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 ⌀ |
|---|---|---|---|---|
4MWE-2EN | data/4M/4MWE-2EN/4MWE-2EN_ligand.pdbqt | data/4M/4MWE-2EN/4MWE-2EN_target.pdbqt | null | null |
4M89-TCL | data/4M/4M89-TCL/4M89-TCL_ligand.pdbqt | data/4M/4M89-TCL/4M89-TCL_target.pdbqt | data/4M/4M89-TCL/4M89-TCL_decoys.pdbqt | data/4M/4M89-TCL/4M89-TCL_decoy_scores.csv |
4M0W-NHE | data/4M/4M0W-NHE/4M0W-NHE_ligand.pdbqt | data/4M/4M0W-NHE/4M0W-NHE_target.pdbqt | data/4M/4M0W-NHE/4M0W-NHE_decoys.pdbqt | data/4M/4M0W-NHE/4M0W-NHE_decoy_scores.csv |
4M0Z-M0Z | data/4M/4M0Z-M0Z/4M0Z-M0Z_ligand.pdbqt | data/4M/4M0Z-M0Z/4M0Z-M0Z_target.pdbqt | data/4M/4M0Z-M0Z/4M0Z-M0Z_decoys.pdbqt | data/4M/4M0Z-M0Z/4M0Z-M0Z_decoy_scores.csv |
4MQ1-2C3 | data/4M/4MQ1-2C3/4MQ1-2C3_ligand.pdbqt | data/4M/4MQ1-2C3/4MQ1-2C3_target.pdbqt | data/4M/4MQ1-2C3/4MQ1-2C3_decoys.pdbqt | data/4M/4MQ1-2C3/4MQ1-2C3_decoy_scores.csv |
4MX2-AMP | data/4M/4MX2-AMP/4MX2-AMP_ligand.pdbqt | data/4M/4MX2-AMP/4MX2-AMP_target.pdbqt | data/4M/4MX2-AMP/4MX2-AMP_decoys.pdbqt | data/4M/4MX2-AMP/4MX2-AMP_decoy_scores.csv |
4MA8-Z80 | data/4M/4MA8-Z80/4MA8-Z80_ligand.pdbqt | data/4M/4MA8-Z80/4MA8-Z80_target.pdbqt | data/4M/4MA8-Z80/4MA8-Z80_decoys.pdbqt | data/4M/4MA8-Z80/4MA8-Z80_decoy_scores.csv |
4MG5-27E | data/4M/4MG5-27E/4MG5-27E_ligand.pdbqt | data/4M/4MG5-27E/4MG5-27E_target.pdbqt | data/4M/4MG5-27E/4MG5-27E_decoys.pdbqt | data/4M/4MG5-27E/4MG5-27E_decoy_scores.csv |
4MIO-NAI | data/4M/4MIO-NAI/4MIO-NAI_ligand.pdbqt | data/4M/4MIO-NAI/4MIO-NAI_target.pdbqt | data/4M/4MIO-NAI/4MIO-NAI_decoys.pdbqt | data/4M/4MIO-NAI/4MIO-NAI_decoy_scores.csv |
4M2X-TMQ | data/4M/4M2X-TMQ/4M2X-TMQ_ligand.pdbqt | data/4M/4M2X-TMQ/4M2X-TMQ_target.pdbqt | data/4M/4M2X-TMQ/4M2X-TMQ_decoys.pdbqt | data/4M/4M2X-TMQ/4M2X-TMQ_decoy_scores.csv |
4MG7-27H | data/4M/4MG7-27H/4MG7-27H_ligand.pdbqt | data/4M/4MG7-27H/4MG7-27H_target.pdbqt | data/4M/4MG7-27H/4MG7-27H_decoys.pdbqt | data/4M/4MG7-27H/4MG7-27H_decoy_scores.csv |
4MW4-2EB | data/4M/4MW4-2EB/4MW4-2EB_ligand.pdbqt | data/4M/4MW4-2EB/4MW4-2EB_target.pdbqt | null | null |
4MT9-2D6 | data/4M/4MT9-2D6/4MT9-2D6_ligand.pdbqt | data/4M/4MT9-2D6/4MT9-2D6_target.pdbqt | data/4M/4MT9-2D6/4MT9-2D6_decoys.pdbqt | data/4M/4MT9-2D6/4MT9-2D6_decoy_scores.csv |
4MPY-NAD | data/4M/4MPY-NAD/4MPY-NAD_ligand.pdbqt | data/4M/4MPY-NAD/4MPY-NAD_target.pdbqt | data/4M/4MPY-NAD/4MPY-NAD_decoys.pdbqt | data/4M/4MPY-NAD/4MPY-NAD_decoy_scores.csv |
4M5H-YH2 | data/4M/4M5H-YH2/4M5H-YH2_ligand.pdbqt | data/4M/4M5H-YH2/4M5H-YH2_target.pdbqt | data/4M/4M5H-YH2/4M5H-YH2_decoys.pdbqt | data/4M/4M5H-YH2/4M5H-YH2_decoy_scores.csv |
4MRO-S6P | data/4M/4MRO-S6P/4MRO-S6P_ligand.pdbqt | data/4M/4MRO-S6P/4MRO-S6P_target.pdbqt | data/4M/4MRO-S6P/4MRO-S6P_decoys.pdbqt | data/4M/4MRO-S6P/4MRO-S6P_decoy_scores.csv |
4MKT-1V6 | data/4M/4MKT-1V6/4MKT-1V6_ligand.pdbqt | data/4M/4MKT-1V6/4MKT-1V6_target.pdbqt | null | null |
4MWO-2E2 | data/4M/4MWO-2E2/4MWO-2E2_ligand.pdbqt | data/4M/4MWO-2E2/4MWO-2E2_target.pdbqt | data/4M/4MWO-2E2/4MWO-2E2_decoys.pdbqt | data/4M/4MWO-2E2/4MWO-2E2_decoy_scores.csv |
4MQP-2B1 | data/4M/4MQP-2B1/4MQP-2B1_ligand.pdbqt | data/4M/4MQP-2B1/4MQP-2B1_target.pdbqt | data/4M/4MQP-2B1/4MQP-2B1_decoys.pdbqt | data/4M/4MQP-2B1/4MQP-2B1_decoy_scores.csv |
4MJR-0LA | data/4M/4MJR-0LA/4MJR-0LA_ligand.pdbqt | data/4M/4MJR-0LA/4MJR-0LA_target.pdbqt | data/4M/4MJR-0LA/4MJR-0LA_decoys.pdbqt | data/4M/4MJR-0LA/4MJR-0LA_decoy_scores.csv |
4M7V-RAR | data/4M/4M7V-RAR/4M7V-RAR_ligand.pdbqt | data/4M/4M7V-RAR/4M7V-RAR_target.pdbqt | data/4M/4M7V-RAR/4M7V-RAR_decoys.pdbqt | data/4M/4M7V-RAR/4M7V-RAR_decoy_scores.csv |
4MR3-1K0 | data/4M/4MR3-1K0/4MR3-1K0_ligand.pdbqt | data/4M/4MR3-1K0/4MR3-1K0_target.pdbqt | data/4M/4MR3-1K0/4MR3-1K0_decoys.pdbqt | data/4M/4MR3-1K0/4MR3-1K0_decoy_scores.csv |
4MIT-GTP | data/4M/4MIT-GTP/4MIT-GTP_ligand.pdbqt | data/4M/4MIT-GTP/4MIT-GTP_target.pdbqt | data/4M/4MIT-GTP/4MIT-GTP_decoys.pdbqt | data/4M/4MIT-GTP/4MIT-GTP_decoy_scores.csv |
4MO4-ACP | data/4M/4MO4-ACP/4MO4-ACP_ligand.pdbqt | data/4M/4MO4-ACP/4MO4-ACP_target.pdbqt | data/4M/4MO4-ACP/4MO4-ACP_decoys.pdbqt | data/4M/4MO4-ACP/4MO4-ACP_decoy_scores.csv |
4MG8-27J | data/4M/4MG8-27J/4MG8-27J_ligand.pdbqt | data/4M/4MG8-27J/4MG8-27J_target.pdbqt | data/4M/4MG8-27J/4MG8-27J_decoys.pdbqt | data/4M/4MG8-27J/4MG8-27J_decoy_scores.csv |
4MGV-D5I | data/4M/4MGV-D5I/4MGV-D5I_ligand.pdbqt | data/4M/4MGV-D5I/4MGV-D5I_target.pdbqt | data/4M/4MGV-D5I/4MGV-D5I_decoys.pdbqt | data/4M/4MGV-D5I/4MGV-D5I_decoy_scores.csv |
4MSW-DGA | data/4M/4MSW-DGA/4MSW-DGA_ligand.pdbqt | data/4M/4MSW-DGA/4MSW-DGA_target.pdbqt | data/4M/4MSW-DGA/4MSW-DGA_decoys.pdbqt | data/4M/4MSW-DGA/4MSW-DGA_decoy_scores.csv |
4MQL-BTB | data/4M/4MQL-BTB/4MQL-BTB_ligand.pdbqt | data/4M/4MQL-BTB/4MQL-BTB_target.pdbqt | data/4M/4MQL-BTB/4MQL-BTB_decoys.pdbqt | data/4M/4MQL-BTB/4MQL-BTB_decoy_scores.csv |
4MXO-DB8 | data/4M/4MXO-DB8/4MXO-DB8_ligand.pdbqt | data/4M/4MXO-DB8/4MXO-DB8_target.pdbqt | data/4M/4MXO-DB8/4MXO-DB8_decoys.pdbqt | data/4M/4MXO-DB8/4MXO-DB8_decoy_scores.csv |
4MUU-PE5 | data/4M/4MUU-PE5/4MUU-PE5_ligand.pdbqt | data/4M/4MUU-PE5/4MUU-PE5_target.pdbqt | data/4M/4MUU-PE5/4MUU-PE5_decoys.pdbqt | data/4M/4MUU-PE5/4MUU-PE5_decoy_scores.csv |
4MPH-PE3 | data/4M/4MPH-PE3/4MPH-PE3_ligand.pdbqt | data/4M/4MPH-PE3/4MPH-PE3_target.pdbqt | data/4M/4MPH-PE3/4MPH-PE3_decoys.pdbqt | data/4M/4MPH-PE3/4MPH-PE3_decoy_scores.csv |
4MWB-2EK | data/4M/4MWB-2EK/4MWB-2EK_ligand.pdbqt | data/4M/4MWB-2EK/4MWB-2EK_target.pdbqt | null | null |
4M2M-ARG | data/4M/4M2M-ARG/4M2M-ARG_ligand.pdbqt | data/4M/4M2M-ARG/4M2M-ARG_target.pdbqt | data/4M/4M2M-ARG/4M2M-ARG_decoys.pdbqt | data/4M/4M2M-ARG/4M2M-ARG_decoy_scores.csv |
4MC1-526 | data/4M/4MC1-526/4MC1-526_ligand.pdbqt | data/4M/4MC1-526/4MC1-526_target.pdbqt | data/4M/4MC1-526/4MC1-526_decoys.pdbqt | data/4M/4MC1-526/4MC1-526_decoy_scores.csv |
4M81-PNW | data/4M/4M81-PNW/4M81-PNW_ligand.pdbqt | data/4M/4M81-PNW/4M81-PNW_target.pdbqt | data/4M/4M81-PNW/4M81-PNW_decoys.pdbqt | data/4M/4M81-PNW/4M81-PNW_decoy_scores.csv |
4MS4-2C0 | data/4M/4MS4-2C0/4MS4-2C0_ligand.pdbqt | data/4M/4MS4-2C0/4MS4-2C0_target.pdbqt | data/4M/4MS4-2C0/4MS4-2C0_decoys.pdbqt | data/4M/4MS4-2C0/4MS4-2C0_decoy_scores.csv |
4MC9-23L | data/4M/4MC9-23L/4MC9-23L_ligand.pdbqt | data/4M/4MC9-23L/4MC9-23L_target.pdbqt | data/4M/4MC9-23L/4MC9-23L_decoys.pdbqt | data/4M/4MC9-23L/4MC9-23L_decoy_scores.csv |
4MIY-INS | data/4M/4MIY-INS/4MIY-INS_ligand.pdbqt | data/4M/4MIY-INS/4MIY-INS_target.pdbqt | data/4M/4MIY-INS/4MIY-INS_decoys.pdbqt | data/4M/4MIY-INS/4MIY-INS_decoy_scores.csv |
4MUT-PE3 | data/4M/4MUT-PE3/4MUT-PE3_ligand.pdbqt | data/4M/4MUT-PE3/4MUT-PE3_target.pdbqt | data/4M/4MUT-PE3/4MUT-PE3_decoys.pdbqt | data/4M/4MUT-PE3/4MUT-PE3_decoy_scores.csv |
4MA0-AMP | data/4M/4MA0-AMP/4MA0-AMP_ligand.pdbqt | data/4M/4MA0-AMP/4MA0-AMP_target.pdbqt | data/4M/4MA0-AMP/4MA0-AMP_decoys.pdbqt | data/4M/4MA0-AMP/4MA0-AMP_decoy_scores.csv |
4M5I-APC | data/4M/4M5I-APC/4M5I-APC_ligand.pdbqt | data/4M/4M5I-APC/4M5I-APC_target.pdbqt | data/4M/4M5I-APC/4M5I-APC_decoys.pdbqt | data/4M/4M5I-APC/4M5I-APC_decoy_scores.csv |
4MWH-ATP | data/4M/4MWH-ATP/4MWH-ATP_ligand.pdbqt | data/4M/4MWH-ATP/4MWH-ATP_target.pdbqt | data/4M/4MWH-ATP/4MWH-ATP_decoys.pdbqt | data/4M/4MWH-ATP/4MWH-ATP_decoy_scores.csv |
4MAM-A12 | data/4M/4MAM-A12/4MAM-A12_ligand.pdbqt | data/4M/4MAM-A12/4MAM-A12_target.pdbqt | data/4M/4MAM-A12/4MAM-A12_decoys.pdbqt | data/4M/4MAM-A12/4MAM-A12_decoy_scores.csv |
4MUB-A3P | data/4M/4MUB-A3P/4MUB-A3P_ligand.pdbqt | data/4M/4MUB-A3P/4MUB-A3P_target.pdbqt | data/4M/4MUB-A3P/4MUB-A3P_decoys.pdbqt | data/4M/4MUB-A3P/4MUB-A3P_decoy_scores.csv |
4MK3-GSF | data/4M/4MK3-GSF/4MK3-GSF_ligand.pdbqt | data/4M/4MK3-GSF/4MK3-GSF_target.pdbqt | data/4M/4MK3-GSF/4MK3-GSF_decoys.pdbqt | data/4M/4MK3-GSF/4MK3-GSF_decoy_scores.csv |
4M2C-DAR | data/4M/4M2C-DAR/4M2C-DAR_ligand.pdbqt | data/4M/4M2C-DAR/4M2C-DAR_target.pdbqt | data/4M/4M2C-DAR/4M2C-DAR_decoys.pdbqt | data/4M/4M2C-DAR/4M2C-DAR_decoy_scores.csv |
4MDD-29M | data/4M/4MDD-29M/4MDD-29M_ligand.pdbqt | data/4M/4MDD-29M/4MDD-29M_target.pdbqt | data/4M/4MDD-29M/4MDD-29M_decoys.pdbqt | data/4M/4MDD-29M/4MDD-29M_decoy_scores.csv |
4MI9-26W | data/4M/4MI9-26W/4MI9-26W_ligand.pdbqt | data/4M/4MI9-26W/4MI9-26W_target.pdbqt | data/4M/4MI9-26W/4MI9-26W_decoys.pdbqt | data/4M/4MI9-26W/4MI9-26W_decoy_scores.csv |
4MV8-ACP | data/4M/4MV8-ACP/4MV8-ACP_ligand.pdbqt | data/4M/4MV8-ACP/4MV8-ACP_target.pdbqt | data/4M/4MV8-ACP/4MV8-ACP_decoys.pdbqt | data/4M/4MV8-ACP/4MV8-ACP_decoy_scores.csv |
4M2U-ETS | data/4M/4M2U-ETS/4M2U-ETS_ligand.pdbqt | data/4M/4M2U-ETS/4M2U-ETS_target.pdbqt | data/4M/4M2U-ETS/4M2U-ETS_decoys.pdbqt | data/4M/4M2U-ETS/4M2U-ETS_decoy_scores.csv |
4M1I-P6G | data/4M/4M1I-P6G/4M1I-P6G_ligand.pdbqt | data/4M/4M1I-P6G/4M1I-P6G_target.pdbqt | data/4M/4M1I-P6G/4M1I-P6G_decoys.pdbqt | data/4M/4M1I-P6G/4M1I-P6G_decoy_scores.csv |
4MRO-MG0 | data/4M/4MRO-MG0/4MRO-MG0_ligand.pdbqt | data/4M/4MRO-MG0/4MRO-MG0_target.pdbqt | data/4M/4MRO-MG0/4MRO-MG0_decoys.pdbqt | data/4M/4MRO-MG0/4MRO-MG0_decoy_scores.csv |
4MDP-BGC | data/4M/4MDP-BGC/4MDP-BGC_ligand.pdbqt | data/4M/4MDP-BGC/4MDP-BGC_target.pdbqt | data/4M/4MDP-BGC/4MDP-BGC_decoys.pdbqt | data/4M/4MDP-BGC/4MDP-BGC_decoy_scores.csv |
4MIH-G3F | data/4M/4MIH-G3F/4MIH-G3F_ligand.pdbqt | data/4M/4MIH-G3F/4MIH-G3F_target.pdbqt | data/4M/4MIH-G3F/4MIH-G3F_decoys.pdbqt | data/4M/4MIH-G3F/4MIH-G3F_decoy_scores.csv |
4MIK-JIL | data/4M/4MIK-JIL/4MIK-JIL_ligand.pdbqt | data/4M/4MIK-JIL/4MIK-JIL_target.pdbqt | data/4M/4MIK-JIL/4MIK-JIL_decoys.pdbqt | data/4M/4MIK-JIL/4MIK-JIL_decoy_scores.csv |
4MP2-PV1 | data/4M/4MP2-PV1/4MP2-PV1_ligand.pdbqt | data/4M/4MP2-PV1/4MP2-PV1_target.pdbqt | data/4M/4MP2-PV1/4MP2-PV1_decoys.pdbqt | data/4M/4MP2-PV1/4MP2-PV1_decoy_scores.csv |
4M6Y-56D | data/4M/4M6Y-56D/4M6Y-56D_ligand.pdbqt | data/4M/4M6Y-56D/4M6Y-56D_target.pdbqt | data/4M/4M6Y-56D/4M6Y-56D_decoys.pdbqt | data/4M/4M6Y-56D/4M6Y-56D_decoy_scores.csv |
4MWI-PXN | data/4M/4MWI-PXN/4MWI-PXN_ligand.pdbqt | data/4M/4MWI-PXN/4MWI-PXN_target.pdbqt | data/4M/4MWI-PXN/4MWI-PXN_decoys.pdbqt | data/4M/4MWI-PXN/4MWI-PXN_decoy_scores.csv |
4M12-1YZ | data/4M/4M12-1YZ/4M12-1YZ_ligand.pdbqt | data/4M/4M12-1YZ/4M12-1YZ_target.pdbqt | data/4M/4M12-1YZ/4M12-1YZ_decoys.pdbqt | data/4M/4M12-1YZ/4M12-1YZ_decoy_scores.csv |
4MK8-28Q | data/4M/4MK8-28Q/4MK8-28Q_ligand.pdbqt | data/4M/4MK8-28Q/4MK8-28Q_target.pdbqt | data/4M/4MK8-28Q/4MK8-28Q_decoys.pdbqt | data/4M/4MK8-28Q/4MK8-28Q_decoy_scores.csv |
4M82-BGC | data/4M/4M82-BGC/4M82-BGC_ligand.pdbqt | data/4M/4M82-BGC/4M82-BGC_target.pdbqt | data/4M/4M82-BGC/4M82-BGC_decoys.pdbqt | data/4M/4M82-BGC/4M82-BGC_decoy_scores.csv |
4MUU-BNG | data/4M/4MUU-BNG/4MUU-BNG_ligand.pdbqt | data/4M/4MUU-BNG/4MUU-BNG_target.pdbqt | data/4M/4MUU-BNG/4MUU-BNG_decoys.pdbqt | data/4M/4MUU-BNG/4MUU-BNG_decoy_scores.csv |
4M5O-X48 | data/4M/4M5O-X48/4M5O-X48_ligand.pdbqt | data/4M/4M5O-X48/4M5O-X48_target.pdbqt | data/4M/4M5O-X48/4M5O-X48_decoys.pdbqt | data/4M/4M5O-X48/4M5O-X48_decoy_scores.csv |
4MRP-LDA | data/4M/4MRP-LDA/4MRP-LDA_ligand.pdbqt | data/4M/4MRP-LDA/4MRP-LDA_target.pdbqt | data/4M/4MRP-LDA/4MRP-LDA_decoys.pdbqt | data/4M/4MRP-LDA/4MRP-LDA_decoy_scores.csv |
4M22-GDP | data/4M/4M22-GDP/4M22-GDP_ligand.pdbqt | data/4M/4M22-GDP/4M22-GDP_target.pdbqt | data/4M/4M22-GDP/4M22-GDP_decoys.pdbqt | data/4M/4M22-GDP/4M22-GDP_decoy_scores.csv |
4MWD-ACP | data/4M/4MWD-ACP/4MWD-ACP_ligand.pdbqt | data/4M/4MWD-ACP/4MWD-ACP_target.pdbqt | null | null |
4MF1-29Y | data/4M/4MF1-29Y/4MF1-29Y_ligand.pdbqt | data/4M/4MF1-29Y/4MF1-29Y_target.pdbqt | data/4M/4MF1-29Y/4MF1-29Y_decoys.pdbqt | data/4M/4MF1-29Y/4MF1-29Y_decoy_scores.csv |
4MGB-XDH | data/4M/4MGB-XDH/4MGB-XDH_ligand.pdbqt | data/4M/4MGB-XDH/4MGB-XDH_target.pdbqt | data/4M/4MGB-XDH/4MGB-XDH_decoys.pdbqt | data/4M/4MGB-XDH/4MGB-XDH_decoy_scores.csv |
4MUZ-BMP | data/4M/4MUZ-BMP/4MUZ-BMP_ligand.pdbqt | data/4M/4MUZ-BMP/4MUZ-BMP_target.pdbqt | data/4M/4MUZ-BMP/4MUZ-BMP_decoys.pdbqt | data/4M/4MUZ-BMP/4MUZ-BMP_decoy_scores.csv |
4M5M-DX4 | data/4M/4M5M-DX4/4M5M-DX4_ligand.pdbqt | data/4M/4M5M-DX4/4M5M-DX4_target.pdbqt | data/4M/4M5M-DX4/4M5M-DX4_decoys.pdbqt | data/4M/4M5M-DX4/4M5M-DX4_decoy_scores.csv |
4MOH-SHG | data/4M/4MOH-SHG/4MOH-SHG_ligand.pdbqt | data/4M/4MOH-SHG/4MOH-SHG_target.pdbqt | data/4M/4MOH-SHG/4MOH-SHG_decoys.pdbqt | data/4M/4MOH-SHG/4MOH-SHG_decoy_scores.csv |
4MPP-TZD | data/4M/4MPP-TZD/4MPP-TZD_ligand.pdbqt | data/4M/4MPP-TZD/4MPP-TZD_target.pdbqt | data/4M/4MPP-TZD/4MPP-TZD_decoys.pdbqt | data/4M/4MPP-TZD/4MPP-TZD_decoy_scores.csv |
4MLV-DPM | data/4M/4MLV-DPM/4MLV-DPM_ligand.pdbqt | data/4M/4MLV-DPM/4MLV-DPM_target.pdbqt | data/4M/4MLV-DPM/4MLV-DPM_decoys.pdbqt | data/4M/4MLV-DPM/4MLV-DPM_decoy_scores.csv |
4MB9-28F | data/4M/4MB9-28F/4MB9-28F_ligand.pdbqt | data/4M/4MB9-28F/4MB9-28F_target.pdbqt | data/4M/4MB9-28F/4MB9-28F_decoys.pdbqt | data/4M/4MB9-28F/4MB9-28F_decoy_scores.csv |
4MHO-26M | data/4M/4MHO-26M/4MHO-26M_ligand.pdbqt | data/4M/4MHO-26M/4MHO-26M_target.pdbqt | data/4M/4MHO-26M/4MHO-26M_decoys.pdbqt | data/4M/4MHO-26M/4MHO-26M_decoy_scores.csv |
4M8D-23J | data/4M/4M8D-23J/4M8D-23J_ligand.pdbqt | data/4M/4M8D-23J/4M8D-23J_target.pdbqt | data/4M/4M8D-23J/4M8D-23J_decoys.pdbqt | data/4M/4M8D-23J/4M8D-23J_decoy_scores.csv |
4M3G-2G1 | data/4M/4M3G-2G1/4M3G-2G1_ligand.pdbqt | data/4M/4M3G-2G1/4M3G-2G1_target.pdbqt | data/4M/4M3G-2G1/4M3G-2G1_decoys.pdbqt | data/4M/4M3G-2G1/4M3G-2G1_decoy_scores.csv |
4MOE-12P | data/4M/4MOE-12P/4MOE-12P_ligand.pdbqt | data/4M/4MOE-12P/4MOE-12P_target.pdbqt | data/4M/4MOE-12P/4MOE-12P_decoys.pdbqt | data/4M/4MOE-12P/4MOE-12P_decoy_scores.csv |
4MSU-2EU | data/4M/4MSU-2EU/4MSU-2EU_ligand.pdbqt | data/4M/4MSU-2EU/4MSU-2EU_target.pdbqt | data/4M/4MSU-2EU/4MSU-2EU_decoys.pdbqt | data/4M/4MSU-2EU/4MSU-2EU_decoy_scores.csv |
4MJP-27O | data/4M/4MJP-27O/4MJP-27O_ligand.pdbqt | data/4M/4MJP-27O/4MJP-27O_target.pdbqt | data/4M/4MJP-27O/4MJP-27O_decoys.pdbqt | data/4M/4MJP-27O/4MJP-27O_decoy_scores.csv |
4M38-SAH | data/4M/4M38-SAH/4M38-SAH_ligand.pdbqt | data/4M/4M38-SAH/4M38-SAH_target.pdbqt | data/4M/4M38-SAH/4M38-SAH_decoys.pdbqt | data/4M/4M38-SAH/4M38-SAH_decoy_scores.csv |
4MJL-CBU | data/4M/4MJL-CBU/4MJL-CBU_ligand.pdbqt | data/4M/4MJL-CBU/4MJL-CBU_target.pdbqt | data/4M/4MJL-CBU/4MJL-CBU_decoys.pdbqt | data/4M/4MJL-CBU/4MJL-CBU_decoy_scores.csv |
4M9Q-GNP | data/4M/4M9Q-GNP/4M9Q-GNP_ligand.pdbqt | data/4M/4M9Q-GNP/4M9Q-GNP_target.pdbqt | data/4M/4M9Q-GNP/4M9Q-GNP_decoys.pdbqt | data/4M/4M9Q-GNP/4M9Q-GNP_decoy_scores.csv |
4MUU-218 | data/4M/4MUU-218/4MUU-218_ligand.pdbqt | data/4M/4MUU-218/4MUU-218_target.pdbqt | data/4M/4MUU-218/4MUU-218_decoys.pdbqt | data/4M/4MUU-218/4MUU-218_decoy_scores.csv |
4MUS-2D8 | data/4M/4MUS-2D8/4MUS-2D8_ligand.pdbqt | data/4M/4MUS-2D8/4MUS-2D8_target.pdbqt | data/4M/4MUS-2D8/4MUS-2D8_decoys.pdbqt | data/4M/4MUS-2D8/4MUS-2D8_decoy_scores.csv |
4MDH-NAD | data/4M/4MDH-NAD/4MDH-NAD_ligand.pdbqt | data/4M/4MDH-NAD/4MDH-NAD_target.pdbqt | data/4M/4MDH-NAD/4MDH-NAD_decoys.pdbqt | data/4M/4MDH-NAD/4MDH-NAD_decoy_scores.csv |
4MSA-2ZM | data/4M/4MSA-2ZM/4MSA-2ZM_ligand.pdbqt | data/4M/4MSA-2ZM/4MSA-2ZM_target.pdbqt | data/4M/4MSA-2ZM/4MSA-2ZM_decoys.pdbqt | data/4M/4MSA-2ZM/4MSA-2ZM_decoy_scores.csv |
4M5L-APC | data/4M/4M5L-APC/4M5L-APC_ligand.pdbqt | data/4M/4M5L-APC/4M5L-APC_target.pdbqt | data/4M/4M5L-APC/4M5L-APC_decoys.pdbqt | data/4M/4M5L-APC/4M5L-APC_decoy_scores.csv |
4MSS-2CZ | data/4M/4MSS-2CZ/4MSS-2CZ_ligand.pdbqt | data/4M/4MSS-2CZ/4MSS-2CZ_target.pdbqt | data/4M/4MSS-2CZ/4MSS-2CZ_decoys.pdbqt | data/4M/4MSS-2CZ/4MSS-2CZ_decoy_scores.csv |
4MP7-PFT | data/4M/4MP7-PFT/4MP7-PFT_ligand.pdbqt | data/4M/4MP7-PFT/4MP7-PFT_target.pdbqt | data/4M/4MP7-PFT/4MP7-PFT_decoys.pdbqt | data/4M/4MP7-PFT/4MP7-PFT_decoy_scores.csv |
4M6S-RET | data/4M/4M6S-RET/4M6S-RET_ligand.pdbqt | data/4M/4M6S-RET/4M6S-RET_target.pdbqt | data/4M/4M6S-RET/4M6S-RET_decoys.pdbqt | data/4M/4M6S-RET/4M6S-RET_decoy_scores.csv |
4M6L-21V | data/4M/4M6L-21V/4M6L-21V_ligand.pdbqt | data/4M/4M6L-21V/4M6L-21V_target.pdbqt | data/4M/4M6L-21V/4M6L-21V_decoys.pdbqt | data/4M/4M6L-21V/4M6L-21V_decoy_scores.csv |
4M3M-22N | data/4M/4M3M-22N/4M3M-22N_ligand.pdbqt | data/4M/4M3M-22N/4M3M-22N_target.pdbqt | data/4M/4M3M-22N/4M3M-22N_decoys.pdbqt | data/4M/4M3M-22N/4M3M-22N_decoy_scores.csv |
4MOR-12P | data/4M/4MOR-12P/4MOR-12P_ligand.pdbqt | data/4M/4MOR-12P/4MOR-12P_target.pdbqt | data/4M/4MOR-12P/4MOR-12P_decoys.pdbqt | data/4M/4MOR-12P/4MOR-12P_decoy_scores.csv |
4MUF-2DJ | data/4M/4MUF-2DJ/4MUF-2DJ_ligand.pdbqt | data/4M/4MUF-2DJ/4MUF-2DJ_target.pdbqt | data/4M/4MUF-2DJ/4MUF-2DJ_decoys.pdbqt | data/4M/4MUF-2DJ/4MUF-2DJ_decoy_scores.csv |
4MV1-ADP | data/4M/4MV1-ADP/4MV1-ADP_ligand.pdbqt | data/4M/4MV1-ADP/4MV1-ADP_target.pdbqt | data/4M/4MV1-ADP/4MV1-ADP_decoys.pdbqt | data/4M/4MV1-ADP/4MV1-ADP_decoy_scores.csv |
4MRG-24W | data/4M/4MRG-24W/4MRG-24W_ligand.pdbqt | data/4M/4MRG-24W/4MRG-24W_target.pdbqt | data/4M/4MRG-24W/4MRG-24W_decoys.pdbqt | data/4M/4MRG-24W/4MRG-24W_decoy_scores.csv |
4M5J-YH5 | data/4M/4M5J-YH5/4M5J-YH5_ligand.pdbqt | data/4M/4M5J-YH5/4M5J-YH5_target.pdbqt | data/4M/4M5J-YH5/4M5J-YH5_decoys.pdbqt | data/4M/4M5J-YH5/4M5J-YH5_decoy_scores.csv |
4M2E-HRG | data/4M/4M2E-HRG/4M2E-HRG_ligand.pdbqt | data/4M/4M2E-HRG/4M2E-HRG_target.pdbqt | data/4M/4M2E-HRG/4M2E-HRG_decoys.pdbqt | data/4M/4M2E-HRG/4M2E-HRG_decoy_scores.csv |
4MQY-UKW | data/4M/4MQY-UKW/4MQY-UKW_ligand.pdbqt | data/4M/4MQY-UKW/4MQY-UKW_target.pdbqt | data/4M/4MQY-UKW/4MQY-UKW_decoys.pdbqt | data/4M/4MQY-UKW/4MQY-UKW_decoy_scores.csv |
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