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 ⌀ |
|---|---|---|---|---|
3NGN-AMP | data/3N/3NGN-AMP/3NGN-AMP_ligand.pdbqt | data/3N/3NGN-AMP/3NGN-AMP_target.pdbqt | data/3N/3NGN-AMP/3NGN-AMP_decoys.pdbqt | data/3N/3NGN-AMP/3NGN-AMP_decoy_scores.csv |
3NW3-DGN | data/3N/3NW3-DGN/3NW3-DGN_ligand.pdbqt | data/3N/3NW3-DGN/3NW3-DGN_target.pdbqt | data/3N/3NW3-DGN/3NW3-DGN_decoys.pdbqt | data/3N/3NW3-DGN/3NW3-DGN_decoy_scores.csv |
3NKT-1HN | data/3N/3NKT-1HN/3NKT-1HN_ligand.pdbqt | data/3N/3NKT-1HN/3NKT-1HN_target.pdbqt | data/3N/3NKT-1HN/3NKT-1HN_decoys.pdbqt | data/3N/3NKT-1HN/3NKT-1HN_decoy_scores.csv |
3NWE-662 | data/3N/3NWE-662/3NWE-662_ligand.pdbqt | data/3N/3NWE-662/3NWE-662_target.pdbqt | data/3N/3NWE-662/3NWE-662_decoys.pdbqt | data/3N/3NWE-662/3NWE-662_decoy_scores.csv |
3N19-FNR | data/3N/3N19-FNR/3N19-FNR_ligand.pdbqt | data/3N/3N19-FNR/3N19-FNR_target.pdbqt | data/3N/3N19-FNR/3N19-FNR_decoys.pdbqt | data/3N/3N19-FNR/3N19-FNR_decoy_scores.csv |
3N5S-H4B | data/3N/3N5S-H4B/3N5S-H4B_ligand.pdbqt | data/3N/3N5S-H4B/3N5S-H4B_target.pdbqt | null | null |
3NEM-ATP | data/3N/3NEM-ATP/3NEM-ATP_ligand.pdbqt | data/3N/3NEM-ATP/3NEM-ATP_target.pdbqt | data/3N/3NEM-ATP/3NEM-ATP_decoys.pdbqt | data/3N/3NEM-ATP/3NEM-ATP_decoy_scores.csv |
3NUU-JOZ | data/3N/3NUU-JOZ/3NUU-JOZ_ligand.pdbqt | data/3N/3NUU-JOZ/3NUU-JOZ_target.pdbqt | data/3N/3NUU-JOZ/3NUU-JOZ_decoys.pdbqt | data/3N/3NUU-JOZ/3NUU-JOZ_decoy_scores.csv |
3N3T-C2E | data/3N/3N3T-C2E/3N3T-C2E_ligand.pdbqt | data/3N/3N3T-C2E/3N3T-C2E_target.pdbqt | data/3N/3N3T-C2E/3N3T-C2E_decoys.pdbqt | data/3N/3N3T-C2E/3N3T-C2E_decoy_scores.csv |
3NS0-LI1 | data/3N/3NS0-LI1/3NS0-LI1_ligand.pdbqt | data/3N/3NS0-LI1/3NS0-LI1_target.pdbqt | data/3N/3NS0-LI1/3NS0-LI1_decoys.pdbqt | data/3N/3NS0-LI1/3NS0-LI1_decoy_scores.csv |
3NTP-PE8 | data/3N/3NTP-PE8/3NTP-PE8_ligand.pdbqt | data/3N/3NTP-PE8/3NTP-PE8_target.pdbqt | data/3N/3NTP-PE8/3NTP-PE8_decoys.pdbqt | data/3N/3NTP-PE8/3NTP-PE8_decoy_scores.csv |
3N8N-N88 | data/3N/3N8N-N88/3N8N-N88_ligand.pdbqt | data/3N/3N8N-N88/3N8N-N88_target.pdbqt | data/3N/3N8N-N88/3N8N-N88_decoys.pdbqt | data/3N/3N8N-N88/3N8N-N88_decoy_scores.csv |
3NV8-PEP | data/3N/3NV8-PEP/3NV8-PEP_ligand.pdbqt | data/3N/3NV8-PEP/3NV8-PEP_target.pdbqt | data/3N/3NV8-PEP/3NV8-PEP_decoys.pdbqt | data/3N/3NV8-PEP/3NV8-PEP_decoy_scores.csv |
3NMI-PXX | data/3N/3NMI-PXX/3NMI-PXX_ligand.pdbqt | data/3N/3NMI-PXX/3NMI-PXX_target.pdbqt | data/3N/3NMI-PXX/3NMI-PXX_decoys.pdbqt | data/3N/3NMI-PXX/3NMI-PXX_decoy_scores.csv |
3N5V-XFH | data/3N/3N5V-XFH/3N5V-XFH_ligand.pdbqt | data/3N/3N5V-XFH/3N5V-XFH_target.pdbqt | data/3N/3N5V-XFH/3N5V-XFH_decoys.pdbqt | data/3N/3N5V-XFH/3N5V-XFH_decoy_scores.csv |
3NU7-PMP | data/3N/3NU7-PMP/3NU7-PMP_ligand.pdbqt | data/3N/3NU7-PMP/3NU7-PMP_target.pdbqt | data/3N/3NU7-PMP/3NU7-PMP_decoys.pdbqt | data/3N/3NU7-PMP/3NU7-PMP_decoy_scores.csv |
3NSE-ARG | data/3N/3NSE-ARG/3NSE-ARG_ligand.pdbqt | data/3N/3NSE-ARG/3NSE-ARG_target.pdbqt | data/3N/3NSE-ARG/3NSE-ARG_decoys.pdbqt | data/3N/3NSE-ARG/3NSE-ARG_decoy_scores.csv |
3N98-BGC | data/3N/3N98-BGC/3N98-BGC_ligand.pdbqt | data/3N/3N98-BGC/3N98-BGC_target.pdbqt | data/3N/3N98-BGC/3N98-BGC_decoys.pdbqt | data/3N/3N98-BGC/3N98-BGC_decoy_scores.csv |
3NLQ-JRR | data/3N/3NLQ-JRR/3NLQ-JRR_ligand.pdbqt | data/3N/3NLQ-JRR/3NLQ-JRR_target.pdbqt | data/3N/3NLQ-JRR/3NLQ-JRR_decoys.pdbqt | data/3N/3NLQ-JRR/3NLQ-JRR_decoy_scores.csv |
3NES-B72 | data/3N/3NES-B72/3NES-B72_ligand.pdbqt | data/3N/3NES-B72/3NES-B72_target.pdbqt | data/3N/3NES-B72/3NES-B72_decoys.pdbqt | data/3N/3NES-B72/3NES-B72_decoy_scores.csv |
3NH9-ATP | data/3N/3NH9-ATP/3NH9-ATP_ligand.pdbqt | data/3N/3NH9-ATP/3NH9-ATP_target.pdbqt | data/3N/3NH9-ATP/3NH9-ATP_decoys.pdbqt | data/3N/3NH9-ATP/3NH9-ATP_decoy_scores.csv |
3NQC-BMP | data/3N/3NQC-BMP/3NQC-BMP_ligand.pdbqt | data/3N/3NQC-BMP/3NQC-BMP_target.pdbqt | data/3N/3NQC-BMP/3NQC-BMP_decoys.pdbqt | data/3N/3NQC-BMP/3NQC-BMP_decoy_scores.csv |
3N4B-WWZ | data/3N/3N4B-WWZ/3N4B-WWZ_ligand.pdbqt | data/3N/3N4B-WWZ/3N4B-WWZ_target.pdbqt | data/3N/3N4B-WWZ/3N4B-WWZ_decoys.pdbqt | data/3N/3N4B-WWZ/3N4B-WWZ_decoy_scores.csv |
3NM5-FMC | data/3N/3NM5-FMC/3NM5-FMC_ligand.pdbqt | data/3N/3NM5-FMC/3NM5-FMC_target.pdbqt | data/3N/3NM5-FMC/3NM5-FMC_decoys.pdbqt | data/3N/3NM5-FMC/3NM5-FMC_decoy_scores.csv |
3ND6-ATP | data/3N/3ND6-ATP/3ND6-ATP_ligand.pdbqt | data/3N/3ND6-ATP/3ND6-ATP_target.pdbqt | data/3N/3ND6-ATP/3ND6-ATP_decoys.pdbqt | data/3N/3ND6-ATP/3ND6-ATP_decoy_scores.csv |
3NHJ-A2Z | data/3N/3NHJ-A2Z/3NHJ-A2Z_ligand.pdbqt | data/3N/3NHJ-A2Z/3NHJ-A2Z_target.pdbqt | data/3N/3NHJ-A2Z/3NHJ-A2Z_decoys.pdbqt | data/3N/3NHJ-A2Z/3NHJ-A2Z_decoy_scores.csv |
3N3G-93N | data/3N/3N3G-93N/3N3G-93N_ligand.pdbqt | data/3N/3N3G-93N/3N3G-93N_target.pdbqt | data/3N/3N3G-93N/3N3G-93N_decoys.pdbqt | data/3N/3N3G-93N/3N3G-93N_decoy_scores.csv |
3NOK-DDQ | data/3N/3NOK-DDQ/3NOK-DDQ_ligand.pdbqt | data/3N/3NOK-DDQ/3NOK-DDQ_target.pdbqt | data/3N/3NOK-DDQ/3NOK-DDQ_decoys.pdbqt | data/3N/3NOK-DDQ/3NOK-DDQ_decoy_scores.csv |
3NUA-AMP | data/3N/3NUA-AMP/3NUA-AMP_ligand.pdbqt | data/3N/3NUA-AMP/3NUA-AMP_target.pdbqt | data/3N/3NUA-AMP/3NUA-AMP_decoys.pdbqt | data/3N/3NUA-AMP/3NUA-AMP_decoy_scores.csv |
3NJQ-NJQ | data/3N/3NJQ-NJQ/3NJQ-NJQ_ligand.pdbqt | data/3N/3NJQ-NJQ/3NJQ-NJQ_target.pdbqt | data/3N/3NJQ-NJQ/3NJQ-NJQ_decoys.pdbqt | data/3N/3NJQ-NJQ/3NJQ-NJQ_decoy_scores.csv |
3NDV-NDV | data/3N/3NDV-NDV/3NDV-NDV_ligand.pdbqt | data/3N/3NDV-NDV/3NDV-NDV_target.pdbqt | data/3N/3NDV-NDV/3NDV-NDV_decoys.pdbqt | data/3N/3NDV-NDV/3NDV-NDV_decoy_scores.csv |
3NK8-JKZ | data/3N/3NK8-JKZ/3NK8-JKZ_ligand.pdbqt | data/3N/3NK8-JKZ/3NK8-JKZ_target.pdbqt | data/3N/3NK8-JKZ/3NK8-JKZ_decoys.pdbqt | data/3N/3NK8-JKZ/3NK8-JKZ_decoy_scores.csv |
3N65-H4B | data/3N/3N65-H4B/3N65-H4B_ligand.pdbqt | data/3N/3N65-H4B/3N65-H4B_target.pdbqt | data/3N/3N65-H4B/3N65-H4B_decoys.pdbqt | data/3N/3N65-H4B/3N65-H4B_decoy_scores.csv |
3NZT-AMP | data/3N/3NZT-AMP/3NZT-AMP_ligand.pdbqt | data/3N/3NZT-AMP/3NZT-AMP_target.pdbqt | data/3N/3NZT-AMP/3NZT-AMP_decoys.pdbqt | data/3N/3NZT-AMP/3NZT-AMP_decoy_scores.csv |
3NWE-NHE | data/3N/3NWE-NHE/3NWE-NHE_ligand.pdbqt | data/3N/3NWE-NHE/3NWE-NHE_target.pdbqt | data/3N/3NWE-NHE/3NWE-NHE_decoys.pdbqt | data/3N/3NWE-NHE/3NWE-NHE_decoy_scores.csv |
3NWB-659 | data/3N/3NWB-659/3NWB-659_ligand.pdbqt | data/3N/3NWB-659/3NWB-659_target.pdbqt | data/3N/3NWB-659/3NWB-659_decoys.pdbqt | data/3N/3NWB-659/3NWB-659_decoy_scores.csv |
3N1A-CHQ | data/3N/3N1A-CHQ/3N1A-CHQ_ligand.pdbqt | data/3N/3N1A-CHQ/3N1A-CHQ_target.pdbqt | data/3N/3N1A-CHQ/3N1A-CHQ_decoys.pdbqt | data/3N/3N1A-CHQ/3N1A-CHQ_decoy_scores.csv |
3N67-H4B | data/3N/3N67-H4B/3N67-H4B_ligand.pdbqt | data/3N/3N67-H4B/3N67-H4B_target.pdbqt | null | null |
3NLZ-H4B | data/3N/3NLZ-H4B/3NLZ-H4B_ligand.pdbqt | data/3N/3NLZ-H4B/3NLZ-H4B_target.pdbqt | data/3N/3NLZ-H4B/3NLZ-H4B_decoys.pdbqt | data/3N/3NLZ-H4B/3NLZ-H4B_decoy_scores.csv |
3N9S-TD4 | data/3N/3N9S-TD4/3N9S-TD4_ligand.pdbqt | data/3N/3N9S-TD4/3N9S-TD4_target.pdbqt | data/3N/3N9S-TD4/3N9S-TD4_decoys.pdbqt | data/3N/3N9S-TD4/3N9S-TD4_decoy_scores.csv |
3NLV-3XA | data/3N/3NLV-3XA/3NLV-3XA_ligand.pdbqt | data/3N/3NLV-3XA/3NLV-3XA_target.pdbqt | data/3N/3NLV-3XA/3NLV-3XA_decoys.pdbqt | data/3N/3NLV-3XA/3NLV-3XA_decoy_scores.csv |
3N6M-GTP | data/3N/3N6M-GTP/3N6M-GTP_ligand.pdbqt | data/3N/3N6M-GTP/3N6M-GTP_target.pdbqt | data/3N/3N6M-GTP/3N6M-GTP_decoys.pdbqt | data/3N/3N6M-GTP/3N6M-GTP_decoy_scores.csv |
3NMH-PYV | data/3N/3NMH-PYV/3NMH-PYV_ligand.pdbqt | data/3N/3NMH-PYV/3NMH-PYV_target.pdbqt | data/3N/3NMH-PYV/3NMH-PYV_decoys.pdbqt | data/3N/3NMH-PYV/3NMH-PYV_decoy_scores.csv |
3NR4-PYV | data/3N/3NR4-PYV/3NR4-PYV_ligand.pdbqt | data/3N/3NR4-PYV/3NR4-PYV_target.pdbqt | data/3N/3NR4-PYV/3NR4-PYV_decoys.pdbqt | data/3N/3NR4-PYV/3NR4-PYV_decoy_scores.csv |
3N83-ADP | data/3N/3N83-ADP/3N83-ADP_ligand.pdbqt | data/3N/3N83-ADP/3N83-ADP_target.pdbqt | data/3N/3N83-ADP/3N83-ADP_decoys.pdbqt | data/3N/3N83-ADP/3N83-ADP_decoy_scores.csv |
3NCG-BK1 | data/3N/3NCG-BK1/3NCG-BK1_ligand.pdbqt | data/3N/3NCG-BK1/3NCG-BK1_target.pdbqt | data/3N/3NCG-BK1/3NCG-BK1_decoys.pdbqt | data/3N/3NCG-BK1/3NCG-BK1_decoy_scores.csv |
3N35-A2G | data/3N/3N35-A2G/3N35-A2G_ligand.pdbqt | data/3N/3N35-A2G/3N35-A2G_target.pdbqt | data/3N/3N35-A2G/3N35-A2G_decoys.pdbqt | data/3N/3N35-A2G/3N35-A2G_decoy_scores.csv |
3N3B-FMN | data/3N/3N3B-FMN/3N3B-FMN_ligand.pdbqt | data/3N/3N3B-FMN/3N3B-FMN_target.pdbqt | data/3N/3N3B-FMN/3N3B-FMN_decoys.pdbqt | data/3N/3N3B-FMN/3N3B-FMN_decoy_scores.csv |
3NX2-FER | data/3N/3NX2-FER/3NX2-FER_ligand.pdbqt | data/3N/3NX2-FER/3NX2-FER_target.pdbqt | data/3N/3NX2-FER/3NX2-FER_decoys.pdbqt | data/3N/3NX2-FER/3NX2-FER_decoy_scores.csv |
3N36-GLA | data/3N/3N36-GLA/3N36-GLA_ligand.pdbqt | data/3N/3N36-GLA/3N36-GLA_target.pdbqt | data/3N/3N36-GLA/3N36-GLA_decoys.pdbqt | data/3N/3N36-GLA/3N36-GLA_decoy_scores.csv |
3NA5-BTB | data/3N/3NA5-BTB/3NA5-BTB_ligand.pdbqt | data/3N/3NA5-BTB/3NA5-BTB_target.pdbqt | data/3N/3NA5-BTB/3NA5-BTB_decoys.pdbqt | data/3N/3NA5-BTB/3NA5-BTB_decoy_scores.csv |
3NHA-ADP | data/3N/3NHA-ADP/3NHA-ADP_ligand.pdbqt | data/3N/3NHA-ADP/3NHA-ADP_target.pdbqt | data/3N/3NHA-ADP/3NHA-ADP_decoys.pdbqt | data/3N/3NHA-ADP/3NHA-ADP_decoy_scores.csv |
3NNX-EDD | data/3N/3NNX-EDD/3NNX-EDD_ligand.pdbqt | data/3N/3NNX-EDD/3NNX-EDD_target.pdbqt | data/3N/3NNX-EDD/3NNX-EDD_decoys.pdbqt | data/3N/3NNX-EDD/3NNX-EDD_decoy_scores.csv |
3NEH-L3A | data/3N/3NEH-L3A/3NEH-L3A_ligand.pdbqt | data/3N/3NEH-L3A/3NEH-L3A_target.pdbqt | data/3N/3NEH-L3A/3NEH-L3A_decoys.pdbqt | data/3N/3NEH-L3A/3NEH-L3A_decoy_scores.csv |
3NVY-MTE | data/3N/3NVY-MTE/3NVY-MTE_ligand.pdbqt | data/3N/3NVY-MTE/3NVY-MTE_target.pdbqt | null | null |
3NH3-HNM | data/3N/3NH3-HNM/3NH3-HNM_ligand.pdbqt | data/3N/3NH3-HNM/3NH3-HNM_target.pdbqt | data/3N/3NH3-HNM/3NH3-HNM_decoys.pdbqt | data/3N/3NH3-HNM/3NH3-HNM_decoy_scores.csv |
3NYI-STE | data/3N/3NYI-STE/3NYI-STE_ligand.pdbqt | data/3N/3NYI-STE/3NYI-STE_target.pdbqt | data/3N/3NYI-STE/3NYI-STE_decoys.pdbqt | data/3N/3NYI-STE/3NYI-STE_decoy_scores.csv |
3NI2-AYL | data/3N/3NI2-AYL/3NI2-AYL_ligand.pdbqt | data/3N/3NI2-AYL/3NI2-AYL_target.pdbqt | data/3N/3NI2-AYL/3NI2-AYL_decoys.pdbqt | data/3N/3NI2-AYL/3NI2-AYL_decoy_scores.csv |
3N8L-AIX | data/3N/3N8L-AIX/3N8L-AIX_ligand.pdbqt | data/3N/3N8L-AIX/3N8L-AIX_target.pdbqt | data/3N/3N8L-AIX/3N8L-AIX_decoys.pdbqt | data/3N/3N8L-AIX/3N8L-AIX_decoy_scores.csv |
3NHU-M42 | data/3N/3NHU-M42/3NHU-M42_ligand.pdbqt | data/3N/3NHU-M42/3NHU-M42_target.pdbqt | data/3N/3NHU-M42/3NHU-M42_decoys.pdbqt | data/3N/3NHU-M42/3NHU-M42_decoy_scores.csv |
3NHY-A7B | data/3N/3NHY-A7B/3NHY-A7B_ligand.pdbqt | data/3N/3NHY-A7B/3NHY-A7B_target.pdbqt | data/3N/3NHY-A7B/3NHY-A7B_decoys.pdbqt | data/3N/3NHY-A7B/3NHY-A7B_decoy_scores.csv |
3NKV-GNP | data/3N/3NKV-GNP/3NKV-GNP_ligand.pdbqt | data/3N/3NKV-GNP/3NKV-GNP_target.pdbqt | null | null |
3NZK-C90 | data/3N/3NZK-C90/3NZK-C90_ligand.pdbqt | data/3N/3NZK-C90/3NZK-C90_target.pdbqt | data/3N/3NZK-C90/3NZK-C90_decoys.pdbqt | data/3N/3NZK-C90/3NZK-C90_decoy_scores.csv |
3NQ3-DKA | data/3N/3NQ3-DKA/3NQ3-DKA_ligand.pdbqt | data/3N/3NQ3-DKA/3NQ3-DKA_target.pdbqt | data/3N/3NQ3-DKA/3NQ3-DKA_decoys.pdbqt | data/3N/3NQ3-DKA/3NQ3-DKA_decoy_scores.csv |
3NBW-TR4 | data/3N/3NBW-TR4/3NBW-TR4_ligand.pdbqt | data/3N/3NBW-TR4/3NBW-TR4_target.pdbqt | data/3N/3NBW-TR4/3NBW-TR4_decoys.pdbqt | data/3N/3NBW-TR4/3NBW-TR4_decoy_scores.csv |
3N5B-ADP | data/3N/3N5B-ADP/3N5B-ADP_ligand.pdbqt | data/3N/3N5B-ADP/3N5B-ADP_target.pdbqt | data/3N/3N5B-ADP/3N5B-ADP_decoys.pdbqt | data/3N/3N5B-ADP/3N5B-ADP_decoy_scores.csv |
3NLK-H4B | data/3N/3NLK-H4B/3NLK-H4B_ligand.pdbqt | data/3N/3NLK-H4B/3NLK-H4B_target.pdbqt | data/3N/3NLK-H4B/3NLK-H4B_decoys.pdbqt | data/3N/3NLK-H4B/3NLK-H4B_decoy_scores.csv |
3NC4-26O | data/3N/3NC4-26O/3NC4-26O_ligand.pdbqt | data/3N/3NC4-26O/3NC4-26O_target.pdbqt | data/3N/3NC4-26O/3NC4-26O_decoys.pdbqt | data/3N/3NC4-26O/3NC4-26O_decoy_scores.csv |
3N5S-XFK | data/3N/3N5S-XFK/3N5S-XFK_ligand.pdbqt | data/3N/3N5S-XFK/3N5S-XFK_target.pdbqt | null | null |
3NDG-7EP | data/3N/3NDG-7EP/3NDG-7EP_ligand.pdbqt | data/3N/3NDG-7EP/3NDG-7EP_target.pdbqt | data/3N/3NDG-7EP/3NDG-7EP_decoys.pdbqt | data/3N/3NDG-7EP/3NDG-7EP_decoy_scores.csv |
3NUJ-478 | data/3N/3NUJ-478/3NUJ-478_ligand.pdbqt | data/3N/3NUJ-478/3NUJ-478_target.pdbqt | data/3N/3NUJ-478/3NUJ-478_decoys.pdbqt | data/3N/3NUJ-478/3NUJ-478_decoy_scores.csv |
3NVS-S3P | data/3N/3NVS-S3P/3NVS-S3P_ligand.pdbqt | data/3N/3NVS-S3P/3NVS-S3P_target.pdbqt | data/3N/3NVS-S3P/3NVS-S3P_decoys.pdbqt | data/3N/3NVS-S3P/3NVS-S3P_decoy_scores.csv |
3NK1-GP7 | data/3N/3NK1-GP7/3NK1-GP7_ligand.pdbqt | data/3N/3NK1-GP7/3NK1-GP7_target.pdbqt | data/3N/3NK1-GP7/3NK1-GP7_decoys.pdbqt | data/3N/3NK1-GP7/3NK1-GP7_decoy_scores.csv |
3NB5-R21 | data/3N/3NB5-R21/3NB5-R21_ligand.pdbqt | data/3N/3NB5-R21/3NB5-R21_target.pdbqt | data/3N/3NB5-R21/3NB5-R21_decoys.pdbqt | data/3N/3NB5-R21/3NB5-R21_decoy_scores.csv |
3NVQ-NDG | data/3N/3NVQ-NDG/3NVQ-NDG_ligand.pdbqt | data/3N/3NVQ-NDG/3NVQ-NDG_target.pdbqt | data/3N/3NVQ-NDG/3NVQ-NDG_decoys.pdbqt | data/3N/3NVQ-NDG/3NVQ-NDG_decoy_scores.csv |
3N61-H4B | data/3N/3N61-H4B/3N61-H4B_ligand.pdbqt | data/3N/3N61-H4B/3N61-H4B_target.pdbqt | data/3N/3N61-H4B/3N61-H4B_decoys.pdbqt | data/3N/3N61-H4B/3N61-H4B_decoy_scores.csv |
3NLD-JSS | data/3N/3NLD-JSS/3NLD-JSS_ligand.pdbqt | data/3N/3NLD-JSS/3NLD-JSS_target.pdbqt | null | null |
3NLJ-H4B | data/3N/3NLJ-H4B/3NLJ-H4B_ligand.pdbqt | data/3N/3NLJ-H4B/3NLJ-H4B_target.pdbqt | data/3N/3NLJ-H4B/3NLJ-H4B_decoys.pdbqt | data/3N/3NLJ-H4B/3NLJ-H4B_decoy_scores.csv |
3NK9-THP | data/3N/3NK9-THP/3NK9-THP_ligand.pdbqt | data/3N/3NK9-THP/3NK9-THP_target.pdbqt | data/3N/3NK9-THP/3NK9-THP_decoys.pdbqt | data/3N/3NK9-THP/3NK9-THP_decoy_scores.csv |
3NHI-EAH | data/3N/3NHI-EAH/3NHI-EAH_ligand.pdbqt | data/3N/3NHI-EAH/3NHI-EAH_target.pdbqt | data/3N/3NHI-EAH/3NHI-EAH_decoys.pdbqt | data/3N/3NHI-EAH/3NHI-EAH_decoy_scores.csv |
3NLW-H4B | data/3N/3NLW-H4B/3NLW-H4B_ligand.pdbqt | data/3N/3NLW-H4B/3NLW-H4B_target.pdbqt | data/3N/3NLW-H4B/3NLW-H4B_decoys.pdbqt | data/3N/3NLW-H4B/3NLW-H4B_decoy_scores.csv |
3N5Z-H4B | data/3N/3N5Z-H4B/3N5Z-H4B_ligand.pdbqt | data/3N/3N5Z-H4B/3N5Z-H4B_target.pdbqt | data/3N/3N5Z-H4B/3N5Z-H4B_decoys.pdbqt | data/3N/3N5Z-H4B/3N5Z-H4B_decoy_scores.csv |
3NQM-BMP | data/3N/3NQM-BMP/3NQM-BMP_ligand.pdbqt | data/3N/3NQM-BMP/3NQM-BMP_target.pdbqt | data/3N/3NQM-BMP/3NQM-BMP_decoys.pdbqt | data/3N/3NQM-BMP/3NQM-BMP_decoy_scores.csv |
3N8D-ANP | data/3N/3N8D-ANP/3N8D-ANP_ligand.pdbqt | data/3N/3N8D-ANP/3N8D-ANP_target.pdbqt | data/3N/3N8D-ANP/3N8D-ANP_decoys.pdbqt | data/3N/3N8D-ANP/3N8D-ANP_decoy_scores.csv |
3NGC-HNH | data/3N/3NGC-HNH/3NGC-HNH_ligand.pdbqt | data/3N/3NGC-HNH/3NGC-HNH_target.pdbqt | data/3N/3NGC-HNH/3NGC-HNH_decoys.pdbqt | data/3N/3NGC-HNH/3NGC-HNH_decoy_scores.csv |
3N5P-XFM | data/3N/3N5P-XFM/3N5P-XFM_ligand.pdbqt | data/3N/3N5P-XFM/3N5P-XFM_target.pdbqt | null | null |
3N14-FMN | data/3N/3N14-FMN/3N14-FMN_ligand.pdbqt | data/3N/3N14-FMN/3N14-FMN_target.pdbqt | data/3N/3N14-FMN/3N14-FMN_decoys.pdbqt | data/3N/3N14-FMN/3N14-FMN_decoy_scores.csv |
3N10-CMP | data/3N/3N10-CMP/3N10-CMP_ligand.pdbqt | data/3N/3N10-CMP/3N10-CMP_target.pdbqt | data/3N/3N10-CMP/3N10-CMP_decoys.pdbqt | data/3N/3N10-CMP/3N10-CMP_decoy_scores.csv |
3N6K-BFH | data/3N/3N6K-BFH/3N6K-BFH_ligand.pdbqt | data/3N/3N6K-BFH/3N6K-BFH_target.pdbqt | data/3N/3N6K-BFH/3N6K-BFH_decoys.pdbqt | data/3N/3N6K-BFH/3N6K-BFH_decoy_scores.csv |
3NW9-637 | data/3N/3NW9-637/3NW9-637_ligand.pdbqt | data/3N/3NW9-637/3NW9-637_target.pdbqt | data/3N/3NW9-637/3NW9-637_decoys.pdbqt | data/3N/3NW9-637/3NW9-637_decoy_scores.csv |
3NOA-5BC | data/3N/3NOA-5BC/3NOA-5BC_ligand.pdbqt | data/3N/3NOA-5BC/3NOA-5BC_target.pdbqt | data/3N/3NOA-5BC/3NOA-5BC_decoys.pdbqt | data/3N/3NOA-5BC/3NOA-5BC_decoy_scores.csv |
3N6A-H4B | data/3N/3N6A-H4B/3N6A-H4B_ligand.pdbqt | data/3N/3N6A-H4B/3N6A-H4B_target.pdbqt | null | null |
3N6U-TSU | data/3N/3N6U-TSU/3N6U-TSU_ligand.pdbqt | data/3N/3N6U-TSU/3N6U-TSU_target.pdbqt | data/3N/3N6U-TSU/3N6U-TSU_decoys.pdbqt | data/3N/3N6U-TSU/3N6U-TSU_decoy_scores.csv |
3NCR-ADP | data/3N/3NCR-ADP/3NCR-ADP_ligand.pdbqt | data/3N/3NCR-ADP/3NCR-ADP_target.pdbqt | data/3N/3NCR-ADP/3NCR-ADP_decoys.pdbqt | data/3N/3NCR-ADP/3NCR-ADP_decoy_scores.csv |
3N5P-H4B | data/3N/3N5P-H4B/3N5P-H4B_ligand.pdbqt | data/3N/3N5P-H4B/3N5P-H4B_target.pdbqt | null | null |
3N5K-TG1 | data/3N/3N5K-TG1/3N5K-TG1_ligand.pdbqt | data/3N/3N5K-TG1/3N5K-TG1_target.pdbqt | null | null |
3NNU-EDB | data/3N/3NNU-EDB/3NNU-EDB_ligand.pdbqt | data/3N/3NNU-EDB/3NNU-EDB_target.pdbqt | data/3N/3NNU-EDB/3NNU-EDB_decoys.pdbqt | data/3N/3NNU-EDB/3NNU-EDB_decoy_scores.csv |
3NH3-HNL | data/3N/3NH3-HNL/3NH3-HNL_ligand.pdbqt | data/3N/3NH3-HNL/3NH3-HNL_target.pdbqt | data/3N/3NH3-HNL/3NH3-HNL_decoys.pdbqt | data/3N/3NH3-HNL/3NH3-HNL_decoy_scores.csv |
3N6G-XFK | data/3N/3N6G-XFK/3N6G-XFK_ligand.pdbqt | data/3N/3N6G-XFK/3N6G-XFK_target.pdbqt | null | null |
3NSH-957 | data/3N/3NSH-957/3NSH-957_ligand.pdbqt | data/3N/3NSH-957/3NSH-957_target.pdbqt | data/3N/3NSH-957/3NSH-957_decoys.pdbqt | data/3N/3NSH-957/3NSH-957_decoy_scores.csv |
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