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 ⌀ |
|---|---|---|---|---|
5SCD-I8U | data/5S/5SCD-I8U/5SCD-I8U_ligand.pdbqt | data/5S/5SCD-I8U/5SCD-I8U_target.pdbqt | data/5S/5SCD-I8U/5SCD-I8U_decoys.pdbqt | data/5S/5SCD-I8U/5SCD-I8U_decoy_scores.csv |
5S2I-LUY | data/5S/5S2I-LUY/5S2I-LUY_ligand.pdbqt | data/5S/5S2I-LUY/5S2I-LUY_target.pdbqt | data/5S/5S2I-LUY/5S2I-LUY_decoys.pdbqt | data/5S/5S2I-LUY/5S2I-LUY_decoy_scores.csv |
5S24-WRM | data/5S/5S24-WRM/5S24-WRM_ligand.pdbqt | data/5S/5S24-WRM/5S24-WRM_target.pdbqt | data/5S/5S24-WRM/5S24-WRM_decoys.pdbqt | data/5S/5S24-WRM/5S24-WRM_decoy_scores.csv |
5SJF-K1X | data/5S/5SJF-K1X/5SJF-K1X_ligand.pdbqt | data/5S/5SJF-K1X/5SJF-K1X_target.pdbqt | data/5S/5SJF-K1X/5SJF-K1X_decoys.pdbqt | data/5S/5SJF-K1X/5SJF-K1X_decoy_scores.csv |
5SL2-LFO | data/5S/5SL2-LFO/5SL2-LFO_ligand.pdbqt | data/5S/5SL2-LFO/5SL2-LFO_target.pdbqt | data/5S/5SL2-LFO/5SL2-LFO_decoys.pdbqt | data/5S/5SL2-LFO/5SL2-LFO_decoy_scores.csv |
5SB0-1IZ | data/5S/5SB0-1IZ/5SB0-1IZ_ligand.pdbqt | data/5S/5SB0-1IZ/5SB0-1IZ_target.pdbqt | data/5S/5SB0-1IZ/5SB0-1IZ_decoys.pdbqt | data/5S/5SB0-1IZ/5SB0-1IZ_decoy_scores.csv |
5SKS-KIS | data/5S/5SKS-KIS/5SKS-KIS_ligand.pdbqt | data/5S/5SKS-KIS/5SKS-KIS_target.pdbqt | data/5S/5SKS-KIS/5SKS-KIS_decoys.pdbqt | data/5S/5SKS-KIS/5SKS-KIS_decoy_scores.csv |
5SLS-SZE | data/5S/5SLS-SZE/5SLS-SZE_ligand.pdbqt | data/5S/5SLS-SZE/5SLS-SZE_target.pdbqt | data/5S/5SLS-SZE/5SLS-SZE_decoys.pdbqt | data/5S/5SLS-SZE/5SLS-SZE_decoy_scores.csv |
5SLK-LKL | data/5S/5SLK-LKL/5SLK-LKL_ligand.pdbqt | data/5S/5SLK-LKL/5SLK-LKL_target.pdbqt | data/5S/5SLK-LKL/5SLK-LKL_decoys.pdbqt | data/5S/5SLK-LKL/5SLK-LKL_decoy_scores.csv |
5SKB-KDX | data/5S/5SKB-KDX/5SKB-KDX_ligand.pdbqt | data/5S/5SKB-KDX/5SKB-KDX_target.pdbqt | data/5S/5SKB-KDX/5SKB-KDX_decoys.pdbqt | data/5S/5SKB-KDX/5SKB-KDX_decoy_scores.csv |
5S5Q-HR5 | data/5S/5S5Q-HR5/5S5Q-HR5_ligand.pdbqt | data/5S/5S5Q-HR5/5S5Q-HR5_target.pdbqt | data/5S/5S5Q-HR5/5S5Q-HR5_decoys.pdbqt | data/5S/5S5Q-HR5/5S5Q-HR5_decoy_scores.csv |
5SVF-70P | data/5S/5SVF-70P/5SVF-70P_ligand.pdbqt | data/5S/5SVF-70P/5SVF-70P_target.pdbqt | data/5S/5SVF-70P/5SVF-70P_decoys.pdbqt | data/5S/5SVF-70P/5SVF-70P_decoy_scores.csv |
5S5R-ACP | data/5S/5S5R-ACP/5S5R-ACP_ligand.pdbqt | data/5S/5S5R-ACP/5S5R-ACP_target.pdbqt | data/5S/5S5R-ACP/5S5R-ACP_decoys.pdbqt | data/5S/5S5R-ACP/5S5R-ACP_decoy_scores.csv |
5SEC-IEX | data/5S/5SEC-IEX/5SEC-IEX_ligand.pdbqt | data/5S/5SEC-IEX/5SEC-IEX_target.pdbqt | data/5S/5SEC-IEX/5SEC-IEX_decoys.pdbqt | data/5S/5SEC-IEX/5SEC-IEX_decoy_scores.csv |
5SZ3-72H | data/5S/5SZ3-72H/5SZ3-72H_ligand.pdbqt | data/5S/5SZ3-72H/5SZ3-72H_target.pdbqt | data/5S/5SZ3-72H/5SZ3-72H_decoys.pdbqt | data/5S/5SZ3-72H/5SZ3-72H_decoy_scores.csv |
5S3P-W21 | data/5S/5S3P-W21/5S3P-W21_ligand.pdbqt | data/5S/5S3P-W21/5S3P-W21_target.pdbqt | data/5S/5S3P-W21/5S3P-W21_decoys.pdbqt | data/5S/5S3P-W21/5S3P-W21_decoy_scores.csv |
5S4M-ACP | data/5S/5S4M-ACP/5S4M-ACP_ligand.pdbqt | data/5S/5S4M-ACP/5S4M-ACP_target.pdbqt | data/5S/5S4M-ACP/5S4M-ACP_decoys.pdbqt | data/5S/5S4M-ACP/5S4M-ACP_decoy_scores.csv |
5SBU-8C2 | data/5S/5SBU-8C2/5SBU-8C2_ligand.pdbqt | data/5S/5SBU-8C2/5SBU-8C2_target.pdbqt | data/5S/5SBU-8C2/5SBU-8C2_decoys.pdbqt | data/5S/5SBU-8C2/5SBU-8C2_decoy_scores.csv |
5SBA-GTP | data/5S/5SBA-GTP/5SBA-GTP_ligand.pdbqt | data/5S/5SBA-GTP/5SBA-GTP_target.pdbqt | data/5S/5SBA-GTP/5SBA-GTP_decoys.pdbqt | data/5S/5SBA-GTP/5SBA-GTP_decoy_scores.csv |
5STN-W9O | data/5S/5STN-W9O/5STN-W9O_ligand.pdbqt | data/5S/5STN-W9O/5STN-W9O_target.pdbqt | data/5S/5STN-W9O/5STN-W9O_decoys.pdbqt | data/5S/5STN-W9O/5STN-W9O_decoy_scores.csv |
5SJO-K79 | data/5S/5SJO-K79/5SJO-K79_ligand.pdbqt | data/5S/5SJO-K79/5SJO-K79_target.pdbqt | data/5S/5SJO-K79/5SJO-K79_decoys.pdbqt | data/5S/5SJO-K79/5SJO-K79_decoy_scores.csv |
5SYT-C8E | data/5S/5SYT-C8E/5SYT-C8E_ligand.pdbqt | data/5S/5SYT-C8E/5SYT-C8E_target.pdbqt | data/5S/5SYT-C8E/5SYT-C8E_decoys.pdbqt | data/5S/5SYT-C8E/5SYT-C8E_decoy_scores.csv |
5S2W-GWP | data/5S/5S2W-GWP/5S2W-GWP_ligand.pdbqt | data/5S/5S2W-GWP/5S2W-GWP_target.pdbqt | data/5S/5S2W-GWP/5S2W-GWP_decoys.pdbqt | data/5S/5S2W-GWP/5S2W-GWP_decoy_scores.csv |
5SF3-IJA | data/5S/5SF3-IJA/5SF3-IJA_ligand.pdbqt | data/5S/5SF3-IJA/5SF3-IJA_target.pdbqt | data/5S/5SF3-IJA/5SF3-IJA_decoys.pdbqt | data/5S/5SF3-IJA/5SF3-IJA_decoy_scores.csv |
5SH8-J9C | data/5S/5SH8-J9C/5SH8-J9C_ligand.pdbqt | data/5S/5SH8-J9C/5SH8-J9C_target.pdbqt | data/5S/5SH8-J9C/5SH8-J9C_decoys.pdbqt | data/5S/5SH8-J9C/5SH8-J9C_decoy_scores.csv |
5S4P-WNY | data/5S/5S4P-WNY/5S4P-WNY_ligand.pdbqt | data/5S/5S4P-WNY/5S4P-WNY_target.pdbqt | data/5S/5S4P-WNY/5S4P-WNY_decoys.pdbqt | data/5S/5S4P-WNY/5S4P-WNY_decoy_scores.csv |
5S9S-AXG | data/5S/5S9S-AXG/5S9S-AXG_ligand.pdbqt | data/5S/5S9S-AXG/5S9S-AXG_target.pdbqt | data/5S/5S9S-AXG/5S9S-AXG_decoys.pdbqt | data/5S/5S9S-AXG/5S9S-AXG_decoy_scores.csv |
5SEL-IG1 | data/5S/5SEL-IG1/5SEL-IG1_ligand.pdbqt | data/5S/5SEL-IG1/5SEL-IG1_target.pdbqt | data/5S/5SEL-IG1/5SEL-IG1_decoys.pdbqt | data/5S/5SEL-IG1/5SEL-IG1_decoy_scores.csv |
5SK0-KAU | data/5S/5SK0-KAU/5SK0-KAU_ligand.pdbqt | data/5S/5SK0-KAU/5SK0-KAU_target.pdbqt | data/5S/5SK0-KAU/5SK0-KAU_decoys.pdbqt | data/5S/5SK0-KAU/5SK0-KAU_decoy_scores.csv |
5SGM-IY2 | data/5S/5SGM-IY2/5SGM-IY2_ligand.pdbqt | data/5S/5SGM-IY2/5SGM-IY2_target.pdbqt | data/5S/5SGM-IY2/5SGM-IY2_decoys.pdbqt | data/5S/5SGM-IY2/5SGM-IY2_decoy_scores.csv |
5SCW-H6O | data/5S/5SCW-H6O/5SCW-H6O_ligand.pdbqt | data/5S/5SCW-H6O/5SCW-H6O_target.pdbqt | data/5S/5SCW-H6O/5SCW-H6O_decoys.pdbqt | data/5S/5SCW-H6O/5SCW-H6O_decoy_scores.csv |
5STF-VOK | data/5S/5STF-VOK/5STF-VOK_ligand.pdbqt | data/5S/5STF-VOK/5STF-VOK_target.pdbqt | data/5S/5STF-VOK/5STF-VOK_decoys.pdbqt | data/5S/5STF-VOK/5STF-VOK_decoy_scores.csv |
5SE4-ICW | data/5S/5SE4-ICW/5SE4-ICW_ligand.pdbqt | data/5S/5SE4-ICW/5SE4-ICW_target.pdbqt | data/5S/5SE4-ICW/5SE4-ICW_decoys.pdbqt | data/5S/5SE4-ICW/5SE4-ICW_decoy_scores.csv |
5SKY-O2M | data/5S/5SKY-O2M/5SKY-O2M_ligand.pdbqt | data/5S/5SKY-O2M/5SKY-O2M_target.pdbqt | data/5S/5SKY-O2M/5SKY-O2M_decoys.pdbqt | data/5S/5SKY-O2M/5SKY-O2M_decoy_scores.csv |
5SF2-IJ7 | data/5S/5SF2-IJ7/5SF2-IJ7_ligand.pdbqt | data/5S/5SF2-IJ7/5SF2-IJ7_target.pdbqt | data/5S/5SF2-IJ7/5SF2-IJ7_decoys.pdbqt | data/5S/5SF2-IJ7/5SF2-IJ7_decoy_scores.csv |
5SD5-HWI | data/5S/5SD5-HWI/5SD5-HWI_ligand.pdbqt | data/5S/5SD5-HWI/5SD5-HWI_target.pdbqt | data/5S/5SD5-HWI/5SD5-HWI_decoys.pdbqt | data/5S/5SD5-HWI/5SD5-HWI_decoy_scores.csv |
5SDV-IAI | data/5S/5SDV-IAI/5SDV-IAI_ligand.pdbqt | data/5S/5SDV-IAI/5SDV-IAI_target.pdbqt | data/5S/5SDV-IAI/5SDV-IAI_decoys.pdbqt | data/5S/5SDV-IAI/5SDV-IAI_decoy_scores.csv |
5SHB-JCJ | data/5S/5SHB-JCJ/5SHB-JCJ_ligand.pdbqt | data/5S/5SHB-JCJ/5SHB-JCJ_target.pdbqt | data/5S/5SHB-JCJ/5SHB-JCJ_decoys.pdbqt | data/5S/5SHB-JCJ/5SHB-JCJ_decoy_scores.csv |
5S66-GDP | data/5S/5S66-GDP/5S66-GDP_ligand.pdbqt | data/5S/5S66-GDP/5S66-GDP_target.pdbqt | data/5S/5S66-GDP/5S66-GDP_decoys.pdbqt | data/5S/5S66-GDP/5S66-GDP_decoy_scores.csv |
5S9A-XZY | data/5S/5S9A-XZY/5S9A-XZY_ligand.pdbqt | data/5S/5S9A-XZY/5S9A-XZY_target.pdbqt | data/5S/5S9A-XZY/5S9A-XZY_decoys.pdbqt | data/5S/5S9A-XZY/5S9A-XZY_decoy_scores.csv |
5SGL-IXT | data/5S/5SGL-IXT/5SGL-IXT_ligand.pdbqt | data/5S/5SGL-IXT/5SGL-IXT_target.pdbqt | data/5S/5SGL-IXT/5SGL-IXT_decoys.pdbqt | data/5S/5SGL-IXT/5SGL-IXT_decoy_scores.csv |
5SDX-IAY | data/5S/5SDX-IAY/5SDX-IAY_ligand.pdbqt | data/5S/5SDX-IAY/5SDX-IAY_target.pdbqt | data/5S/5SDX-IAY/5SDX-IAY_decoys.pdbqt | data/5S/5SDX-IAY/5SDX-IAY_decoy_scores.csv |
5SYM-71Q | data/5S/5SYM-71Q/5SYM-71Q_ligand.pdbqt | data/5S/5SYM-71Q/5SYM-71Q_target.pdbqt | data/5S/5SYM-71Q/5SYM-71Q_decoys.pdbqt | data/5S/5SYM-71Q/5SYM-71Q_decoy_scores.csv |
5S7W-LU8 | data/5S/5S7W-LU8/5S7W-LU8_ligand.pdbqt | data/5S/5S7W-LU8/5S7W-LU8_target.pdbqt | data/5S/5S7W-LU8/5S7W-LU8_decoys.pdbqt | data/5S/5S7W-LU8/5S7W-LU8_decoy_scores.csv |
5S54-GTP | data/5S/5S54-GTP/5S54-GTP_ligand.pdbqt | data/5S/5S54-GTP/5S54-GTP_target.pdbqt | data/5S/5S54-GTP/5S54-GTP_decoys.pdbqt | data/5S/5S54-GTP/5S54-GTP_decoy_scores.csv |
5S3W-W2S | data/5S/5S3W-W2S/5S3W-W2S_ligand.pdbqt | data/5S/5S3W-W2S/5S3W-W2S_target.pdbqt | data/5S/5S3W-W2S/5S3W-W2S_decoys.pdbqt | data/5S/5S3W-W2S/5S3W-W2S_decoy_scores.csv |
5SFW-IQF | data/5S/5SFW-IQF/5SFW-IQF_ligand.pdbqt | data/5S/5SFW-IQF/5SFW-IQF_target.pdbqt | data/5S/5SFW-IQF/5SFW-IQF_decoys.pdbqt | data/5S/5SFW-IQF/5SFW-IQF_decoy_scores.csv |
5SL4-LHR | data/5S/5SL4-LHR/5SL4-LHR_ligand.pdbqt | data/5S/5SL4-LHR/5SL4-LHR_target.pdbqt | data/5S/5SL4-LHR/5SL4-LHR_decoys.pdbqt | data/5S/5SL4-LHR/5SL4-LHR_decoy_scores.csv |
5S7Q-LU8 | data/5S/5S7Q-LU8/5S7Q-LU8_ligand.pdbqt | data/5S/5S7Q-LU8/5S7Q-LU8_target.pdbqt | data/5S/5S7Q-LU8/5S7Q-LU8_decoys.pdbqt | data/5S/5S7Q-LU8/5S7Q-LU8_decoy_scores.csv |
5ST5-UXB | data/5S/5ST5-UXB/5ST5-UXB_ligand.pdbqt | data/5S/5ST5-UXB/5ST5-UXB_target.pdbqt | data/5S/5ST5-UXB/5ST5-UXB_decoys.pdbqt | data/5S/5ST5-UXB/5ST5-UXB_decoy_scores.csv |
5S1O-WQA | data/5S/5S1O-WQA/5S1O-WQA_ligand.pdbqt | data/5S/5S1O-WQA/5S1O-WQA_target.pdbqt | data/5S/5S1O-WQA/5S1O-WQA_decoys.pdbqt | data/5S/5S1O-WQA/5S1O-WQA_decoy_scores.csv |
5SBK-89W | data/5S/5SBK-89W/5SBK-89W_ligand.pdbqt | data/5S/5SBK-89W/5SBK-89W_target.pdbqt | data/5S/5SBK-89W/5SBK-89W_decoys.pdbqt | data/5S/5SBK-89W/5SBK-89W_decoy_scores.csv |
5SJV-K9F | data/5S/5SJV-K9F/5SJV-K9F_ligand.pdbqt | data/5S/5SJV-K9F/5SJV-K9F_target.pdbqt | data/5S/5SJV-K9F/5SJV-K9F_decoys.pdbqt | data/5S/5SJV-K9F/5SJV-K9F_decoy_scores.csv |
5STA-V8T | data/5S/5STA-V8T/5STA-V8T_ligand.pdbqt | data/5S/5STA-V8T/5STA-V8T_target.pdbqt | data/5S/5STA-V8T/5STA-V8T_decoys.pdbqt | data/5S/5STA-V8T/5STA-V8T_decoy_scores.csv |
5SCS-GYI | data/5S/5SCS-GYI/5SCS-GYI_ligand.pdbqt | data/5S/5SCS-GYI/5SCS-GYI_target.pdbqt | data/5S/5SCS-GYI/5SCS-GYI_decoys.pdbqt | data/5S/5SCS-GYI/5SCS-GYI_decoy_scores.csv |
5STZ-V9X | data/5S/5STZ-V9X/5STZ-V9X_ligand.pdbqt | data/5S/5STZ-V9X/5STZ-V9X_target.pdbqt | data/5S/5STZ-V9X/5STZ-V9X_decoys.pdbqt | data/5S/5STZ-V9X/5STZ-V9X_decoy_scores.csv |
5S58-ACP | data/5S/5S58-ACP/5S58-ACP_ligand.pdbqt | data/5S/5S58-ACP/5S58-ACP_target.pdbqt | data/5S/5S58-ACP/5S58-ACP_decoys.pdbqt | data/5S/5S58-ACP/5S58-ACP_decoy_scores.csv |
5SJ2-JWR | data/5S/5SJ2-JWR/5SJ2-JWR_ligand.pdbqt | data/5S/5SJ2-JWR/5SJ2-JWR_target.pdbqt | data/5S/5SJ2-JWR/5SJ2-JWR_decoys.pdbqt | data/5S/5SJ2-JWR/5SJ2-JWR_decoy_scores.csv |
5S9T-GQJ | data/5S/5S9T-GQJ/5S9T-GQJ_ligand.pdbqt | data/5S/5S9T-GQJ/5S9T-GQJ_target.pdbqt | data/5S/5S9T-GQJ/5S9T-GQJ_decoys.pdbqt | data/5S/5S9T-GQJ/5S9T-GQJ_decoy_scores.csv |
5SMC-LRF | data/5S/5SMC-LRF/5SMC-LRF_ligand.pdbqt | data/5S/5SMC-LRF/5SMC-LRF_target.pdbqt | data/5S/5SMC-LRF/5SMC-LRF_decoys.pdbqt | data/5S/5SMC-LRF/5SMC-LRF_decoy_scores.csv |
5SAU-1IF | data/5S/5SAU-1IF/5SAU-1IF_ligand.pdbqt | data/5S/5SAU-1IF/5SAU-1IF_target.pdbqt | data/5S/5SAU-1IF/5SAU-1IF_decoys.pdbqt | data/5S/5SAU-1IF/5SAU-1IF_decoy_scores.csv |
5SHM-JHX | data/5S/5SHM-JHX/5SHM-JHX_ligand.pdbqt | data/5S/5SHM-JHX/5SHM-JHX_target.pdbqt | data/5S/5SHM-JHX/5SHM-JHX_decoys.pdbqt | data/5S/5SHM-JHX/5SHM-JHX_decoy_scores.csv |
5SLV-EJQ | data/5S/5SLV-EJQ/5SLV-EJQ_ligand.pdbqt | data/5S/5SLV-EJQ/5SLV-EJQ_target.pdbqt | data/5S/5SLV-EJQ/5SLV-EJQ_decoys.pdbqt | data/5S/5SLV-EJQ/5SLV-EJQ_decoy_scores.csv |
5SIN-JQU | data/5S/5SIN-JQU/5SIN-JQU_ligand.pdbqt | data/5S/5SIN-JQU/5SIN-JQU_target.pdbqt | data/5S/5SIN-JQU/5SIN-JQU_decoys.pdbqt | data/5S/5SIN-JQU/5SIN-JQU_decoy_scores.csv |
5SMG-LR9 | data/5S/5SMG-LR9/5SMG-LR9_ligand.pdbqt | data/5S/5SMG-LR9/5SMG-LR9_target.pdbqt | data/5S/5SMG-LR9/5SMG-LR9_decoys.pdbqt | data/5S/5SMG-LR9/5SMG-LR9_decoy_scores.csv |
5SM7-LPU | data/5S/5SM7-LPU/5SM7-LPU_ligand.pdbqt | data/5S/5SM7-LPU/5SM7-LPU_target.pdbqt | data/5S/5SM7-LPU/5SM7-LPU_decoys.pdbqt | data/5S/5SM7-LPU/5SM7-LPU_decoy_scores.csv |
5SB3-47F | data/5S/5SB3-47F/5SB3-47F_ligand.pdbqt | data/5S/5SB3-47F/5SB3-47F_target.pdbqt | data/5S/5SB3-47F/5SB3-47F_decoys.pdbqt | data/5S/5SB3-47F/5SB3-47F_decoy_scores.csv |
5SB9-GDP | data/5S/5SB9-GDP/5SB9-GDP_ligand.pdbqt | data/5S/5SB9-GDP/5SB9-GDP_target.pdbqt | data/5S/5SB9-GDP/5SB9-GDP_decoys.pdbqt | data/5S/5SB9-GDP/5SB9-GDP_decoy_scores.csv |
5SG3-IVE | data/5S/5SG3-IVE/5SG3-IVE_ligand.pdbqt | data/5S/5SG3-IVE/5SG3-IVE_target.pdbqt | data/5S/5SG3-IVE/5SG3-IVE_decoys.pdbqt | data/5S/5SG3-IVE/5SG3-IVE_decoy_scores.csv |
5SA2-WKY | data/5S/5SA2-WKY/5SA2-WKY_ligand.pdbqt | data/5S/5SA2-WKY/5SA2-WKY_target.pdbqt | data/5S/5SA2-WKY/5SA2-WKY_decoys.pdbqt | data/5S/5SA2-WKY/5SA2-WKY_decoy_scores.csv |
5SGO-IYA | data/5S/5SGO-IYA/5SGO-IYA_ligand.pdbqt | data/5S/5SGO-IYA/5SGO-IYA_target.pdbqt | data/5S/5SGO-IYA/5SGO-IYA_decoys.pdbqt | data/5S/5SGO-IYA/5SGO-IYA_decoy_scores.csv |
5SI0-JKD | data/5S/5SI0-JKD/5SI0-JKD_ligand.pdbqt | data/5S/5SI0-JKD/5SI0-JKD_target.pdbqt | data/5S/5SI0-JKD/5SI0-JKD_decoys.pdbqt | data/5S/5SI0-JKD/5SI0-JKD_decoy_scores.csv |
5SI8-JMU | data/5S/5SI8-JMU/5SI8-JMU_ligand.pdbqt | data/5S/5SI8-JMU/5SI8-JMU_target.pdbqt | data/5S/5SI8-JMU/5SI8-JMU_decoys.pdbqt | data/5S/5SI8-JMU/5SI8-JMU_decoy_scores.csv |
5SGK-IXL | data/5S/5SGK-IXL/5SGK-IXL_ligand.pdbqt | data/5S/5SGK-IXL/5SGK-IXL_target.pdbqt | data/5S/5SGK-IXL/5SGK-IXL_decoys.pdbqt | data/5S/5SGK-IXL/5SGK-IXL_decoy_scores.csv |
5SJE-K1I | data/5S/5SJE-K1I/5SJE-K1I_ligand.pdbqt | data/5S/5SJE-K1I/5SJE-K1I_target.pdbqt | data/5S/5SJE-K1I/5SJE-K1I_decoys.pdbqt | data/5S/5SJE-K1I/5SJE-K1I_decoy_scores.csv |
5SJK-K40 | data/5S/5SJK-K40/5SJK-K40_ligand.pdbqt | data/5S/5SJK-K40/5SJK-K40_target.pdbqt | data/5S/5SJK-K40/5SJK-K40_decoys.pdbqt | data/5S/5SJK-K40/5SJK-K40_decoy_scores.csv |
5SLP-UWY | data/5S/5SLP-UWY/5SLP-UWY_ligand.pdbqt | data/5S/5SLP-UWY/5SLP-UWY_target.pdbqt | data/5S/5SLP-UWY/5SLP-UWY_decoys.pdbqt | data/5S/5SLP-UWY/5SLP-UWY_decoy_scores.csv |
5S7J-LU8 | data/5S/5S7J-LU8/5S7J-LU8_ligand.pdbqt | data/5S/5S7J-LU8/5S7J-LU8_target.pdbqt | data/5S/5S7J-LU8/5S7J-LU8_decoys.pdbqt | data/5S/5S7J-LU8/5S7J-LU8_decoy_scores.csv |
5SE3-ICK | data/5S/5SE3-ICK/5SE3-ICK_ligand.pdbqt | data/5S/5SE3-ICK/5SE3-ICK_target.pdbqt | data/5S/5SE3-ICK/5SE3-ICK_decoys.pdbqt | data/5S/5SE3-ICK/5SE3-ICK_decoy_scores.csv |
5SKL-KH6 | data/5S/5SKL-KH6/5SKL-KH6_ligand.pdbqt | data/5S/5SKL-KH6/5SKL-KH6_target.pdbqt | data/5S/5SKL-KH6/5SKL-KH6_decoys.pdbqt | data/5S/5SKL-KH6/5SKL-KH6_decoy_scores.csv |
5SAY-1IJ | data/5S/5SAY-1IJ/5SAY-1IJ_ligand.pdbqt | data/5S/5SAY-1IJ/5SAY-1IJ_target.pdbqt | data/5S/5SAY-1IJ/5SAY-1IJ_decoys.pdbqt | data/5S/5SAY-1IJ/5SAY-1IJ_decoy_scores.csv |
5S7X-LU8 | data/5S/5S7X-LU8/5S7X-LU8_ligand.pdbqt | data/5S/5S7X-LU8/5S7X-LU8_target.pdbqt | data/5S/5S7X-LU8/5S7X-LU8_decoys.pdbqt | data/5S/5S7X-LU8/5S7X-LU8_decoy_scores.csv |
5ST1-UVO | data/5S/5ST1-UVO/5ST1-UVO_ligand.pdbqt | data/5S/5ST1-UVO/5ST1-UVO_target.pdbqt | data/5S/5ST1-UVO/5ST1-UVO_decoys.pdbqt | data/5S/5ST1-UVO/5ST1-UVO_decoy_scores.csv |
5SAS-ZSS | data/5S/5SAS-ZSS/5SAS-ZSS_ligand.pdbqt | data/5S/5SAS-ZSS/5SAS-ZSS_target.pdbqt | data/5S/5SAS-ZSS/5SAS-ZSS_decoys.pdbqt | data/5S/5SAS-ZSS/5SAS-ZSS_decoy_scores.csv |
5SLW-U0V | data/5S/5SLW-U0V/5SLW-U0V_ligand.pdbqt | data/5S/5SLW-U0V/5SLW-U0V_target.pdbqt | data/5S/5SLW-U0V/5SLW-U0V_decoys.pdbqt | data/5S/5SLW-U0V/5SLW-U0V_decoy_scores.csv |
5SHC-JDU | data/5S/5SHC-JDU/5SHC-JDU_ligand.pdbqt | data/5S/5SHC-JDU/5SHC-JDU_target.pdbqt | data/5S/5SHC-JDU/5SHC-JDU_decoys.pdbqt | data/5S/5SHC-JDU/5SHC-JDU_decoy_scores.csv |
5S8L-12Q | data/5S/5S8L-12Q/5S8L-12Q_ligand.pdbqt | data/5S/5S8L-12Q/5S8L-12Q_target.pdbqt | data/5S/5S8L-12Q/5S8L-12Q_decoys.pdbqt | data/5S/5S8L-12Q/5S8L-12Q_decoy_scores.csv |
5SG7-IVY | data/5S/5SG7-IVY/5SG7-IVY_ligand.pdbqt | data/5S/5SG7-IVY/5SG7-IVY_target.pdbqt | data/5S/5SG7-IVY/5SG7-IVY_decoys.pdbqt | data/5S/5SG7-IVY/5SG7-IVY_decoy_scores.csv |
5S7G-LU8 | data/5S/5S7G-LU8/5S7G-LU8_ligand.pdbqt | data/5S/5S7G-LU8/5S7G-LU8_target.pdbqt | data/5S/5S7G-LU8/5S7G-LU8_decoys.pdbqt | data/5S/5S7G-LU8/5S7G-LU8_decoy_scores.csv |
5SC6-8CH | data/5S/5SC6-8CH/5SC6-8CH_ligand.pdbqt | data/5S/5SC6-8CH/5SC6-8CH_target.pdbqt | data/5S/5SC6-8CH/5SC6-8CH_decoys.pdbqt | data/5S/5SC6-8CH/5SC6-8CH_decoy_scores.csv |
5S5Q-GDP | data/5S/5S5Q-GDP/5S5Q-GDP_ligand.pdbqt | data/5S/5S5Q-GDP/5S5Q-GDP_target.pdbqt | data/5S/5S5Q-GDP/5S5Q-GDP_decoys.pdbqt | data/5S/5S5Q-GDP/5S5Q-GDP_decoy_scores.csv |
5SIM-JQL | data/5S/5SIM-JQL/5SIM-JQL_ligand.pdbqt | data/5S/5SIM-JQL/5SIM-JQL_target.pdbqt | data/5S/5SIM-JQL/5SIM-JQL_decoys.pdbqt | data/5S/5SIM-JQL/5SIM-JQL_decoy_scores.csv |
5SFJ-IKZ | data/5S/5SFJ-IKZ/5SFJ-IKZ_ligand.pdbqt | data/5S/5SFJ-IKZ/5SFJ-IKZ_target.pdbqt | data/5S/5SFJ-IKZ/5SFJ-IKZ_decoys.pdbqt | data/5S/5SFJ-IKZ/5SFJ-IKZ_decoy_scores.csv |
5SAA-ZQD | data/5S/5SAA-ZQD/5SAA-ZQD_ligand.pdbqt | data/5S/5SAA-ZQD/5SAA-ZQD_target.pdbqt | data/5S/5SAA-ZQD/5SAA-ZQD_decoys.pdbqt | data/5S/5SAA-ZQD/5SAA-ZQD_decoy_scores.csv |
5S4F-W3P | data/5S/5S4F-W3P/5S4F-W3P_ligand.pdbqt | data/5S/5S4F-W3P/5S4F-W3P_target.pdbqt | data/5S/5S4F-W3P/5S4F-W3P_decoys.pdbqt | data/5S/5S4F-W3P/5S4F-W3P_decoy_scores.csv |
5S51-GTP | data/5S/5S51-GTP/5S51-GTP_ligand.pdbqt | data/5S/5S51-GTP/5S51-GTP_target.pdbqt | data/5S/5S51-GTP/5S51-GTP_decoys.pdbqt | data/5S/5S51-GTP/5S51-GTP_decoy_scores.csv |
5SXT-NIZ | data/5S/5SXT-NIZ/5SXT-NIZ_ligand.pdbqt | data/5S/5SXT-NIZ/5SXT-NIZ_target.pdbqt | data/5S/5SXT-NIZ/5SXT-NIZ_decoys.pdbqt | data/5S/5SXT-NIZ/5SXT-NIZ_decoy_scores.csv |
5S27-WSM | data/5S/5S27-WSM/5S27-WSM_ligand.pdbqt | data/5S/5S27-WSM/5S27-WSM_target.pdbqt | data/5S/5S27-WSM/5S27-WSM_decoys.pdbqt | data/5S/5S27-WSM/5S27-WSM_decoy_scores.csv |
5SHJ-JGI | data/5S/5SHJ-JGI/5SHJ-JGI_ligand.pdbqt | data/5S/5SHJ-JGI/5SHJ-JGI_target.pdbqt | data/5S/5SHJ-JGI/5SHJ-JGI_decoys.pdbqt | data/5S/5SHJ-JGI/5SHJ-JGI_decoy_scores.csv |
5SH9-JAP | data/5S/5SH9-JAP/5SH9-JAP_ligand.pdbqt | data/5S/5SH9-JAP/5SH9-JAP_target.pdbqt | data/5S/5SH9-JAP/5SH9-JAP_decoys.pdbqt | data/5S/5SH9-JAP/5SH9-JAP_decoy_scores.csv |
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