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
⌀
4WP9-ZDA
data/4W/4WP9-ZDA/4WP9-ZDA_ligand.pdbqt
data/4W/4WP9-ZDA/4WP9-ZDA_target.pdbqt
data/4W/4WP9-ZDA/4WP9-ZDA_decoys.pdbqt
data/4W/4WP9-ZDA/4WP9-ZDA_decoy_scores.csv
4WCF-3KN
data/4W/4WCF-3KN/4WCF-3KN_ligand.pdbqt
data/4W/4WCF-3KN/4WCF-3KN_target.pdbqt
data/4W/4WCF-3KN/4WCF-3KN_decoys.pdbqt
data/4W/4WCF-3KN/4WCF-3KN_decoy_scores.csv
4WWL-MTN
data/4W/4WWL-MTN/4WWL-MTN_ligand.pdbqt
data/4W/4WWL-MTN/4WWL-MTN_target.pdbqt
data/4W/4WWL-MTN/4WWL-MTN_decoys.pdbqt
data/4W/4WWL-MTN/4WWL-MTN_decoy_scores.csv
4WH2-ADP
data/4W/4WH2-ADP/4WH2-ADP_ligand.pdbqt
data/4W/4WH2-ADP/4WH2-ADP_target.pdbqt
data/4W/4WH2-ADP/4WH2-ADP_decoys.pdbqt
data/4W/4WH2-ADP/4WH2-ADP_decoy_scores.csv
4WYP-AMP
data/4W/4WYP-AMP/4WYP-AMP_ligand.pdbqt
data/4W/4WYP-AMP/4WYP-AMP_target.pdbqt
data/4W/4WYP-AMP/4WYP-AMP_decoys.pdbqt
data/4W/4WYP-AMP/4WYP-AMP_decoy_scores.csv
4WZA-ACP
data/4W/4WZA-ACP/4WZA-ACP_ligand.pdbqt
data/4W/4WZA-ACP/4WZA-ACP_target.pdbqt
data/4W/4WZA-ACP/4WZA-ACP_decoys.pdbqt
data/4W/4WZA-ACP/4WZA-ACP_decoy_scores.csv
4WG0-CHD
data/4W/4WG0-CHD/4WG0-CHD_ligand.pdbqt
data/4W/4WG0-CHD/4WG0-CHD_target.pdbqt
data/4W/4WG0-CHD/4WG0-CHD_decoys.pdbqt
data/4W/4WG0-CHD/4WG0-CHD_decoy_scores.csv
4WX1-UDP
data/4W/4WX1-UDP/4WX1-UDP_ligand.pdbqt
data/4W/4WX1-UDP/4WX1-UDP_target.pdbqt
data/4W/4WX1-UDP/4WX1-UDP_decoys.pdbqt
data/4W/4WX1-UDP/4WX1-UDP_decoy_scores.csv
4WL4-FC5
data/4W/4WL4-FC5/4WL4-FC5_ligand.pdbqt
data/4W/4WL4-FC5/4WL4-FC5_target.pdbqt
data/4W/4WL4-FC5/4WL4-FC5_decoys.pdbqt
data/4W/4WL4-FC5/4WL4-FC5_decoy_scores.csv
4WXF-PLG
data/4W/4WXF-PLG/4WXF-PLG_ligand.pdbqt
data/4W/4WXF-PLG/4WXF-PLG_target.pdbqt
data/4W/4WXF-PLG/4WXF-PLG_decoys.pdbqt
data/4W/4WXF-PLG/4WXF-PLG_decoy_scores.csv
4W9F-3JU
data/4W/4W9F-3JU/4W9F-3JU_ligand.pdbqt
data/4W/4W9F-3JU/4W9F-3JU_target.pdbqt
null
null
4WZC-1UC
data/4W/4WZC-1UC/4WZC-1UC_ligand.pdbqt
data/4W/4WZC-1UC/4WZC-1UC_target.pdbqt
data/4W/4WZC-1UC/4WZC-1UC_decoys.pdbqt
data/4W/4WZC-1UC/4WZC-1UC_decoy_scores.csv
4W6E-3J5
data/4W/4W6E-3J5/4W6E-3J5_ligand.pdbqt
data/4W/4W6E-3J5/4W6E-3J5_target.pdbqt
data/4W/4W6E-3J5/4W6E-3J5_decoys.pdbqt
data/4W/4W6E-3J5/4W6E-3J5_decoy_scores.csv
4WUN-66T
data/4W/4WUN-66T/4WUN-66T_ligand.pdbqt
data/4W/4WUN-66T/4WUN-66T_target.pdbqt
data/4W/4WUN-66T/4WUN-66T_decoys.pdbqt
data/4W/4WUN-66T/4WUN-66T_decoy_scores.csv
4WDX-WDX
data/4W/4WDX-WDX/4WDX-WDX_ligand.pdbqt
data/4W/4WDX-WDX/4WDX-WDX_target.pdbqt
data/4W/4WDX-WDX/4WDX-WDX_decoys.pdbqt
data/4W/4WDX-WDX/4WDX-WDX_decoy_scores.csv
4WHS-MUC
data/4W/4WHS-MUC/4WHS-MUC_ligand.pdbqt
data/4W/4WHS-MUC/4WHS-MUC_target.pdbqt
data/4W/4WHS-MUC/4WHS-MUC_decoys.pdbqt
data/4W/4WHS-MUC/4WHS-MUC_decoy_scores.csv
4WS4-5NU
data/4W/4WS4-5NU/4WS4-5NU_ligand.pdbqt
data/4W/4WS4-5NU/4WS4-5NU_target.pdbqt
data/4W/4WS4-5NU/4WS4-5NU_decoys.pdbqt
data/4W/4WS4-5NU/4WS4-5NU_decoy_scores.csv
4WL8-GNP
data/4W/4WL8-GNP/4WL8-GNP_ligand.pdbqt
data/4W/4WL8-GNP/4WL8-GNP_target.pdbqt
data/4W/4WL8-GNP/4WL8-GNP_decoys.pdbqt
data/4W/4WL8-GNP/4WL8-GNP_decoy_scores.csv
4WMC-NXL
data/4W/4WMC-NXL/4WMC-NXL_ligand.pdbqt
data/4W/4WMC-NXL/4WMC-NXL_target.pdbqt
data/4W/4WMC-NXL/4WMC-NXL_decoys.pdbqt
data/4W/4WMC-NXL/4WMC-NXL_decoy_scores.csv
4WOR-THP
data/4W/4WOR-THP/4WOR-THP_ligand.pdbqt
data/4W/4WOR-THP/4WOR-THP_target.pdbqt
data/4W/4WOR-THP/4WOR-THP_decoys.pdbqt
data/4W/4WOR-THP/4WOR-THP_decoy_scores.csv
4WM8-DKA
data/4W/4WM8-DKA/4WM8-DKA_ligand.pdbqt
data/4W/4WM8-DKA/4WM8-DKA_target.pdbqt
data/4W/4WM8-DKA/4WM8-DKA_decoys.pdbqt
data/4W/4WM8-DKA/4WM8-DKA_decoy_scores.csv
4WES-HCA
data/4W/4WES-HCA/4WES-HCA_ligand.pdbqt
data/4W/4WES-HCA/4WES-HCA_target.pdbqt
null
null
4WMZ-TPF
data/4W/4WMZ-TPF/4WMZ-TPF_ligand.pdbqt
data/4W/4WMZ-TPF/4WMZ-TPF_target.pdbqt
data/4W/4WMZ-TPF/4WMZ-TPF_decoys.pdbqt
data/4W/4WMZ-TPF/4WMZ-TPF_decoy_scores.csv
4WTV-ATP
data/4W/4WTV-ATP/4WTV-ATP_ligand.pdbqt
data/4W/4WTV-ATP/4WTV-ATP_target.pdbqt
data/4W/4WTV-ATP/4WTV-ATP_decoys.pdbqt
data/4W/4WTV-ATP/4WTV-ATP_decoy_scores.csv
4WLJ-IK2
data/4W/4WLJ-IK2/4WLJ-IK2_ligand.pdbqt
data/4W/4WLJ-IK2/4WLJ-IK2_target.pdbqt
data/4W/4WLJ-IK2/4WLJ-IK2_decoys.pdbqt
data/4W/4WLJ-IK2/4WLJ-IK2_decoy_scores.csv
4WF5-WF4
data/4W/4WF5-WF4/4WF5-WF4_ligand.pdbqt
data/4W/4WF5-WF4/4WF5-WF4_target.pdbqt
data/4W/4WF5-WF4/4WF5-WF4_decoys.pdbqt
data/4W/4WF5-WF4/4WF5-WF4_decoy_scores.csv
4WWO-3VD
data/4W/4WWO-3VD/4WWO-3VD_ligand.pdbqt
data/4W/4WWO-3VD/4WWO-3VD_target.pdbqt
data/4W/4WWO-3VD/4WWO-3VD_decoys.pdbqt
data/4W/4WWO-3VD/4WWO-3VD_decoy_scores.csv
4WDA-2AM
data/4W/4WDA-2AM/4WDA-2AM_ligand.pdbqt
data/4W/4WDA-2AM/4WDA-2AM_target.pdbqt
data/4W/4WDA-2AM/4WDA-2AM_decoys.pdbqt
data/4W/4WDA-2AM/4WDA-2AM_decoy_scores.csv
4WSJ-3U3
data/4W/4WSJ-3U3/4WSJ-3U3_ligand.pdbqt
data/4W/4WSJ-3U3/4WSJ-3U3_target.pdbqt
data/4W/4WSJ-3U3/4WSJ-3U3_decoys.pdbqt
data/4W/4WSJ-3U3/4WSJ-3U3_decoy_scores.csv
4W4V-3H8
data/4W/4W4V-3H8/4W4V-3H8_ligand.pdbqt
data/4W/4W4V-3H8/4W4V-3H8_target.pdbqt
data/4W/4W4V-3H8/4W4V-3H8_decoys.pdbqt
data/4W/4W4V-3H8/4W4V-3H8_decoy_scores.csv
4WSQ-KSA
data/4W/4WSQ-KSA/4WSQ-KSA_ligand.pdbqt
data/4W/4WSQ-KSA/4WSQ-KSA_target.pdbqt
data/4W/4WSQ-KSA/4WSQ-KSA_decoys.pdbqt
data/4W/4WSQ-KSA/4WSQ-KSA_decoy_scores.csv
4WM9-NXL
data/4W/4WM9-NXL/4WM9-NXL_ligand.pdbqt
data/4W/4WM9-NXL/4WM9-NXL_target.pdbqt
data/4W/4WM9-NXL/4WM9-NXL_decoys.pdbqt
data/4W/4WM9-NXL/4WM9-NXL_decoy_scores.csv
4WM7-W11
data/4W/4WM7-W11/4WM7-W11_ligand.pdbqt
data/4W/4WM7-W11/4WM7-W11_target.pdbqt
data/4W/4WM7-W11/4WM7-W11_decoys.pdbqt
data/4W/4WM7-W11/4WM7-W11_decoy_scores.csv
4WET-WEF
data/4W/4WET-WEF/4WET-WEF_ligand.pdbqt
data/4W/4WET-WEF/4WET-WEF_target.pdbqt
data/4W/4WET-WEF/4WET-WEF_decoys.pdbqt
data/4W/4WET-WEF/4WET-WEF_decoy_scores.csv
4WQ2-3SU
data/4W/4WQ2-3SU/4WQ2-3SU_ligand.pdbqt
data/4W/4WQ2-3SU/4WQ2-3SU_target.pdbqt
data/4W/4WQ2-3SU/4WQ2-3SU_decoys.pdbqt
data/4W/4WQ2-3SU/4WQ2-3SU_decoy_scores.csv
4WUK-NHE
data/4W/4WUK-NHE/4WUK-NHE_ligand.pdbqt
data/4W/4WUK-NHE/4WUK-NHE_target.pdbqt
data/4W/4WUK-NHE/4WUK-NHE_decoys.pdbqt
data/4W/4WUK-NHE/4WUK-NHE_decoy_scores.csv
4WOL-OLC
data/4W/4WOL-OLC/4WOL-OLC_ligand.pdbqt
data/4W/4WOL-OLC/4WOL-OLC_target.pdbqt
data/4W/4WOL-OLC/4WOL-OLC_decoys.pdbqt
data/4W/4WOL-OLC/4WOL-OLC_decoy_scores.csv
4WHQ-3N9
data/4W/4WHQ-3N9/4WHQ-3N9_ligand.pdbqt
data/4W/4WHQ-3N9/4WHQ-3N9_target.pdbqt
data/4W/4WHQ-3N9/4WHQ-3N9_decoys.pdbqt
data/4W/4WHQ-3N9/4WHQ-3N9_decoy_scores.csv
4WP8-ZDA
data/4W/4WP8-ZDA/4WP8-ZDA_ligand.pdbqt
data/4W/4WP8-ZDA/4WP8-ZDA_target.pdbqt
data/4W/4WP8-ZDA/4WP8-ZDA_decoys.pdbqt
data/4W/4WP8-ZDA/4WP8-ZDA_decoy_scores.csv
4WUO-NAD
data/4W/4WUO-NAD/4WUO-NAD_ligand.pdbqt
data/4W/4WUO-NAD/4WUO-NAD_target.pdbqt
data/4W/4WUO-NAD/4WUO-NAD_decoys.pdbqt
data/4W/4WUO-NAD/4WUO-NAD_decoy_scores.csv
4WUB-ANP
data/4W/4WUB-ANP/4WUB-ANP_ligand.pdbqt
data/4W/4WUB-ANP/4WUB-ANP_target.pdbqt
data/4W/4WUB-ANP/4WUB-ANP_decoys.pdbqt
data/4W/4WUB-ANP/4WUB-ANP_decoy_scores.csv
4W59-3GZ
data/4W/4W59-3GZ/4W59-3GZ_ligand.pdbqt
data/4W/4W59-3GZ/4W59-3GZ_target.pdbqt
data/4W/4W59-3GZ/4W59-3GZ_decoys.pdbqt
data/4W/4W59-3GZ/4W59-3GZ_decoy_scores.csv
4WSK-3U2
data/4W/4WSK-3U2/4WSK-3U2_ligand.pdbqt
data/4W/4WSK-3U2/4WSK-3U2_target.pdbqt
data/4W/4WSK-3U2/4WSK-3U2_decoys.pdbqt
data/4W/4WSK-3U2/4WSK-3U2_decoy_scores.csv
4WE1-3LQ
data/4W/4WE1-3LQ/4WE1-3LQ_ligand.pdbqt
data/4W/4WE1-3LQ/4WE1-3LQ_target.pdbqt
data/4W/4WE1-3LQ/4WE1-3LQ_decoys.pdbqt
data/4W/4WE1-3LQ/4WE1-3LQ_decoy_scores.csv
4WPU-GDP
data/4W/4WPU-GDP/4WPU-GDP_ligand.pdbqt
data/4W/4WPU-GDP/4WPU-GDP_target.pdbqt
data/4W/4WPU-GDP/4WPU-GDP_decoys.pdbqt
data/4W/4WPU-GDP/4WPU-GDP_decoy_scores.csv
4WKP-3QA
data/4W/4WKP-3QA/4WKP-3QA_ligand.pdbqt
data/4W/4WKP-3QA/4WKP-3QA_target.pdbqt
data/4W/4WKP-3QA/4WKP-3QA_decoys.pdbqt
data/4W/4WKP-3QA/4WKP-3QA_decoy_scores.csv
4WLK-3QL
data/4W/4WLK-3QL/4WLK-3QL_ligand.pdbqt
data/4W/4WLK-3QL/4WLK-3QL_target.pdbqt
data/4W/4WLK-3QL/4WLK-3QL_decoys.pdbqt
data/4W/4WLK-3QL/4WLK-3QL_decoy_scores.csv
4WU3-4IP
data/4W/4WU3-4IP/4WU3-4IP_ligand.pdbqt
data/4W/4WU3-4IP/4WU3-4IP_target.pdbqt
data/4W/4WU3-4IP/4WU3-4IP_decoys.pdbqt
data/4W/4WU3-4IP/4WU3-4IP_decoy_scores.csv
4WY0-R5P
data/4W/4WY0-R5P/4WY0-R5P_ligand.pdbqt
data/4W/4WY0-R5P/4WY0-R5P_target.pdbqt
data/4W/4WY0-R5P/4WY0-R5P_decoys.pdbqt
data/4W/4WY0-R5P/4WY0-R5P_decoy_scores.csv
4W8O-P33
data/4W/4W8O-P33/4W8O-P33_ligand.pdbqt
data/4W/4W8O-P33/4W8O-P33_target.pdbqt
data/4W/4W8O-P33/4W8O-P33_decoys.pdbqt
data/4W/4W8O-P33/4W8O-P33_decoy_scores.csv
4WSO-NAD
data/4W/4WSO-NAD/4WSO-NAD_ligand.pdbqt
data/4W/4WSO-NAD/4WSO-NAD_target.pdbqt
data/4W/4WSO-NAD/4WSO-NAD_decoys.pdbqt
data/4W/4WSO-NAD/4WSO-NAD_decoy_scores.csv
4WZA-ADP
data/4W/4WZA-ADP/4WZA-ADP_ligand.pdbqt
data/4W/4WZA-ADP/4WZA-ADP_target.pdbqt
data/4W/4WZA-ADP/4WZA-ADP_decoys.pdbqt
data/4W/4WZA-ADP/4WZA-ADP_decoy_scores.csv
4WEY-EG6
data/4W/4WEY-EG6/4WEY-EG6_ligand.pdbqt
data/4W/4WEY-EG6/4WEY-EG6_target.pdbqt
data/4W/4WEY-EG6/4WEY-EG6_decoys.pdbqt
data/4W/4WEY-EG6/4WEY-EG6_decoy_scores.csv
4WUY-3UJ
data/4W/4WUY-3UJ/4WUY-3UJ_ligand.pdbqt
data/4W/4WUY-3UJ/4WUY-3UJ_target.pdbqt
data/4W/4WUY-3UJ/4WUY-3UJ_decoys.pdbqt
data/4W/4WUY-3UJ/4WUY-3UJ_decoy_scores.csv
4WWP-3VE
data/4W/4WWP-3VE/4WWP-3VE_ligand.pdbqt
data/4W/4WWP-3VE/4WWP-3VE_target.pdbqt
data/4W/4WWP-3VE/4WWP-3VE_decoys.pdbqt
data/4W/4WWP-3VE/4WWP-3VE_decoy_scores.csv
4WY3-3X5
data/4W/4WY3-3X5/4WY3-3X5_ligand.pdbqt
data/4W/4WY3-3X5/4WY3-3X5_target.pdbqt
data/4W/4WY3-3X5/4WY3-3X5_decoys.pdbqt
data/4W/4WY3-3X5/4WY3-3X5_decoy_scores.csv
4WIV-3P2
data/4W/4WIV-3P2/4WIV-3P2_ligand.pdbqt
data/4W/4WIV-3P2/4WIV-3P2_target.pdbqt
data/4W/4WIV-3P2/4WIV-3P2_decoys.pdbqt
data/4W/4WIV-3P2/4WIV-3P2_decoy_scores.csv
4WLV-NAD
data/4W/4WLV-NAD/4WLV-NAD_ligand.pdbqt
data/4W/4WLV-NAD/4WLV-NAD_target.pdbqt
data/4W/4WLV-NAD/4WLV-NAD_decoys.pdbqt
data/4W/4WLV-NAD/4WLV-NAD_decoy_scores.csv
4WNK-453
data/4W/4WNK-453/4WNK-453_ligand.pdbqt
data/4W/4WNK-453/4WNK-453_target.pdbqt
data/4W/4WNK-453/4WNK-453_decoys.pdbqt
data/4W/4WNK-453/4WNK-453_decoy_scores.csv
4WLU-NAD
data/4W/4WLU-NAD/4WLU-NAD_ligand.pdbqt
data/4W/4WLU-NAD/4WLU-NAD_target.pdbqt
data/4W/4WLU-NAD/4WLU-NAD_decoys.pdbqt
data/4W/4WLU-NAD/4WLU-NAD_decoy_scores.csv
4WRH-YY2
data/4W/4WRH-YY2/4WRH-YY2_ligand.pdbqt
data/4W/4WRH-YY2/4WRH-YY2_target.pdbqt
data/4W/4WRH-YY2/4WRH-YY2_decoys.pdbqt
data/4W/4WRH-YY2/4WRH-YY2_decoy_scores.csv
4W4Y-3HQ
data/4W/4W4Y-3HQ/4W4Y-3HQ_ligand.pdbqt
data/4W/4W4Y-3HQ/4W4Y-3HQ_target.pdbqt
data/4W/4W4Y-3HQ/4W4Y-3HQ_decoys.pdbqt
data/4W/4W4Y-3HQ/4W4Y-3HQ_decoy_scores.csv
4WOE-ADP
data/4W/4WOE-ADP/4WOE-ADP_ligand.pdbqt
data/4W/4WOE-ADP/4WOE-ADP_target.pdbqt
data/4W/4WOE-ADP/4WOE-ADP_decoys.pdbqt
data/4W/4WOE-ADP/4WOE-ADP_decoy_scores.csv
4WUD-ANP
data/4W/4WUD-ANP/4WUD-ANP_ligand.pdbqt
data/4W/4WUD-ANP/4WUD-ANP_target.pdbqt
data/4W/4WUD-ANP/4WUD-ANP_decoys.pdbqt
data/4W/4WUD-ANP/4WUD-ANP_decoy_scores.csv
4WPT-PEP
data/4W/4WPT-PEP/4WPT-PEP_ligand.pdbqt
data/4W/4WPT-PEP/4WPT-PEP_target.pdbqt
data/4W/4WPT-PEP/4WPT-PEP_decoys.pdbqt
data/4W/4WPT-PEP/4WPT-PEP_decoy_scores.csv
4WUJ-FMN
data/4W/4WUJ-FMN/4WUJ-FMN_ligand.pdbqt
data/4W/4WUJ-FMN/4WUJ-FMN_target.pdbqt
data/4W/4WUJ-FMN/4WUJ-FMN_decoys.pdbqt
data/4W/4WUJ-FMN/4WUJ-FMN_decoy_scores.csv
4W9L-3JJ
data/4W/4W9L-3JJ/4W9L-3JJ_ligand.pdbqt
data/4W/4W9L-3JJ/4W9L-3JJ_target.pdbqt
null
null
4WCN-3KS
data/4W/4WCN-3KS/4WCN-3KS_ligand.pdbqt
data/4W/4WCN-3KS/4WCN-3KS_target.pdbqt
data/4W/4WCN-3KS/4WCN-3KS_decoys.pdbqt
data/4W/4WCN-3KS/4WCN-3KS_decoy_scores.csv
4WN5-P6G
data/4W/4WN5-P6G/4WN5-P6G_ligand.pdbqt
data/4W/4WN5-P6G/4WN5-P6G_target.pdbqt
data/4W/4WN5-P6G/4WN5-P6G_decoys.pdbqt
data/4W/4WN5-P6G/4WN5-P6G_decoy_scores.csv
4WEV-SUZ
data/4W/4WEV-SUZ/4WEV-SUZ_ligand.pdbqt
data/4W/4WEV-SUZ/4WEV-SUZ_target.pdbqt
data/4W/4WEV-SUZ/4WEV-SUZ_decoys.pdbqt
data/4W/4WEV-SUZ/4WEV-SUZ_decoy_scores.csv
4WCK-API
data/4W/4WCK-API/4WCK-API_ligand.pdbqt
data/4W/4WCK-API/4WCK-API_target.pdbqt
data/4W/4WCK-API/4WCK-API_decoys.pdbqt
data/4W/4WCK-API/4WCK-API_decoy_scores.csv
4WOZ-MN9
data/4W/4WOZ-MN9/4WOZ-MN9_ligand.pdbqt
data/4W/4WOZ-MN9/4WOZ-MN9_target.pdbqt
data/4W/4WOZ-MN9/4WOZ-MN9_decoys.pdbqt
data/4W/4WOZ-MN9/4WOZ-MN9_decoy_scores.csv
4WZV-E40
data/4W/4WZV-E40/4WZV-E40_ligand.pdbqt
data/4W/4WZV-E40/4WZV-E40_target.pdbqt
data/4W/4WZV-E40/4WZV-E40_decoys.pdbqt
data/4W/4WZV-E40/4WZV-E40_decoy_scores.csv
4W8D-3JA
data/4W/4W8D-3JA/4W8D-3JA_ligand.pdbqt
data/4W/4W8D-3JA/4W8D-3JA_target.pdbqt
data/4W/4W8D-3JA/4W8D-3JA_decoys.pdbqt
data/4W/4W8D-3JA/4W8D-3JA_decoy_scores.csv
4WT7-X9X
data/4W/4WT7-X9X/4WT7-X9X_ligand.pdbqt
data/4W/4WT7-X9X/4WT7-X9X_target.pdbqt
data/4W/4WT7-X9X/4WT7-X9X_decoys.pdbqt
data/4W/4WT7-X9X/4WT7-X9X_decoy_scores.csv
4WP7-3SR
data/4W/4WP7-3SR/4WP7-3SR_ligand.pdbqt
data/4W/4WP7-3SR/4WP7-3SR_target.pdbqt
null
null
4WA9-AXI
data/4W/4WA9-AXI/4WA9-AXI_ligand.pdbqt
data/4W/4WA9-AXI/4WA9-AXI_target.pdbqt
data/4W/4WA9-AXI/4WA9-AXI_decoys.pdbqt
data/4W/4WA9-AXI/4WA9-AXI_decoy_scores.csv
4WHG-3NB
data/4W/4WHG-3NB/4WHG-3NB_ligand.pdbqt
data/4W/4WHG-3NB/4WHG-3NB_target.pdbqt
data/4W/4WHG-3NB/4WHG-3NB_decoys.pdbqt
data/4W/4WHG-3NB/4WHG-3NB_decoy_scores.csv
4WUW-INS
data/4W/4WUW-INS/4WUW-INS_ligand.pdbqt
data/4W/4WUW-INS/4WUW-INS_target.pdbqt
data/4W/4WUW-INS/4WUW-INS_decoys.pdbqt
data/4W/4WUW-INS/4WUW-INS_decoy_scores.csv
4WB6-ATP
data/4W/4WB6-ATP/4WB6-ATP_ligand.pdbqt
data/4W/4WB6-ATP/4WB6-ATP_target.pdbqt
data/4W/4WB6-ATP/4WB6-ATP_decoys.pdbqt
data/4W/4WB6-ATP/4WB6-ATP_decoy_scores.csv
4WTU-3UT
data/4W/4WTU-3UT/4WTU-3UT_ligand.pdbqt
data/4W/4WTU-3UT/4WTU-3UT_target.pdbqt
data/4W/4WTU-3UT/4WTU-3UT_decoys.pdbqt
data/4W/4WTU-3UT/4WTU-3UT_decoy_scores.csv
4WAF-3K6
data/4W/4WAF-3K6/4WAF-3K6_ligand.pdbqt
data/4W/4WAF-3K6/4WAF-3K6_target.pdbqt
data/4W/4WAF-3K6/4WAF-3K6_decoys.pdbqt
data/4W/4WAF-3K6/4WAF-3K6_decoy_scores.csv
4WOH-4NP
data/4W/4WOH-4NP/4WOH-4NP_ligand.pdbqt
data/4W/4WOH-4NP/4WOH-4NP_target.pdbqt
data/4W/4WOH-4NP/4WOH-4NP_decoys.pdbqt
data/4W/4WOH-4NP/4WOH-4NP_decoy_scores.csv
4WUA-3UL
data/4W/4WUA-3UL/4WUA-3UL_ligand.pdbqt
data/4W/4WUA-3UL/4WUA-3UL_target.pdbqt
data/4W/4WUA-3UL/4WUA-3UL_decoys.pdbqt
data/4W/4WUA-3UL/4WUA-3UL_decoy_scores.csv
4WCL-API
data/4W/4WCL-API/4WCL-API_ligand.pdbqt
data/4W/4WCL-API/4WCL-API_target.pdbqt
data/4W/4WCL-API/4WCL-API_decoys.pdbqt
data/4W/4WCL-API/4WCL-API_decoy_scores.csv
4WXG-2BO
data/4W/4WXG-2BO/4WXG-2BO_ligand.pdbqt
data/4W/4WXG-2BO/4WXG-2BO_target.pdbqt
data/4W/4WXG-2BO/4WXG-2BO_decoys.pdbqt
data/4W/4WXG-2BO/4WXG-2BO_decoy_scores.csv
4WHZ-3NL
data/4W/4WHZ-3NL/4WHZ-3NL_ligand.pdbqt
data/4W/4WHZ-3NL/4WHZ-3NL_target.pdbqt
data/4W/4WHZ-3NL/4WHZ-3NL_decoys.pdbqt
data/4W/4WHZ-3NL/4WHZ-3NL_decoy_scores.csv
4WN9-HCA
data/4W/4WN9-HCA/4WN9-HCA_ligand.pdbqt
data/4W/4WN9-HCA/4WN9-HCA_target.pdbqt
null
null
4WH5-3QB
data/4W/4WH5-3QB/4WH5-3QB_ligand.pdbqt
data/4W/4WH5-3QB/4WH5-3QB_target.pdbqt
data/4W/4WH5-3QB/4WH5-3QB_decoys.pdbqt
data/4W/4WH5-3QB/4WH5-3QB_decoy_scores.csv
4W9X-3JW
data/4W/4W9X-3JW/4W9X-3JW_ligand.pdbqt
data/4W/4W9X-3JW/4W9X-3JW_target.pdbqt
data/4W/4W9X-3JW/4W9X-3JW_decoys.pdbqt
data/4W/4W9X-3JW/4W9X-3JW_decoy_scores.csv
4WMY-3S6
data/4W/4WMY-3S6/4WMY-3S6_ligand.pdbqt
data/4W/4WMY-3S6/4WMY-3S6_target.pdbqt
data/4W/4WMY-3S6/4WMY-3S6_decoys.pdbqt
data/4W/4WMY-3S6/4WMY-3S6_decoy_scores.csv
4WNI-NAD
data/4W/4WNI-NAD/4WNI-NAD_ligand.pdbqt
data/4W/4WNI-NAD/4WNI-NAD_target.pdbqt
data/4W/4WNI-NAD/4WNI-NAD_decoys.pdbqt
data/4W/4WNI-NAD/4WNI-NAD_decoy_scores.csv
4WDF-A2P
data/4W/4WDF-A2P/4WDF-A2P_ligand.pdbqt
data/4W/4WDF-A2P/4WDF-A2P_target.pdbqt
data/4W/4WDF-A2P/4WDF-A2P_decoys.pdbqt
data/4W/4WDF-A2P/4WDF-A2P_decoy_scores.csv
4WLC-BGC
data/4W/4WLC-BGC/4WLC-BGC_ligand.pdbqt
data/4W/4WLC-BGC/4WLC-BGC_target.pdbqt
data/4W/4WLC-BGC/4WLC-BGC_decoys.pdbqt
data/4W/4WLC-BGC/4WLC-BGC_decoy_scores.csv
4WF0-FMN
data/4W/4WF0-FMN/4WF0-FMN_ligand.pdbqt
data/4W/4WF0-FMN/4WF0-FMN_target.pdbqt
data/4W/4WF0-FMN/4WF0-FMN_decoys.pdbqt
data/4W/4WF0-FMN/4WF0-FMN_decoy_scores.csv
4WUP-3UF
data/4W/4WUP-3UF/4WUP-3UF_ligand.pdbqt
data/4W/4WUP-3UF/4WUP-3UF_target.pdbqt
data/4W/4WUP-3UF/4WUP-3UF_decoys.pdbqt
data/4W/4WUP-3UF/4WUP-3UF_decoy_scores.csv
4W9N-TCL
data/4W/4W9N-TCL/4W9N-TCL_ligand.pdbqt
data/4W/4W9N-TCL/4W9N-TCL_target.pdbqt
data/4W/4W9N-TCL/4W9N-TCL_decoys.pdbqt
data/4W/4W9N-TCL/4W9N-TCL_decoy_scores.csv
4WKB-TDI
data/4W/4WKB-TDI/4WKB-TDI_ligand.pdbqt
data/4W/4WKB-TDI/4WKB-TDI_target.pdbqt
data/4W/4WKB-TDI/4WKB-TDI_decoys.pdbqt
data/4W/4WKB-TDI/4WKB-TDI_decoy_scores.csv
4WBG-AZR
data/4W/4WBG-AZR/4WBG-AZR_ligand.pdbqt
data/4W/4WBG-AZR/4WBG-AZR_target.pdbqt
data/4W/4WBG-AZR/4WBG-AZR_decoys.pdbqt
data/4W/4WBG-AZR/4WBG-AZR_decoy_scores.csv
4WMR-865
data/4W/4WMR-865/4WMR-865_ligand.pdbqt
data/4W/4WMR-865/4WMR-865_target.pdbqt
data/4W/4WMR-865/4WMR-865_decoys.pdbqt
data/4W/4WMR-865/4WMR-865_decoy_scores.csv