/3W/3WBN-OLC/3WBN-OLC_target.pdbqt
data/3W/3WBN-OLC/3WBN-OLC_decoys.pdbqt
data/3W/3WBN-OLC/3WBN-OLC_decoy_scores.csv
3WJW-U6M
data/3W/3WJW-U6M/3WJW-U6M_ligand.pdbqt
data/3W/3WJW-U6M/3WJW-U6M_target.pdbqt
data/3W/3WJW-U6M/3WJW-U6M_decoys.pdbqt
data/3W/3WJW-U6M/3WJW-U6M_decoy_scores.csv
3WK7-S0D
data/3W/3WK7-S0D/3WK7-S0D_ligand.pdbqt
data/3W/3WK7-S0D/3WK7-S0D_target.pdbqt
data/3W/3WK7-S0D/3WK7-S0D_decoys.pdbqt
data/3W/3WK7-S0D/3WK7-S0D_decoy_scores.csv
3WBE-GLC
data/3W/3WBE-GLC/3WBE-GLC_ligand.pdbqt
data/3W/3WBE-GLC/3WBE-GLC_target.pdbqt
data/3W/3WBE-GLC/3WBE-GLC_decoys.pdbqt
data/3W/3WBE-GLC/3WBE-GLC_decoy_scores.csv
3W1W-CHD
data/3W/3W1W-CHD/3W1W-CHD_ligand.pdbqt
data/3W/3W1W-CHD/3W1W-CHD_target.pdbqt
data/3W/3W1W-CHD/3W1W-CHD_decoys.pdbqt
data/3W/3W1W-CHD/3W1W-CHD_decoy_scores.csv
3WK0-O7M
data/3W/3WK0-O7M/3WK0-O7M_ligand.pdbqt
data/3W/3WK0-O7M/3WK0-O7M_target.pdbqt
data/3W/3WK0-O7M/3WK0-O7M_decoys.pdbqt
data/3W/3WK0-O7M/3WK0-O7M_decoy_scores.csv
3W7A-FMN
data/3W/3W7A-FMN/3W7A-FMN_ligand.pdbqt
data/3W/3W7A-FMN/3W7A-FMN_target.pdbqt
data/3W/3W7A-FMN/3W7A-FMN_decoys.pdbqt
data/3W/3W7A-FMN/3W7A-FMN_decoy_scores.csv
3W79-FMN
data/3W/3W79-FMN/3W79-FMN_ligand.pdbqt
data/3W/3W79-FMN/3W79-FMN_target.pdbqt
data/3W/3W79-FMN/3W79-FMN_decoys.pdbqt
data/3W/3W79-FMN/3W79-FMN_decoy_scores.csv
3WJQ-ATP
data/3W/3WJQ-ATP/3WJQ-ATP_ligand.pdbqt
data/3W/3WJQ-ATP/3WJQ-ATP_target.pdbqt
data/3W/3WJQ-ATP/3WJQ-ATP_decoys.pdbqt
data/3W/3WJQ-ATP/3WJQ-ATP_decoy_scores.csv
3WYM-3K9
data/3W/3WYM-3K9/3WYM-3K9_ligand.pdbqt
data/3W/3WYM-3K9/3WYM-3K9_target.pdbqt
data/3W/3WYM-3K9/3WYM-3K9_decoys.pdbqt
data/3W/3WYM-3K9/3WYM-3K9_decoy_scores.csv
3WCF-BH8
data/3W/3WCF-BH8/3WCF-BH8_ligand.pdbqt
data/3W/3WCF-BH8/3WCF-BH8_target.pdbqt
data/3W/3WCF-BH8/3WCF-BH8_decoys.pdbqt
data/3W/3WCF-BH8/3WCF-BH8_decoy_scores.csv
3WIX-LC3
data/3W/3WIX-LC3/3WIX-LC3_ligand.pdbqt
data/3W/3WIX-LC3/3WIX-LC3_target.pdbqt
data/3W/3WIX-LC3/3WIX-LC3_decoys.pdbqt
data/3W/3WIX-LC3/3WIX-LC3_decoy_scores.csv
3WGP-ED9
data/3W/3WGP-ED9/3WGP-ED9_ligand.pdbqt
data/3W/3WGP-ED9/3WGP-ED9_target.pdbqt
data/3W/3WGP-ED9/3WGP-ED9_decoys.pdbqt
data/3W/3WGP-ED9/3WGP-ED9_decoy_scores.csv
3WEV-LYS
data/3W/3WEV-LYS/3WEV-LYS_ligand.pdbqt
data/3W/3WEV-LYS/3WEV-LYS_target.pdbqt
data/3W/3WEV-LYS/3WEV-LYS_decoys.pdbqt
data/3W/3WEV-LYS/3WEV-LYS_decoy_scores.csv
3WRC-DHB
data/3W/3WRC-DHB/3WRC-DHB_ligand.pdbqt
data/3W/3WRC-DHB/3WRC-DHB_target.pdbqt
data/3W/3WRC-DHB/3WRC-DHB_decoys.pdbqt
data/3W/3WRC-DHB/3WRC-DHB_decoy_scores.csv
3W0U-HPW
data/3W/3W0U-HPW/3W0U-HPW_ligand.pdbqt
data/3W/3W0U-HPW/3W0U-HPW_target.pdbqt
data/3W/3W0U-HPW/3W0U-HPW_decoys.pdbqt
data/3W/3W0U-HPW/3W0U-HPW_decoy_scores.csv
3WFG-WFG
data/3W/3WFG-WFG/3WFG-WFG_ligand.pdbqt
data/3W/3WFG-WFG/3WFG-WFG_target.pdbqt
data/3W/3WFG-WFG/3WFG-WFG_decoys.pdbqt
data/3W/3WFG-WFG/3WFG-WFG_decoy_scores.csv
3WLV-AZA
data/3W/3WLV-AZA/3WLV-AZA_ligand.pdbqt
data/3W/3WLV-AZA/3WLV-AZA_target.pdbqt
data/3W/3WLV-AZA/3WLV-AZA_decoys.pdbqt
data/3W/3WLV-AZA/3WLV-AZA_decoy_scores.csv
3WB0-FEG
data/3W/3WB0-FEG/3WB0-FEG_ligand.pdbqt
data/3W/3WB0-FEG/3WB0-FEG_target.pdbqt
data/3W/3WB0-FEG/3WB0-FEG_decoys.pdbqt
data/3W/3WB0-FEG/3WB0-FEG_decoy_scores.csv
3WUR-O4B
data/3W/3WUR-O4B/3WUR-O4B_ligand.pdbqt
data/3W/3WUR-O4B/3WUR-O4B_target.pdbqt
data/3W/3WUR-O4B/3WUR-O4B_decoys.pdbqt
data/3W/3WUR-O4B/3WUR-O4B_decoy_scores.csv
3WZK-O23
data/3W/3WZK-O23/3WZK-O23_ligand.pdbqt
data/3W/3WZK-O23/3WZK-O23_target.pdbqt
data/3W/3WZK-O23/3WZK-O23_decoys.pdbqt
data/3W/3WZK-O23/3WZK-O23_decoy_scores.csv
3W1Q-YRO
data/3W/3W1Q-YRO/3W1Q-YRO_ligand.pdbqt
data/3W/3W1Q-YRO/3W1Q-YRO_target.pdbqt
data/3W/3W1Q-YRO/3W1Q-YRO_decoys.pdbqt
data/3W/3W1Q-YRO/3W1Q-YRO_decoy_scores.csv
3W75-W75
data/3W/3W75-W75/3W75-W75_ligand.pdbqt
data/3W/3W75-W75/3W75-W75_target.pdbqt
data/3W/3W75-W75/3W75-W75_decoys.pdbqt
data/3W/3W75-W75/3W75-W75_decoy_scores.csv
3WBG-2AN
data/3W/3WBG-2AN/3WBG-2AN_ligand.pdbqt
data/3W/3WBG-2AN/3WBG-2AN_target.pdbqt
data/3W/3WBG-2AN/3WBG-2AN_decoys.pdbqt
data/3W/3WBG-2AN/3WBG-2AN_decoy_scores.csv
3WK3-O7E
data/3W/3WK3-O7E/3WK3-O7E_ligand.pdbqt
data/3W/3WK3-O7E/3WK3-O7E_target.pdbqt
data/3W/3WK3-O7E/3WK3-O7E_decoys.pdbqt
data/3W/3WK3-O7E/3WK3-O7E_decoy_scores.csv
3WR0-NHE
data/3W/3WR0-NHE/3WR0-NHE_ligand.pdbqt
data/3W/3WR0-NHE/3WR0-NHE_target.pdbqt
data/3W/3WR0-NHE/3WR0-NHE_decoys.pdbqt
data/3W/3WR0-NHE/3WR0-NHE_decoy_scores.csv
3W05-PMS
data/3W/3W05-PMS/3W05-PMS_ligand.pdbqt
data/3W/3W05-PMS/3W05-PMS_target.pdbqt
data/3W/3W05-PMS/3W05-PMS_decoys.pdbqt
data/3W/3W05-PMS/3W05-PMS_decoy_scores.csv
3W71-FMN
data/3W/3W71-FMN/3W71-FMN_ligand.pdbqt
data/3W/3W71-FMN/3W71-FMN_target.pdbqt
data/3W/3W71-FMN/3W71-FMN_decoys.pdbqt
data/3W/3W71-FMN/3W71-FMN_decoy_scores.csv
3W7C-W7C
data/3W/3W7C-W7C/3W7C-W7C_ligand.pdbqt
data/3W/3W7C-W7C/3W7C-W7C_target.pdbqt
data/3W/3W7C-W7C/3W7C-W7C_decoys.pdbqt
data/3W/3W7C-W7C/3W7C-W7C_decoy_scores.csv
3WQS-KBK
data/3W/3WQS-KBK/3WQS-KBK_ligand.pdbqt
data/3W/3WQS-KBK/3WQS-KBK_target.pdbqt
data/3W/3WQS-KBK/3WQS-KBK_decoys.pdbqt
data/3W/3WQS-KBK/3WQS-KBK_decoy_scores.csv
3W1N-FMN
data/3W/3W1N-FMN/3W1N-FMN_ligand.pdbqt
data/3W/3W1N-FMN/3W1N-FMN_target.pdbqt
data/3W/3W1N-FMN/3W1N-FMN_decoys.pdbqt
data/3W/3W1N-FMN/3W1N-FMN_decoy_scores.csv
3WDK-PTJ
data/3W/3WDK-PTJ/3WDK-PTJ_ligand.pdbqt
data/3W/3WDK-PTJ/3WDK-PTJ_target.pdbqt
data/3W/3WDK-PTJ/3WDK-PTJ_decoys.pdbqt
data/3W/3WDK-PTJ/3WDK-PTJ_decoy_scores.csv
3W2Z-CYC
data/3W/3W2Z-CYC/3W2Z-CYC_ligand.pdbqt
data/3W/3W2Z-CYC/3W2Z-CYC_target.pdbqt
data/3W/3W2Z-CYC/3W2Z-CYC_decoys.pdbqt
data/3W/3W2Z-CYC/3W2Z-CYC_decoy_scores.csv
3W2J-FMN
data/3W/3W2J-FMN/3W2J-FMN_ligand.pdbqt
data/3W/3W2J-FMN/3W2J-FMN_target.pdbqt
data/3W/3W2J-FMN/3W2J-FMN_decoys.pdbqt
data/3W/3W2J-FMN/3W2J-FMN_decoy_scores.csv
3WH6-BGC
data/3W/3WH6-BGC/3WH6-BGC_ligand.pdbqt
data/3W/3WH6-BGC/3WH6-BGC_target.pdbqt
data/3W/3WH6-BGC/3WH6-BGC_decoys.pdbqt
data/3W/3WH6-BGC/3WH6-BGC_decoy_scores.csv
3W7R-FMN
data/3W/3W7R-FMN/3W7R-FMN_ligand.pdbqt
data/3W/3W7R-FMN/3W7R-FMN_target.pdbqt
data/3W/3W7R-FMN/3W7R-FMN_decoys.pdbqt
data/3W/3W7R-FMN/3W7R-FMN_decoy_scores.csv
3W8R-CTN
data/3W/3W8R-CTN/3W8R-CTN_ligand.pdbqt
data/3W/3W8R-CTN/3W8R-CTN_target.pdbqt
data/3W/3W8R-CTN/3W8R-CTN_decoys.pdbqt
data/3W/3W8R-CTN/3W8R-CTN_decoy_scores.csv
3WX9-KYA
data/3W/3WX9-KYA/3WX9-KYA_ligand.pdbqt
data/3W/3WX9-KYA/3WX9-KYA_target.pdbqt
data/3W/3WX9-KYA/3WX9-KYA_decoys.pdbqt
data/3W/3WX9-KYA/3WX9-KYA_decoy_scores.csv
3WVM-P6G
data/3W/3WVM-P6G/3WVM-P6G_ligand.pdbqt
data/3W/3WVM-P6G/3WVM-P6G_target.pdbqt
data/3W/3WVM-P6G/3WVM-P6G_decoys.pdbqt
data/3W/3WVM-P6G/3WVM-P6G_decoy_scores.csv
3WAG-TYD
data/3W/3WAG-TYD/3WAG-TYD_ligand.pdbqt
data/3W/3WAG-TYD/3WAG-TYD_target.pdbqt
data/3W/3WAG-TYD/3WAG-TYD_decoys.pdbqt
data/3W/3WAG-TYD/3WAG-TYD_decoy_scores.csv
3WYC-NES
data/3W/3WYC-NES/3WYC-NES_ligand.pdbqt
data/3W/3WYC-NES/3WYC-NES_target.pdbqt
data/3W/3WYC-NES/3WYC-NES_decoys.pdbqt
data/3W/3WYC-NES/3WYC-NES_decoy_scores.csv
3WFH-P2E
data/3W/3WFH-P2E/3WFH-P2E_ligand.pdbqt
data/3W/3WFH-P2E/3WFH-P2E_target.pdbqt
data/3W/3WFH-P2E/3WFH-P2E_decoys.pdbqt
data/3W/3WFH-P2E/3WFH-P2E_decoy_scores.csv
3W00-1GP
data/3W/3W00-1GP/3W00-1GP_ligand.pdbqt
data/3W/3W00-1GP/3W00-1GP_target.pdbqt
data/3W/3W00-1GP/3W00-1GP_decoys.pdbqt
data/3W/3W00-1GP/3W00-1GP_decoy_scores.csv
3W2O-03P
data/3W/3W2O-03P/3W2O-03P_ligand.pdbqt
data/3W/3W2O-03P/3W2O-03P_target.pdbqt
data/3W/3W2O-03P/3W2O-03P_decoys.pdbqt
data/3W/3W2O-03P/3W2O-03P_decoy_scores.csv
3W7J-W7J
data/3W/3W7J-W7J/3W7J-W7J_ligand.pdbqt
data/3W/3W7J-W7J/3W7J-W7J_target.pdbqt
data/3W/3W7J-W7J/3W7J-W7J_decoys.pdbqt
data/3W/3W7J-W7J/3W7J-W7J_decoy_scores.csv
3W3O-ROE
data/3W/3W3O-ROE/3W3O-ROE_ligand.pdbqt
data/3W/3W3O-ROE/3W3O-ROE_target.pdbqt
data/3W/3W3O-ROE/3W3O-ROE_decoys.pdbqt
data/3W/3W3O-ROE/3W3O-ROE_decoy_scores.csv
3W7E-W7F
data/3W/3W7E-W7F/3W7E-W7F_ligand.pdbqt
data/3W/3W7E-W7F/3W7E-W7F_target.pdbqt
data/3W/3W7E-W7F/3W7E-W7F_decoys.pdbqt
data/3W/3W7E-W7F/3W7E-W7F_decoy_scores.csv
3WSJ-MK1
data/3W/3WSJ-MK1/3WSJ-MK1_ligand.pdbqt
data/3W/3WSJ-MK1/3WSJ-MK1_target.pdbqt
data/3W/3WSJ-MK1/3WSJ-MK1_decoys.pdbqt
data/3W/3WSJ-MK1/3WSJ-MK1_decoy_scores.csv
3W7R-ORO
data/3W/3W7R-ORO/3W7R-ORO_ligand.pdbqt
data/3W/3W7R-ORO/3W7R-ORO_target.pdbqt
data/3W/3W7R-ORO/3W7R-ORO_decoys.pdbqt
data/3W/3W7R-ORO/3W7R-ORO_decoy_scores.csv
3WV7-ADP
data/3W/3WV7-ADP/3WV7-ADP_ligand.pdbqt
data/3W/3WV7-ADP/3WV7-ADP_target.pdbqt
data/3W/3WV7-ADP/3WV7-ADP_decoys.pdbqt
data/3W/3WV7-ADP/3WV7-ADP_decoy_scores.csv
3W7J-FMN
data/3W/3W7J-FMN/3W7J-FMN_ligand.pdbqt
data/3W/3W7J-FMN/3W7J-FMN_target.pdbqt
data/3W/3W7J-FMN/3W7J-FMN_decoys.pdbqt
data/3W/3W7J-FMN/3W7J-FMN_decoy_scores.csv
3W8Z-HTK
data/3W/3W8Z-HTK/3W8Z-HTK_ligand.pdbqt
data/3W/3W8Z-HTK/3W8Z-HTK_target.pdbqt
data/3W/3W8Z-HTK/3W8Z-HTK_decoys.pdbqt
data/3W/3W8Z-HTK/3W8Z-HTK_decoy_scores.csv
3W7N-FMN
data/3W/3W7N-FMN/3W7N-FMN_ligand.pdbqt
data/3W/3W7N-FMN/3W7N-FMN_target.pdbqt
data/3W/3W7N-FMN/3W7N-FMN_decoys.pdbqt
data/3W/3W7N-FMN/3W7N-FMN_decoy_scores.csv
3W8F-NAD
data/3W/3W8F-NAD/3W8F-NAD_ligand.pdbqt
data/3W/3W8F-NAD/3W8F-NAD_target.pdbqt
data/3W/3W8F-NAD/3W8F-NAD_decoys.pdbqt
data/3W/3W8F-NAD/3W8F-NAD_decoy_scores.csv
3WZO-P6G
data/3W/3WZO-P6G/3WZO-P6G_ligand.pdbqt
data/3W/3WZO-P6G/3WZO-P6G_target.pdbqt
data/3W/3WZO-P6G/3WZO-P6G_decoys.pdbqt
data/3W/3WZO-P6G/3WZO-P6G_decoy_scores.csv
3W0J-T08
data/3W/3W0J-T08/3W0J-T08_ligand.pdbqt
data/3W/3W0J-T08/3W0J-T08_target.pdbqt
data/3W/3W0J-T08/3W0J-T08_decoys.pdbqt
data/3W/3W0J-T08/3W0J-T08_decoy_scores.csv
3WZY-IPM
data/3W/3WZY-IPM/3WZY-IPM_ligand.pdbqt
data/3W/3WZY-IPM/3WZY-IPM_target.pdbqt
data/3W/3WZY-IPM/3WZY-IPM_decoys.pdbqt
data/3W/3WZY-IPM/3WZY-IPM_decoy_scores.csv
3W2J-QRO
data/3W/3W2J-QRO/3W2J-QRO_ligand.pdbqt
data/3W/3W2J-QRO/3W2J-QRO_target.pdbqt
data/3W/3W2J-QRO/3W2J-QRO_decoys.pdbqt
data/3W/3W2J-QRO/3W2J-QRO_decoy_scores.csv
3W0Q-ANP
data/3W/3W0Q-ANP/3W0Q-ANP_ligand.pdbqt
data/3W/3W0Q-ANP/3W0Q-ANP_target.pdbqt
data/3W/3W0Q-ANP/3W0Q-ANP_decoys.pdbqt
data/3W/3W0Q-ANP/3W0Q-ANP_decoy_scores.csv
3WJO-IPE
data/3W/3WJO-IPE/3WJO-IPE_ligand.pdbqt
data/3W/3WJO-IPE/3WJO-IPE_target.pdbqt
data/3W/3WJO-IPE/3WJO-IPE_decoys.pdbqt
data/3W/3WJO-IPE/3WJO-IPE_decoy_scores.csv
3WYA-GDP
data/3W/3WYA-GDP/3WYA-GDP_ligand.pdbqt
data/3W/3WYA-GDP/3WYA-GDP_target.pdbqt
data/3W/3WYA-GDP/3WYA-GDP_decoys.pdbqt
data/3W/3WYA-GDP/3WYA-GDP_decoy_scores.csv
3WK4-S0A
data/3W/3WK4-S0A/3WK4-S0A_ligand.pdbqt
data/3W/3WK4-S0A/3WK4-S0A_target.pdbqt
data/3W/3WK4-S0A/3WK4-S0A_decoys.pdbqt
data/3W/3WK4-S0A/3WK4-S0A_decoy_scores.csv
3WEG-FPS
data/3W/3WEG-FPS/3WEG-FPS_ligand.pdbqt
data/3W/3WEG-FPS/3WEG-FPS_target.pdbqt
data/3W/3WEG-FPS/3WEG-FPS_decoys.pdbqt
data/3W/3WEG-FPS/3WEG-FPS_decoy_scores.csv
3W2P-W2P
data/3W/3W2P-W2P/3W2P-W2P_ligand.pdbqt
data/3W/3W2P-W2P/3W2P-W2P_target.pdbqt
data/3W/3W2P-W2P/3W2P-W2P_decoys.pdbqt
data/3W/3W2P-W2P/3W2P-W2P_decoy_scores.csv
3WV8-ATP
data/3W/3WV8-ATP/3WV8-ATP_ligand.pdbqt
data/3W/3WV8-ATP/3WV8-ATP_target.pdbqt
data/3W/3WV8-ATP/3WV8-ATP_decoys.pdbqt
data/3W/3WV8-ATP/3WV8-ATP_decoy_scores.csv
3W0H-W12
data/3W/3W0H-W12/3W0H-W12_ligand.pdbqt
data/3W/3W0H-W12/3W0H-W12_target.pdbqt
data/3W/3W0H-W12/3W0H-W12_decoys.pdbqt
data/3W/3W0H-W12/3W0H-W12_decoy_scores.csv
3W5T-LHP
data/3W/3W5T-LHP/3W5T-LHP_ligand.pdbqt
data/3W/3W5T-LHP/3W5T-LHP_target.pdbqt
data/3W/3W5T-LHP/3W5T-LHP_decoys.pdbqt
data/3W/3W5T-LHP/3W5T-LHP_decoy_scores.csv
3W86-FMN
data/3W/3W86-FMN/3W86-FMN_ligand.pdbqt
data/3W/3W86-FMN/3W86-FMN_target.pdbqt
data/3W/3W86-FMN/3W86-FMN_decoys.pdbqt
data/3W/3W86-FMN/3W86-FMN_decoy_scores.csv
3W1Q-FMN
data/3W/3W1Q-FMN/3W1Q-FMN_ligand.pdbqt
data/3W/3W1Q-FMN/3W1Q-FMN_target.pdbqt
data/3W/3W1Q-FMN/3W1Q-FMN_decoys.pdbqt
data/3W/3W1Q-FMN/3W1Q-FMN_decoy_scores.csv
3W85-FMN
data/3W/3W85-FMN/3W85-FMN_ligand.pdbqt
data/3W/3W85-FMN/3W85-FMN_target.pdbqt
data/3W/3W85-FMN/3W85-FMN_decoys.pdbqt
data/3W/3W85-FMN/3W85-FMN_decoy_scores.csv
3W88-W88
data/3W/3W88-W88/3W88-W88_ligand.pdbqt
data/3W/3W88-W88/3W88-W88_target.pdbqt
data/3W/3W88-W88/3W88-W88_decoys.pdbqt
data/3W/3W88-W88/3W88-W88_decoy_scores.csv
3WDM-ADN
data/3W/3WDM-ADN/3WDM-ADN_ligand.pdbqt
data/3W/3WDM-ADN/3WDM-ADN_target.pdbqt
data/3W/3WDM-ADN/3WDM-ADN_decoys.pdbqt
data/3W/3WDM-ADN/3WDM-ADN_decoy_scores.csv
3WBF-API
data/3W/3WBF-API/3WBF-API_ligand.pdbqt
data/3W/3WBF-API/3WBF-API_target.pdbqt
data/3W/3WBF-API/3WBF-API_decoys.pdbqt
data/3W/3WBF-API/3WBF-API_decoy_scores.csv
3W7O-W7O
data/3W/3W7O-W7O/3W7O-W7O_ligand.pdbqt
data/3W/3W7O-W7O/3W7O-W7O_target.pdbqt
data/3W/3W7O-W7O/3W7O-W7O_decoys.pdbqt
data/3W/3W7O-W7O/3W7O-W7O_decoy_scores.csv
3WWX-DIA
data/3W/3WWX-DIA/3WWX-DIA_ligand.pdbqt
data/3W/3WWX-DIA/3WWX-DIA_target.pdbqt
data/3W/3WWX-DIA/3WWX-DIA_decoys.pdbqt
data/3W/3WWX-DIA/3WWX-DIA_decoy_scores.csv
3WYE-NAD
data/3W/3WYE-NAD/3WYE-NAD_ligand.pdbqt
data/3W/3WYE-NAD/3WYE-NAD_target.pdbqt
data/3W/3WYE-NAD/3WYE-NAD_decoys.pdbqt
data/3W/3WYE-NAD/3WYE-NAD_decoy_scores.csv
3W6P-GDP
data/3W/3W6P-GDP/3W6P-GDP_ligand.pdbqt
data/3W/3W6P-GDP/3W6P-GDP_target.pdbqt
null
null
3WW1-0MK
data/3W/3WW1-0MK/3WW1-0MK_ligand.pdbqt
data/3W/3WW1-0MK/3WW1-0MK_target.pdbqt
data/3W/3WW1-0MK/3WW1-0MK_decoys.pdbqt
data/3W/3WW1-0MK/3WW1-0MK_decoy_scores.csv
3WMV-A2G
data/3W/3WMV-A2G/3WMV-A2G_ligand.pdbqt
data/3W/3WMV-A2G/3WMV-A2G_target.pdbqt
data/3W/3WMV-A2G/3WMV-A2G_decoys.pdbqt
data/3W/3WMV-A2G/3WMV-A2G_decoy_scores.csv
3WG7-DMU
data/3W/3WG7-DMU/3WG7-DMU_ligand.pdbqt
data/3W/3WG7-DMU/3WG7-DMU_target.pdbqt
data/3W/3WG7-DMU/3WG7-DMU_decoys.pdbqt
data/3W/3WG7-DMU/3WG7-DMU_decoy_scores.csv
3WMH-JJA
data/3W/3WMH-JJA/3WMH-JJA_ligand.pdbqt
data/3W/3WMH-JJA/3WMH-JJA_target.pdbqt
data/3W/3WMH-JJA/3WMH-JJA_decoys.pdbqt
data/3W/3WMH-JJA/3WMH-JJA_decoy_scores.csv
3WE4-5FI
data/3W/3WE4-5FI/3WE4-5FI_ligand.pdbqt
data/3W/3WE4-5FI/3WE4-5FI_target.pdbqt
data/3W/3WE4-5FI/3WE4-5FI_decoys.pdbqt
data/3W/3WE4-5FI/3WE4-5FI_decoy_scores.csv
3WFF-WFF
data/3W/3WFF-WFF/3WFF-WFF_ligand.pdbqt
data/3W/3WFF-WFF/3WFF-WFF_target.pdbqt
data/3W/3WFF-WFF/3WFF-WFF_decoys.pdbqt
data/3W/3WFF-WFF/3WFF-WFF_decoy_scores.csv
3WY1-PRU
data/3W/3WY1-PRU/3WY1-PRU_ligand.pdbqt
data/3W/3WY1-PRU/3WY1-PRU_target.pdbqt
data/3W/3WY1-PRU/3WY1-PRU_decoys.pdbqt
data/3W/3WY1-PRU/3WY1-PRU_decoy_scores.csv
3WH8-IFM
data/3W/3WH8-IFM/3WH8-IFM_ligand.pdbqt
data/3W/3WH8-IFM/3WH8-IFM_target.pdbqt
data/3W/3WH8-IFM/3WH8-IFM_decoys.pdbqt
data/3W/3WH8-IFM/3WH8-IFM_decoy_scores.csv
3W7R-DDQ
data/3W/3W7R-DDQ/3W7R-DDQ_ligand.pdbqt
data/3W/3W7R-DDQ/3W7R-DDQ_target.pdbqt
data/3W/3W7R-DDQ/3W7R-DDQ_decoys.pdbqt
data/3W/3W7R-DDQ/3W7R-DDQ_decoy_scores.csv
3WGM-GTP
data/3W/3WGM-GTP/3WGM-GTP_ligand.pdbqt
data/3W/3WGM-GTP/3WGM-GTP_target.pdbqt
data/3W/3WGM-GTP/3WGM-GTP_decoys.pdbqt
data/3W/3WGM-GTP/3WGM-GTP_decoy_scores.csv
3W2U-FMN
data/3W/3W2U-FMN/3W2U-FMN_ligand.pdbqt
data/3W/3W2U-FMN/3W2U-FMN_target.pdbqt
data/3W/3W2U-FMN/3W2U-FMN_decoys.pdbqt
data/3W/3W2U-FMN/3W2U-FMN_decoy_scores.csv