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 ⌀ |
|---|---|---|---|---|
3QPE-D54 | data/3Q/3QPE-D54/3QPE-D54_ligand.pdbqt | data/3Q/3QPE-D54/3QPE-D54_target.pdbqt | data/3Q/3QPE-D54/3QPE-D54_decoys.pdbqt | data/3Q/3QPE-D54/3QPE-D54_decoy_scores.csv |
3Q32-J2I | data/3Q/3Q32-J2I/3Q32-J2I_ligand.pdbqt | data/3Q/3Q32-J2I/3Q32-J2I_target.pdbqt | data/3Q/3Q32-J2I/3Q32-J2I_decoys.pdbqt | data/3Q/3Q32-J2I/3Q32-J2I_decoy_scores.csv |
3QO3-ATP | data/3Q/3QO3-ATP/3QO3-ATP_ligand.pdbqt | data/3Q/3QO3-ATP/3QO3-ATP_target.pdbqt | data/3Q/3QO3-ATP/3QO3-ATP_decoys.pdbqt | data/3Q/3QO3-ATP/3QO3-ATP_decoy_scores.csv |
3QAP-RET | data/3Q/3QAP-RET/3QAP-RET_ligand.pdbqt | data/3Q/3QAP-RET/3QAP-RET_target.pdbqt | data/3Q/3QAP-RET/3QAP-RET_decoys.pdbqt | data/3Q/3QAP-RET/3QAP-RET_decoy_scores.csv |
3QPN-PFK | data/3Q/3QPN-PFK/3QPN-PFK_ligand.pdbqt | data/3Q/3QPN-PFK/3QPN-PFK_target.pdbqt | data/3Q/3QPN-PFK/3QPN-PFK_decoys.pdbqt | data/3Q/3QPN-PFK/3QPN-PFK_decoy_scores.csv |
3QE4-4CF | data/3Q/3QE4-4CF/3QE4-4CF_ligand.pdbqt | data/3Q/3QE4-4CF/3QE4-4CF_target.pdbqt | data/3Q/3QE4-4CF/3QE4-4CF_decoys.pdbqt | data/3Q/3QE4-4CF/3QE4-4CF_decoy_scores.csv |
3Q81-IM2 | data/3Q/3Q81-IM2/3Q81-IM2_ligand.pdbqt | data/3Q/3Q81-IM2/3Q81-IM2_target.pdbqt | data/3Q/3Q81-IM2/3Q81-IM2_decoys.pdbqt | data/3Q/3Q81-IM2/3Q81-IM2_decoy_scores.csv |
3QTV-06P | data/3Q/3QTV-06P/3QTV-06P_ligand.pdbqt | data/3Q/3QTV-06P/3QTV-06P_target.pdbqt | data/3Q/3QTV-06P/3QTV-06P_decoys.pdbqt | data/3Q/3QTV-06P/3QTV-06P_decoy_scores.csv |
3QK1-BEN | data/3Q/3QK1-BEN/3QK1-BEN_ligand.pdbqt | data/3Q/3QK1-BEN/3QK1-BEN_target.pdbqt | data/3Q/3QK1-BEN/3QK1-BEN_decoys.pdbqt | data/3Q/3QK1-BEN/3QK1-BEN_decoy_scores.csv |
3QW0-ME9 | data/3Q/3QW0-ME9/3QW0-ME9_ligand.pdbqt | data/3Q/3QW0-ME9/3QW0-ME9_target.pdbqt | data/3Q/3QW0-ME9/3QW0-ME9_decoys.pdbqt | data/3Q/3QW0-ME9/3QW0-ME9_decoy_scores.csv |
3QVL-5HY | data/3Q/3QVL-5HY/3QVL-5HY_ligand.pdbqt | data/3Q/3QVL-5HY/3QVL-5HY_target.pdbqt | data/3Q/3QVL-5HY/3QVL-5HY_decoys.pdbqt | data/3Q/3QVL-5HY/3QVL-5HY_decoy_scores.csv |
3Q4Z-ANP | data/3Q/3Q4Z-ANP/3Q4Z-ANP_ligand.pdbqt | data/3Q/3Q4Z-ANP/3Q4Z-ANP_target.pdbqt | data/3Q/3Q4Z-ANP/3Q4Z-ANP_decoys.pdbqt | data/3Q/3Q4Z-ANP/3Q4Z-ANP_decoy_scores.csv |
3QO8-SSA | data/3Q/3QO8-SSA/3QO8-SSA_ligand.pdbqt | data/3Q/3QO8-SSA/3QO8-SSA_target.pdbqt | data/3Q/3QO8-SSA/3QO8-SSA_decoys.pdbqt | data/3Q/3QO8-SSA/3QO8-SSA_decoy_scores.csv |
3QSB-743 | data/3Q/3QSB-743/3QSB-743_ligand.pdbqt | data/3Q/3QSB-743/3QSB-743_target.pdbqt | data/3Q/3QSB-743/3QSB-743_decoys.pdbqt | data/3Q/3QSB-743/3QSB-743_decoy_scores.csv |
3QCS-3Q1 | data/3Q/3QCS-3Q1/3QCS-3Q1_ligand.pdbqt | data/3Q/3QCS-3Q1/3QCS-3Q1_target.pdbqt | data/3Q/3QCS-3Q1/3QCS-3Q1_decoys.pdbqt | data/3Q/3QCS-3Q1/3QCS-3Q1_decoy_scores.csv |
3QFZ-NOJ | data/3Q/3QFZ-NOJ/3QFZ-NOJ_ligand.pdbqt | data/3Q/3QFZ-NOJ/3QFZ-NOJ_target.pdbqt | data/3Q/3QFZ-NOJ/3QFZ-NOJ_decoys.pdbqt | data/3Q/3QFZ-NOJ/3QFZ-NOJ_decoy_scores.csv |
3Q43-D66 | data/3Q/3Q43-D66/3Q43-D66_ligand.pdbqt | data/3Q/3Q43-D66/3Q43-D66_target.pdbqt | data/3Q/3Q43-D66/3Q43-D66_decoys.pdbqt | data/3Q/3Q43-D66/3Q43-D66_decoy_scores.csv |
3QDD-94M | data/3Q/3QDD-94M/3QDD-94M_ligand.pdbqt | data/3Q/3QDD-94M/3QDD-94M_target.pdbqt | data/3Q/3QDD-94M/3QDD-94M_decoys.pdbqt | data/3Q/3QDD-94M/3QDD-94M_decoy_scores.csv |
3QMT-BMP | data/3Q/3QMT-BMP/3QMT-BMP_ligand.pdbqt | data/3Q/3QMT-BMP/3QMT-BMP_target.pdbqt | data/3Q/3QMT-BMP/3QMT-BMP_decoys.pdbqt | data/3Q/3QMT-BMP/3QMT-BMP_decoy_scores.csv |
3QCM-NXW | data/3Q/3QCM-NXW/3QCM-NXW_ligand.pdbqt | data/3Q/3QCM-NXW/3QCM-NXW_target.pdbqt | data/3Q/3QCM-NXW/3QCM-NXW_decoys.pdbqt | data/3Q/3QCM-NXW/3QCM-NXW_decoy_scores.csv |
3Q1K-ADP | data/3Q/3Q1K-ADP/3Q1K-ADP_ligand.pdbqt | data/3Q/3Q1K-ADP/3Q1K-ADP_target.pdbqt | data/3Q/3Q1K-ADP/3Q1K-ADP_decoys.pdbqt | data/3Q/3Q1K-ADP/3Q1K-ADP_decoy_scores.csv |
3Q2Q-DMA | data/3Q/3Q2Q-DMA/3Q2Q-DMA_ligand.pdbqt | data/3Q/3Q2Q-DMA/3Q2Q-DMA_target.pdbqt | data/3Q/3Q2Q-DMA/3Q2Q-DMA_decoys.pdbqt | data/3Q/3Q2Q-DMA/3Q2Q-DMA_decoy_scores.csv |
3QQS-17C | data/3Q/3QQS-17C/3QQS-17C_ligand.pdbqt | data/3Q/3QQS-17C/3QQS-17C_target.pdbqt | data/3Q/3QQS-17C/3QQS-17C_decoys.pdbqt | data/3Q/3QQS-17C/3QQS-17C_decoy_scores.csv |
3QE5-GLC | data/3Q/3QE5-GLC/3QE5-GLC_ligand.pdbqt | data/3Q/3QE5-GLC/3QE5-GLC_target.pdbqt | data/3Q/3QE5-GLC/3QE5-GLC_decoys.pdbqt | data/3Q/3QE5-GLC/3QE5-GLC_decoy_scores.csv |
3QBG-BNG | data/3Q/3QBG-BNG/3QBG-BNG_ligand.pdbqt | data/3Q/3QBG-BNG/3QBG-BNG_target.pdbqt | data/3Q/3QBG-BNG/3QBG-BNG_decoys.pdbqt | data/3Q/3QBG-BNG/3QBG-BNG_decoy_scores.csv |
3Q71-AR6 | data/3Q/3Q71-AR6/3Q71-AR6_ligand.pdbqt | data/3Q/3Q71-AR6/3Q71-AR6_target.pdbqt | data/3Q/3Q71-AR6/3Q71-AR6_decoys.pdbqt | data/3Q/3Q71-AR6/3Q71-AR6_decoy_scores.csv |
3QOX-SAH | data/3Q/3QOX-SAH/3QOX-SAH_ligand.pdbqt | data/3Q/3QOX-SAH/3QOX-SAH_target.pdbqt | data/3Q/3QOX-SAH/3QOX-SAH_decoys.pdbqt | data/3Q/3QOX-SAH/3QOX-SAH_decoy_scores.csv |
3QYK-IE2 | data/3Q/3QYK-IE2/3QYK-IE2_ligand.pdbqt | data/3Q/3QYK-IE2/3QYK-IE2_target.pdbqt | data/3Q/3QYK-IE2/3QYK-IE2_decoys.pdbqt | data/3Q/3QYK-IE2/3QYK-IE2_decoy_scores.csv |
3Q4U-FLC | data/3Q/3Q4U-FLC/3Q4U-FLC_ligand.pdbqt | data/3Q/3Q4U-FLC/3Q4U-FLC_target.pdbqt | data/3Q/3Q4U-FLC/3Q4U-FLC_decoys.pdbqt | data/3Q/3Q4U-FLC/3Q4U-FLC_decoy_scores.csv |
3QCL-NXV | data/3Q/3QCL-NXV/3QCL-NXV_ligand.pdbqt | data/3Q/3QCL-NXV/3QCL-NXV_target.pdbqt | data/3Q/3QCL-NXV/3QCL-NXV_decoys.pdbqt | data/3Q/3QCL-NXV/3QCL-NXV_decoy_scores.csv |
3QUR-FM4 | data/3Q/3QUR-FM4/3QUR-FM4_ligand.pdbqt | data/3Q/3QUR-FM4/3QUR-FM4_target.pdbqt | data/3Q/3QUR-FM4/3QUR-FM4_decoys.pdbqt | data/3Q/3QUR-FM4/3QUR-FM4_decoy_scores.csv |
3Q5I-ANP | data/3Q/3Q5I-ANP/3Q5I-ANP_ligand.pdbqt | data/3Q/3Q5I-ANP/3Q5I-ANP_target.pdbqt | data/3Q/3Q5I-ANP/3Q5I-ANP_decoys.pdbqt | data/3Q/3Q5I-ANP/3Q5I-ANP_decoy_scores.csv |
3QT7-FM0 | data/3Q/3QT7-FM0/3QT7-FM0_ligand.pdbqt | data/3Q/3QT7-FM0/3QT7-FM0_target.pdbqt | data/3Q/3QT7-FM0/3QT7-FM0_decoys.pdbqt | data/3Q/3QT7-FM0/3QT7-FM0_decoy_scores.csv |
3QXS-ANP | data/3Q/3QXS-ANP/3QXS-ANP_ligand.pdbqt | data/3Q/3QXS-ANP/3QXS-ANP_target.pdbqt | data/3Q/3QXS-ANP/3QXS-ANP_decoys.pdbqt | data/3Q/3QXS-ANP/3QXS-ANP_decoy_scores.csv |
3QH2-3NM | data/3Q/3QH2-3NM/3QH2-3NM_ligand.pdbqt | data/3Q/3QH2-3NM/3QH2-3NM_target.pdbqt | data/3Q/3QH2-3NM/3QH2-3NM_decoys.pdbqt | data/3Q/3QH2-3NM/3QH2-3NM_decoy_scores.csv |
3QTI-3QT | data/3Q/3QTI-3QT/3QTI-3QT_ligand.pdbqt | data/3Q/3QTI-3QT/3QTI-3QT_target.pdbqt | data/3Q/3QTI-3QT/3QTI-3QT_decoys.pdbqt | data/3Q/3QTI-3QT/3QTI-3QT_decoy_scores.csv |
3QP2-HTF | data/3Q/3QP2-HTF/3QP2-HTF_ligand.pdbqt | data/3Q/3QP2-HTF/3QP2-HTF_target.pdbqt | data/3Q/3QP2-HTF/3QP2-HTF_decoys.pdbqt | data/3Q/3QP2-HTF/3QP2-HTF_decoy_scores.csv |
3QXO-X65 | data/3Q/3QXO-X65/3QXO-X65_ligand.pdbqt | data/3Q/3QXO-X65/3QXO-X65_target.pdbqt | data/3Q/3QXO-X65/3QXO-X65_decoys.pdbqt | data/3Q/3QXO-X65/3QXO-X65_decoy_scores.csv |
3Q7E-SAH | data/3Q/3Q7E-SAH/3Q7E-SAH_ligand.pdbqt | data/3Q/3Q7E-SAH/3Q7E-SAH_target.pdbqt | data/3Q/3Q7E-SAH/3Q7E-SAH_decoys.pdbqt | data/3Q/3Q7E-SAH/3Q7E-SAH_decoy_scores.csv |
3QL8-X01 | data/3Q/3QL8-X01/3QL8-X01_ligand.pdbqt | data/3Q/3QL8-X01/3QL8-X01_target.pdbqt | data/3Q/3QL8-X01/3QL8-X01_decoys.pdbqt | data/3Q/3QL8-X01/3QL8-X01_decoy_scores.csv |
3QXY-SAM | data/3Q/3QXY-SAM/3QXY-SAM_ligand.pdbqt | data/3Q/3QXY-SAM/3QXY-SAM_target.pdbqt | data/3Q/3QXY-SAM/3QXY-SAM_decoys.pdbqt | data/3Q/3QXY-SAM/3QXY-SAM_decoy_scores.csv |
3QBG-RET | data/3Q/3QBG-RET/3QBG-RET_ligand.pdbqt | data/3Q/3QBG-RET/3QBG-RET_target.pdbqt | data/3Q/3QBG-RET/3QBG-RET_decoys.pdbqt | data/3Q/3QBG-RET/3QBG-RET_decoy_scores.csv |
3QH5-NX6 | data/3Q/3QH5-NX6/3QH5-NX6_ligand.pdbqt | data/3Q/3QH5-NX6/3QH5-NX6_target.pdbqt | data/3Q/3QH5-NX6/3QH5-NX6_decoys.pdbqt | data/3Q/3QH5-NX6/3QH5-NX6_decoy_scores.csv |
3QBH-QBH | data/3Q/3QBH-QBH/3QBH-QBH_ligand.pdbqt | data/3Q/3QBH-QBH/3QBH-QBH_target.pdbqt | data/3Q/3QBH-QBH/3QBH-QBH_decoys.pdbqt | data/3Q/3QBH-QBH/3QBH-QBH_decoy_scores.csv |
3QJ9-QJ9 | data/3Q/3QJ9-QJ9/3QJ9-QJ9_ligand.pdbqt | data/3Q/3QJ9-QJ9/3QJ9-QJ9_target.pdbqt | data/3Q/3QJ9-QJ9/3QJ9-QJ9_decoys.pdbqt | data/3Q/3QJ9-QJ9/3QJ9-QJ9_decoy_scores.csv |
3Q2A-P6G | data/3Q/3Q2A-P6G/3Q2A-P6G_ligand.pdbqt | data/3Q/3Q2A-P6G/3Q2A-P6G_target.pdbqt | data/3Q/3Q2A-P6G/3Q2A-P6G_decoys.pdbqt | data/3Q/3Q2A-P6G/3Q2A-P6G_decoy_scores.csv |
3QPV-F6P | data/3Q/3QPV-F6P/3QPV-F6P_ligand.pdbqt | data/3Q/3QPV-F6P/3QPV-F6P_target.pdbqt | data/3Q/3QPV-F6P/3QPV-F6P_decoys.pdbqt | data/3Q/3QPV-F6P/3QPV-F6P_decoy_scores.csv |
3QTZ-X42 | data/3Q/3QTZ-X42/3QTZ-X42_ligand.pdbqt | data/3Q/3QTZ-X42/3QTZ-X42_target.pdbqt | data/3Q/3QTZ-X42/3QTZ-X42_decoys.pdbqt | data/3Q/3QTZ-X42/3QTZ-X42_decoy_scores.csv |
3QCZ-ANP | data/3Q/3QCZ-ANP/3QCZ-ANP_ligand.pdbqt | data/3Q/3QCZ-ANP/3QCZ-ANP_target.pdbqt | data/3Q/3QCZ-ANP/3QCZ-ANP_decoys.pdbqt | data/3Q/3QCZ-ANP/3QCZ-ANP_decoy_scores.csv |
3QQG-X06 | data/3Q/3QQG-X06/3QQG-X06_ligand.pdbqt | data/3Q/3QQG-X06/3QQG-X06_target.pdbqt | data/3Q/3QQG-X06/3QQG-X06_decoys.pdbqt | data/3Q/3QQG-X06/3QQG-X06_decoy_scores.csv |
3QFF-ADP | data/3Q/3QFF-ADP/3QFF-ADP_ligand.pdbqt | data/3Q/3QFF-ADP/3QFF-ADP_target.pdbqt | data/3Q/3QFF-ADP/3QFF-ADP_decoys.pdbqt | data/3Q/3QFF-ADP/3QFF-ADP_decoy_scores.csv |
3QD3-3Q5 | data/3Q/3QD3-3Q5/3QD3-3Q5_ligand.pdbqt | data/3Q/3QD3-3Q5/3QD3-3Q5_target.pdbqt | data/3Q/3QD3-3Q5/3QD3-3Q5_decoys.pdbqt | data/3Q/3QD3-3Q5/3QD3-3Q5_decoy_scores.csv |
3Q9Y-TXQ | data/3Q/3Q9Y-TXQ/3Q9Y-TXQ_ligand.pdbqt | data/3Q/3Q9Y-TXQ/3Q9Y-TXQ_target.pdbqt | data/3Q/3Q9Y-TXQ/3Q9Y-TXQ_decoys.pdbqt | data/3Q/3Q9Y-TXQ/3Q9Y-TXQ_decoy_scores.csv |
3Q10-AMP | data/3Q/3Q10-AMP/3Q10-AMP_ligand.pdbqt | data/3Q/3Q10-AMP/3Q10-AMP_target.pdbqt | data/3Q/3Q10-AMP/3Q10-AMP_decoys.pdbqt | data/3Q/3Q10-AMP/3Q10-AMP_decoy_scores.csv |
3Q8D-CPS | data/3Q/3Q8D-CPS/3Q8D-CPS_ligand.pdbqt | data/3Q/3Q8D-CPS/3Q8D-CPS_target.pdbqt | data/3Q/3Q8D-CPS/3Q8D-CPS_decoys.pdbqt | data/3Q/3Q8D-CPS/3Q8D-CPS_decoy_scores.csv |
3QFZ-BGC | data/3Q/3QFZ-BGC/3QFZ-BGC_ligand.pdbqt | data/3Q/3QFZ-BGC/3QFZ-BGC_target.pdbqt | data/3Q/3QFZ-BGC/3QFZ-BGC_decoys.pdbqt | data/3Q/3QFZ-BGC/3QFZ-BGC_decoy_scores.csv |
3QQJ-X11 | data/3Q/3QQJ-X11/3QQJ-X11_ligand.pdbqt | data/3Q/3QQJ-X11/3QQJ-X11_target.pdbqt | data/3Q/3QQJ-X11/3QQJ-X11_decoys.pdbqt | data/3Q/3QQJ-X11/3QQJ-X11_decoy_scores.csv |
3QBI-BNG | data/3Q/3QBI-BNG/3QBI-BNG_ligand.pdbqt | data/3Q/3QBI-BNG/3QBI-BNG_target.pdbqt | data/3Q/3QBI-BNG/3QBI-BNG_decoys.pdbqt | data/3Q/3QBI-BNG/3QBI-BNG_decoy_scores.csv |
3QUD-N3F | data/3Q/3QUD-N3F/3QUD-N3F_ligand.pdbqt | data/3Q/3QUD-N3F/3QUD-N3F_target.pdbqt | data/3Q/3QUD-N3F/3QUD-N3F_decoys.pdbqt | data/3Q/3QUD-N3F/3QUD-N3F_decoy_scores.csv |
3QDC-LFA | data/3Q/3QDC-LFA/3QDC-LFA_ligand.pdbqt | data/3Q/3QDC-LFA/3QDC-LFA_target.pdbqt | data/3Q/3QDC-LFA/3QDC-LFA_decoys.pdbqt | data/3Q/3QDC-LFA/3QDC-LFA_decoy_scores.csv |
3QSD-074 | data/3Q/3QSD-074/3QSD-074_ligand.pdbqt | data/3Q/3QSD-074/3QSD-074_target.pdbqt | data/3Q/3QSD-074/3QSD-074_decoys.pdbqt | data/3Q/3QSD-074/3QSD-074_decoy_scores.csv |
3QXT-MTX | data/3Q/3QXT-MTX/3QXT-MTX_ligand.pdbqt | data/3Q/3QXT-MTX/3QXT-MTX_target.pdbqt | data/3Q/3QXT-MTX/3QXT-MTX_decoys.pdbqt | data/3Q/3QXT-MTX/3QXT-MTX_decoy_scores.csv |
3QAX-ARG | data/3Q/3QAX-ARG/3QAX-ARG_ligand.pdbqt | data/3Q/3QAX-ARG/3QAX-ARG_target.pdbqt | data/3Q/3QAX-ARG/3QAX-ARG_decoys.pdbqt | data/3Q/3QAX-ARG/3QAX-ARG_decoy_scores.csv |
3QRJ-919 | data/3Q/3QRJ-919/3QRJ-919_ligand.pdbqt | data/3Q/3QRJ-919/3QRJ-919_target.pdbqt | data/3Q/3QRJ-919/3QRJ-919_decoys.pdbqt | data/3Q/3QRJ-919/3QRJ-919_decoy_scores.csv |
3QGF-46F | data/3Q/3QGF-46F/3QGF-46F_ligand.pdbqt | data/3Q/3QGF-46F/3QGF-46F_target.pdbqt | data/3Q/3QGF-46F/3QGF-46F_decoys.pdbqt | data/3Q/3QGF-46F/3QGF-46F_decoy_scores.csv |
3QGZ-ADN | data/3Q/3QGZ-ADN/3QGZ-ADN_ligand.pdbqt | data/3Q/3QGZ-ADN/3QGZ-ADN_target.pdbqt | data/3Q/3QGZ-ADN/3QGZ-ADN_decoys.pdbqt | data/3Q/3QGZ-ADN/3QGZ-ADN_decoy_scores.csv |
3QX5-02P | data/3Q/3QX5-02P/3QX5-02P_ligand.pdbqt | data/3Q/3QX5-02P/3QX5-02P_target.pdbqt | data/3Q/3QX5-02P/3QX5-02P_decoys.pdbqt | data/3Q/3QX5-02P/3QX5-02P_decoy_scores.csv |
3QVO-MNB | data/3Q/3QVO-MNB/3QVO-MNB_ligand.pdbqt | data/3Q/3QVO-MNB/3QVO-MNB_target.pdbqt | data/3Q/3QVO-MNB/3QVO-MNB_decoys.pdbqt | data/3Q/3QVO-MNB/3QVO-MNB_decoy_scores.csv |
3QVV-3QV | data/3Q/3QVV-3QV/3QVV-3QV_ligand.pdbqt | data/3Q/3QVV-3QV/3QVV-3QV_target.pdbqt | data/3Q/3QVV-3QV/3QVV-3QV_decoys.pdbqt | data/3Q/3QVV-3QV/3QVV-3QV_decoy_scores.csv |
3QWP-SAM | data/3Q/3QWP-SAM/3QWP-SAM_ligand.pdbqt | data/3Q/3QWP-SAM/3QWP-SAM_target.pdbqt | data/3Q/3QWP-SAM/3QWP-SAM_decoys.pdbqt | data/3Q/3QWP-SAM/3QWP-SAM_decoy_scores.csv |
3QHD-MSR | data/3Q/3QHD-MSR/3QHD-MSR_ligand.pdbqt | data/3Q/3QHD-MSR/3QHD-MSR_target.pdbqt | data/3Q/3QHD-MSR/3QHD-MSR_decoys.pdbqt | data/3Q/3QHD-MSR/3QHD-MSR_decoy_scores.csv |
3Q85-GNP | data/3Q/3Q85-GNP/3Q85-GNP_ligand.pdbqt | data/3Q/3Q85-GNP/3Q85-GNP_target.pdbqt | data/3Q/3Q85-GNP/3Q85-GNP_decoys.pdbqt | data/3Q/3Q85-GNP/3Q85-GNP_decoy_scores.csv |
3QN2-FLC | data/3Q/3QN2-FLC/3QN2-FLC_ligand.pdbqt | data/3Q/3QN2-FLC/3QN2-FLC_target.pdbqt | data/3Q/3QN2-FLC/3QN2-FLC_decoys.pdbqt | data/3Q/3QN2-FLC/3QN2-FLC_decoy_scores.csv |
3QQL-X03 | data/3Q/3QQL-X03/3QQL-X03_ligand.pdbqt | data/3Q/3QQL-X03/3QQL-X03_target.pdbqt | data/3Q/3QQL-X03/3QQL-X03_decoys.pdbqt | data/3Q/3QQL-X03/3QQL-X03_decoy_scores.csv |
3QV9-QV7 | data/3Q/3QV9-QV7/3QV9-QV7_ligand.pdbqt | data/3Q/3QV9-QV7/3QV9-QV7_target.pdbqt | data/3Q/3QV9-QV7/3QV9-QV7_decoys.pdbqt | data/3Q/3QV9-QV7/3QV9-QV7_decoy_scores.csv |
3Q4R-B3P | data/3Q/3Q4R-B3P/3Q4R-B3P_ligand.pdbqt | data/3Q/3Q4R-B3P/3Q4R-B3P_target.pdbqt | data/3Q/3Q4R-B3P/3Q4R-B3P_decoys.pdbqt | data/3Q/3Q4R-B3P/3Q4R-B3P_decoy_scores.csv |
3QP8-HL0 | data/3Q/3QP8-HL0/3QP8-HL0_ligand.pdbqt | data/3Q/3QP8-HL0/3QP8-HL0_target.pdbqt | data/3Q/3QP8-HL0/3QP8-HL0_decoys.pdbqt | data/3Q/3QP8-HL0/3QP8-HL0_decoy_scores.csv |
3QHR-ADP | data/3Q/3QHR-ADP/3QHR-ADP_ligand.pdbqt | data/3Q/3QHR-ADP/3QHR-ADP_target.pdbqt | data/3Q/3QHR-ADP/3QHR-ADP_decoys.pdbqt | data/3Q/3QHR-ADP/3QHR-ADP_decoy_scores.csv |
3QTO-10P | data/3Q/3QTO-10P/3QTO-10P_ligand.pdbqt | data/3Q/3QTO-10P/3QTO-10P_target.pdbqt | data/3Q/3QTO-10P/3QTO-10P_decoys.pdbqt | data/3Q/3QTO-10P/3QTO-10P_decoy_scores.csv |
3Q4Q-B3P | data/3Q/3Q4Q-B3P/3Q4Q-B3P_ligand.pdbqt | data/3Q/3Q4Q-B3P/3Q4Q-B3P_target.pdbqt | data/3Q/3Q4Q-B3P/3Q4Q-B3P_decoys.pdbqt | data/3Q/3Q4Q-B3P/3Q4Q-B3P_decoy_scores.csv |
3QOA-CM5 | data/3Q/3QOA-CM5/3QOA-CM5_ligand.pdbqt | data/3Q/3QOA-CM5/3QOA-CM5_target.pdbqt | data/3Q/3QOA-CM5/3QOA-CM5_decoys.pdbqt | data/3Q/3QOA-CM5/3QOA-CM5_decoy_scores.csv |
3Q00-PMJ | data/3Q/3Q00-PMJ/3Q00-PMJ_ligand.pdbqt | data/3Q/3Q00-PMJ/3Q00-PMJ_target.pdbqt | data/3Q/3Q00-PMJ/3Q00-PMJ_decoys.pdbqt | data/3Q/3Q00-PMJ/3Q00-PMJ_decoy_scores.csv |
3QBK-RET | data/3Q/3QBK-RET/3QBK-RET_ligand.pdbqt | data/3Q/3QBK-RET/3QBK-RET_target.pdbqt | data/3Q/3QBK-RET/3QBK-RET_decoys.pdbqt | data/3Q/3QBK-RET/3QBK-RET_decoy_scores.csv |
3QRS-NK8 | data/3Q/3QRS-NK8/3QRS-NK8_ligand.pdbqt | data/3Q/3QRS-NK8/3QRS-NK8_target.pdbqt | data/3Q/3QRS-NK8/3QRS-NK8_decoys.pdbqt | data/3Q/3QRS-NK8/3QRS-NK8_decoy_scores.csv |
3QRY-DMJ | data/3Q/3QRY-DMJ/3QRY-DMJ_ligand.pdbqt | data/3Q/3QRY-DMJ/3QRY-DMJ_target.pdbqt | data/3Q/3QRY-DMJ/3QRY-DMJ_decoys.pdbqt | data/3Q/3QRY-DMJ/3QRY-DMJ_decoy_scores.csv |
3QV8-S62 | data/3Q/3QV8-S62/3QV8-S62_ligand.pdbqt | data/3Q/3QV8-S62/3QV8-S62_target.pdbqt | data/3Q/3QV8-S62/3QV8-S62_decoys.pdbqt | data/3Q/3QV8-S62/3QV8-S62_decoy_scores.csv |
3QK5-QK5 | data/3Q/3QK5-QK5/3QK5-QK5_ligand.pdbqt | data/3Q/3QK5-QK5/3QK5-QK5_target.pdbqt | data/3Q/3QK5-QK5/3QK5-QK5_decoys.pdbqt | data/3Q/3QK5-QK5/3QK5-QK5_decoy_scores.csv |
3QAL-ATP | data/3Q/3QAL-ATP/3QAL-ATP_ligand.pdbqt | data/3Q/3QAL-ATP/3QAL-ATP_target.pdbqt | data/3Q/3QAL-ATP/3QAL-ATP_decoys.pdbqt | data/3Q/3QAL-ATP/3QAL-ATP_decoy_scores.csv |
3QJ5-022 | data/3Q/3QJ5-022/3QJ5-022_ligand.pdbqt | data/3Q/3QJ5-022/3QJ5-022_target.pdbqt | data/3Q/3QJ5-022/3QJ5-022_decoys.pdbqt | data/3Q/3QJ5-022/3QJ5-022_decoy_scores.csv |
3Q2G-QGF | data/3Q/3Q2G-QGF/3Q2G-QGF_ligand.pdbqt | data/3Q/3Q2G-QGF/3Q2G-QGF_target.pdbqt | data/3Q/3Q2G-QGF/3Q2G-QGF_decoys.pdbqt | data/3Q/3Q2G-QGF/3Q2G-QGF_decoy_scores.csv |
3QCK-NX5 | data/3Q/3QCK-NX5/3QCK-NX5_ligand.pdbqt | data/3Q/3QCK-NX5/3QCK-NX5_target.pdbqt | data/3Q/3QCK-NX5/3QCK-NX5_decoys.pdbqt | data/3Q/3QCK-NX5/3QCK-NX5_decoy_scores.csv |
3Q4O-B3P | data/3Q/3Q4O-B3P/3Q4O-B3P_ligand.pdbqt | data/3Q/3Q4O-B3P/3Q4O-B3P_target.pdbqt | data/3Q/3Q4O-B3P/3Q4O-B3P_decoys.pdbqt | data/3Q/3Q4O-B3P/3Q4O-B3P_decoy_scores.csv |
3QEO-UDP | data/3Q/3QEO-UDP/3QEO-UDP_ligand.pdbqt | data/3Q/3QEO-UDP/3QEO-UDP_target.pdbqt | data/3Q/3QEO-UDP/3QEO-UDP_decoys.pdbqt | data/3Q/3QEO-UDP/3QEO-UDP_decoy_scores.csv |
3QUO-ATP | data/3Q/3QUO-ATP/3QUO-ATP_ligand.pdbqt | data/3Q/3QUO-ATP/3QUO-ATP_target.pdbqt | data/3Q/3QUO-ATP/3QUO-ATP_decoys.pdbqt | data/3Q/3QUO-ATP/3QUO-ATP_decoy_scores.csv |
3QWK-X62 | data/3Q/3QWK-X62/3QWK-X62_ligand.pdbqt | data/3Q/3QWK-X62/3QWK-X62_target.pdbqt | data/3Q/3QWK-X62/3QWK-X62_decoys.pdbqt | data/3Q/3QWK-X62/3QWK-X62_decoy_scores.csv |
3QTW-X3A | data/3Q/3QTW-X3A/3QTW-X3A_ligand.pdbqt | data/3Q/3QTW-X3A/3QTW-X3A_target.pdbqt | data/3Q/3QTW-X3A/3QTW-X3A_decoys.pdbqt | data/3Q/3QTW-X3A/3QTW-X3A_decoy_scores.csv |
3QX2-X63 | data/3Q/3QX2-X63/3QX2-X63_ligand.pdbqt | data/3Q/3QX2-X63/3QX2-X63_target.pdbqt | data/3Q/3QX2-X63/3QX2-X63_decoys.pdbqt | data/3Q/3QX2-X63/3QX2-X63_decoy_scores.csv |
3QDL-FMN | data/3Q/3QDL-FMN/3QDL-FMN_ligand.pdbqt | data/3Q/3QDL-FMN/3QDL-FMN_target.pdbqt | data/3Q/3QDL-FMN/3QDL-FMN_decoys.pdbqt | data/3Q/3QDL-FMN/3QDL-FMN_decoy_scores.csv |
3QVI-PG5 | data/3Q/3QVI-PG5/3QVI-PG5_ligand.pdbqt | data/3Q/3QVI-PG5/3QVI-PG5_target.pdbqt | data/3Q/3QVI-PG5/3QVI-PG5_decoys.pdbqt | data/3Q/3QVI-PG5/3QVI-PG5_decoy_scores.csv |
3Q2K-NAI | data/3Q/3Q2K-NAI/3Q2K-NAI_ligand.pdbqt | data/3Q/3Q2K-NAI/3Q2K-NAI_target.pdbqt | data/3Q/3Q2K-NAI/3Q2K-NAI_decoys.pdbqt | data/3Q/3Q2K-NAI/3Q2K-NAI_decoy_scores.csv |
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