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 ⌀ |
|---|---|---|---|---|
2GN2-C5P | data/2G/2GN2-C5P/2GN2-C5P_ligand.pdbqt | data/2G/2GN2-C5P/2GN2-C5P_target.pdbqt | data/2G/2GN2-C5P/2GN2-C5P_decoys.pdbqt | data/2G/2GN2-C5P/2GN2-C5P_decoy_scores.csv |
2GV7-672 | data/2G/2GV7-672/2GV7-672_ligand.pdbqt | data/2G/2GV7-672/2GV7-672_target.pdbqt | data/2G/2GV7-672/2GV7-672_decoys.pdbqt | data/2G/2GV7-672/2GV7-672_decoy_scores.csv |
2GRY-ADP | data/2G/2GRY-ADP/2GRY-ADP_ligand.pdbqt | data/2G/2GRY-ADP/2GRY-ADP_target.pdbqt | data/2G/2GRY-ADP/2GRY-ADP_decoys.pdbqt | data/2G/2GRY-ADP/2GRY-ADP_decoy_scores.csv |
2GQG-1N1 | data/2G/2GQG-1N1/2GQG-1N1_ligand.pdbqt | data/2G/2GQG-1N1/2GQG-1N1_target.pdbqt | data/2G/2GQG-1N1/2GQG-1N1_decoys.pdbqt | data/2G/2GQG-1N1/2GQG-1N1_decoy_scores.csv |
2G6H-H4B | data/2G/2G6H-H4B/2G6H-H4B_ligand.pdbqt | data/2G/2G6H-H4B/2G6H-H4B_target.pdbqt | data/2G/2G6H-H4B/2G6H-H4B_decoys.pdbqt | data/2G/2G6H-H4B/2G6H-H4B_decoy_scores.csv |
2GWH-PCI | data/2G/2GWH-PCI/2GWH-PCI_ligand.pdbqt | data/2G/2GWH-PCI/2GWH-PCI_target.pdbqt | data/2G/2GWH-PCI/2GWH-PCI_decoys.pdbqt | data/2G/2GWH-PCI/2GWH-PCI_decoy_scores.csv |
2G1U-AMP | data/2G/2G1U-AMP/2G1U-AMP_ligand.pdbqt | data/2G/2G1U-AMP/2G1U-AMP_target.pdbqt | data/2G/2G1U-AMP/2G1U-AMP_decoys.pdbqt | data/2G/2G1U-AMP/2G1U-AMP_decoy_scores.csv |
2GJ4-2TH | data/2G/2GJ4-2TH/2GJ4-2TH_ligand.pdbqt | data/2G/2GJ4-2TH/2GJ4-2TH_target.pdbqt | data/2G/2GJ4-2TH/2GJ4-2TH_decoys.pdbqt | data/2G/2GJ4-2TH/2GJ4-2TH_decoy_scores.csv |
2GDZ-NAD | data/2G/2GDZ-NAD/2GDZ-NAD_ligand.pdbqt | data/2G/2GDZ-NAD/2GDZ-NAD_target.pdbqt | data/2G/2GDZ-NAD/2GDZ-NAD_decoys.pdbqt | data/2G/2GDZ-NAD/2GDZ-NAD_decoy_scores.csv |
2GUU-UP6 | data/2G/2GUU-UP6/2GUU-UP6_ligand.pdbqt | data/2G/2GUU-UP6/2GUU-UP6_target.pdbqt | data/2G/2GUU-UP6/2GUU-UP6_decoys.pdbqt | data/2G/2GUU-UP6/2GUU-UP6_decoy_scores.csv |
2G1R-3IG | data/2G/2G1R-3IG/2G1R-3IG_ligand.pdbqt | data/2G/2G1R-3IG/2G1R-3IG_target.pdbqt | data/2G/2G1R-3IG/2G1R-3IG_decoys.pdbqt | data/2G/2G1R-3IG/2G1R-3IG_decoy_scores.csv |
2G50-ETE | data/2G/2G50-ETE/2G50-ETE_ligand.pdbqt | data/2G/2G50-ETE/2G50-ETE_target.pdbqt | data/2G/2G50-ETE/2G50-ETE_decoys.pdbqt | data/2G/2G50-ETE/2G50-ETE_decoy_scores.csv |
2GGD-S3P | data/2G/2GGD-S3P/2GGD-S3P_ligand.pdbqt | data/2G/2GGD-S3P/2GGD-S3P_target.pdbqt | data/2G/2GGD-S3P/2GGD-S3P_decoys.pdbqt | data/2G/2GGD-S3P/2GGD-S3P_decoy_scores.csv |
2GOO-NDG | data/2G/2GOO-NDG/2GOO-NDG_ligand.pdbqt | data/2G/2GOO-NDG/2GOO-NDG_target.pdbqt | data/2G/2GOO-NDG/2GOO-NDG_decoys.pdbqt | data/2G/2GOO-NDG/2GOO-NDG_decoy_scores.csv |
2GU6-NLP | data/2G/2GU6-NLP/2GU6-NLP_ligand.pdbqt | data/2G/2GU6-NLP/2GU6-NLP_target.pdbqt | data/2G/2GU6-NLP/2GU6-NLP_decoys.pdbqt | data/2G/2GU6-NLP/2GU6-NLP_decoy_scores.csv |
2GVJ-DGB | data/2G/2GVJ-DGB/2GVJ-DGB_ligand.pdbqt | data/2G/2GVJ-DGB/2GVJ-DGB_target.pdbqt | data/2G/2GVJ-DGB/2GVJ-DGB_decoys.pdbqt | data/2G/2GVJ-DGB/2GVJ-DGB_decoy_scores.csv |
2GT4-GDD | data/2G/2GT4-GDD/2GT4-GDD_ligand.pdbqt | data/2G/2GT4-GDD/2GT4-GDD_target.pdbqt | data/2G/2GT4-GDD/2GT4-GDD_decoys.pdbqt | data/2G/2GT4-GDD/2GT4-GDD_decoy_scores.csv |
2GWL-NAI | data/2G/2GWL-NAI/2GWL-NAI_ligand.pdbqt | data/2G/2GWL-NAI/2GWL-NAI_target.pdbqt | data/2G/2GWL-NAI/2GWL-NAI_decoys.pdbqt | data/2G/2GWL-NAI/2GWL-NAI_decoy_scores.csv |
2G82-NAD | data/2G/2G82-NAD/2G82-NAD_ligand.pdbqt | data/2G/2G82-NAD/2G82-NAD_target.pdbqt | data/2G/2G82-NAD/2G82-NAD_decoys.pdbqt | data/2G/2G82-NAD/2G82-NAD_decoy_scores.csv |
2G89-UMP | data/2G/2G89-UMP/2G89-UMP_ligand.pdbqt | data/2G/2G89-UMP/2G89-UMP_target.pdbqt | data/2G/2G89-UMP/2G89-UMP_decoys.pdbqt | data/2G/2G89-UMP/2G89-UMP_decoy_scores.csv |
2GQ8-AC6 | data/2G/2GQ8-AC6/2GQ8-AC6_ligand.pdbqt | data/2G/2GQ8-AC6/2GQ8-AC6_target.pdbqt | data/2G/2GQ8-AC6/2GQ8-AC6_decoys.pdbqt | data/2G/2GQ8-AC6/2GQ8-AC6_decoy_scores.csv |
2GC2-F6R | data/2G/2GC2-F6R/2GC2-F6R_ligand.pdbqt | data/2G/2GC2-F6R/2GC2-F6R_target.pdbqt | data/2G/2GC2-F6R/2GC2-F6R_decoys.pdbqt | data/2G/2GC2-F6R/2GC2-F6R_decoy_scores.csv |
2GSS-EAA | data/2G/2GSS-EAA/2GSS-EAA_ligand.pdbqt | data/2G/2GSS-EAA/2GSS-EAA_target.pdbqt | data/2G/2GSS-EAA/2GSS-EAA_decoys.pdbqt | data/2G/2GSS-EAA/2GSS-EAA_decoy_scores.csv |
2G5T-ACF | data/2G/2G5T-ACF/2G5T-ACF_ligand.pdbqt | data/2G/2G5T-ACF/2G5T-ACF_target.pdbqt | data/2G/2G5T-ACF/2G5T-ACF_decoys.pdbqt | data/2G/2G5T-ACF/2G5T-ACF_decoy_scores.csv |
2G6J-ARG | data/2G/2G6J-ARG/2G6J-ARG_ligand.pdbqt | data/2G/2G6J-ARG/2G6J-ARG_target.pdbqt | data/2G/2G6J-ARG/2G6J-ARG_decoys.pdbqt | data/2G/2G6J-ARG/2G6J-ARG_decoy_scores.csv |
2GFS-PQB | data/2G/2GFS-PQB/2GFS-PQB_ligand.pdbqt | data/2G/2GFS-PQB/2GFS-PQB_target.pdbqt | data/2G/2GFS-PQB/2GFS-PQB_decoys.pdbqt | data/2G/2GFS-PQB/2GFS-PQB_decoy_scores.csv |
2GDE-SN3 | data/2G/2GDE-SN3/2GDE-SN3_ligand.pdbqt | data/2G/2GDE-SN3/2GDE-SN3_target.pdbqt | data/2G/2GDE-SN3/2GDE-SN3_decoys.pdbqt | data/2G/2GDE-SN3/2GDE-SN3_decoy_scores.csv |
2GLL-BEN | data/2G/2GLL-BEN/2GLL-BEN_ligand.pdbqt | data/2G/2GLL-BEN/2GLL-BEN_target.pdbqt | data/2G/2GLL-BEN/2GLL-BEN_decoys.pdbqt | data/2G/2GLL-BEN/2GLL-BEN_decoy_scores.csv |
2G3Y-GDP | data/2G/2G3Y-GDP/2G3Y-GDP_ligand.pdbqt | data/2G/2G3Y-GDP/2G3Y-GDP_target.pdbqt | data/2G/2G3Y-GDP/2G3Y-GDP_decoys.pdbqt | data/2G/2G3Y-GDP/2G3Y-GDP_decoy_scores.csv |
2GSD-NAD | data/2G/2GSD-NAD/2GSD-NAD_ligand.pdbqt | data/2G/2GSD-NAD/2GSD-NAD_target.pdbqt | data/2G/2GSD-NAD/2GSD-NAD_decoys.pdbqt | data/2G/2GSD-NAD/2GSD-NAD_decoy_scores.csv |
2GVM-LDA | data/2G/2GVM-LDA/2GVM-LDA_ligand.pdbqt | data/2G/2GVM-LDA/2GVM-LDA_target.pdbqt | data/2G/2GVM-LDA/2GVM-LDA_decoys.pdbqt | data/2G/2GVM-LDA/2GVM-LDA_decoy_scores.csv |
2GPA-GLC | data/2G/2GPA-GLC/2GPA-GLC_ligand.pdbqt | data/2G/2GPA-GLC/2GPA-GLC_target.pdbqt | data/2G/2GPA-GLC/2GPA-GLC_decoys.pdbqt | data/2G/2GPA-GLC/2GPA-GLC_decoy_scores.csv |
2GIU-FBR | data/2G/2GIU-FBR/2GIU-FBR_ligand.pdbqt | data/2G/2GIU-FBR/2GIU-FBR_target.pdbqt | data/2G/2GIU-FBR/2GIU-FBR_decoys.pdbqt | data/2G/2GIU-FBR/2GIU-FBR_decoy_scores.csv |
2GQP-PA7 | data/2G/2GQP-PA7/2GQP-PA7_ligand.pdbqt | data/2G/2GQP-PA7/2GQP-PA7_target.pdbqt | data/2G/2GQP-PA7/2GQP-PA7_decoys.pdbqt | data/2G/2GQP-PA7/2GQP-PA7_decoy_scores.csv |
2G6D-MQQ | data/2G/2G6D-MQQ/2G6D-MQQ_ligand.pdbqt | data/2G/2G6D-MQQ/2G6D-MQQ_target.pdbqt | data/2G/2G6D-MQQ/2G6D-MQQ_decoys.pdbqt | data/2G/2G6D-MQQ/2G6D-MQQ_decoy_scores.csv |
2G8T-MI2 | data/2G/2G8T-MI2/2G8T-MI2_ligand.pdbqt | data/2G/2G8T-MI2/2G8T-MI2_target.pdbqt | data/2G/2G8T-MI2/2G8T-MI2_decoys.pdbqt | data/2G/2G8T-MI2/2G8T-MI2_decoy_scores.csv |
2GN8-UDP | data/2G/2GN8-UDP/2GN8-UDP_ligand.pdbqt | data/2G/2GN8-UDP/2GN8-UDP_target.pdbqt | data/2G/2GN8-UDP/2GN8-UDP_decoys.pdbqt | data/2G/2GN8-UDP/2GN8-UDP_decoy_scores.csv |
2GC1-S6P | data/2G/2GC1-S6P/2GC1-S6P_ligand.pdbqt | data/2G/2GC1-S6P/2GC1-S6P_target.pdbqt | data/2G/2GC1-S6P/2GC1-S6P_decoys.pdbqt | data/2G/2GC1-S6P/2GC1-S6P_decoy_scores.csv |
2GSU-AMP | data/2G/2GSU-AMP/2GSU-AMP_ligand.pdbqt | data/2G/2GSU-AMP/2GSU-AMP_target.pdbqt | data/2G/2GSU-AMP/2GSU-AMP_decoys.pdbqt | data/2G/2GSU-AMP/2GSU-AMP_decoy_scores.csv |
2G8N-F83 | data/2G/2G8N-F83/2G8N-F83_ligand.pdbqt | data/2G/2G8N-F83/2G8N-F83_target.pdbqt | data/2G/2G8N-F83/2G8N-F83_decoys.pdbqt | data/2G/2G8N-F83/2G8N-F83_decoy_scores.csv |
2G6B-GNP | data/2G/2G6B-GNP/2G6B-GNP_ligand.pdbqt | data/2G/2G6B-GNP/2G6B-GNP_target.pdbqt | data/2G/2G6B-GNP/2G6B-GNP_decoys.pdbqt | data/2G/2G6B-GNP/2G6B-GNP_decoy_scores.csv |
2GU4-NLP | data/2G/2GU4-NLP/2GU4-NLP_ligand.pdbqt | data/2G/2GU4-NLP/2GU4-NLP_target.pdbqt | data/2G/2GU4-NLP/2GU4-NLP_decoys.pdbqt | data/2G/2GU4-NLP/2GU4-NLP_decoy_scores.csv |
2G19-4HG | data/2G/2G19-4HG/2G19-4HG_ligand.pdbqt | data/2G/2G19-4HG/2G19-4HG_target.pdbqt | data/2G/2G19-4HG/2G19-4HG_decoys.pdbqt | data/2G/2G19-4HG/2G19-4HG_decoy_scores.csv |
2GPT-SKM | data/2G/2GPT-SKM/2GPT-SKM_ligand.pdbqt | data/2G/2GPT-SKM/2GPT-SKM_target.pdbqt | data/2G/2GPT-SKM/2GPT-SKM_decoys.pdbqt | data/2G/2GPT-SKM/2GPT-SKM_decoy_scores.csv |
2GM1-2AZ | data/2G/2GM1-2AZ/2GM1-2AZ_ligand.pdbqt | data/2G/2GM1-2AZ/2GM1-2AZ_target.pdbqt | data/2G/2GM1-2AZ/2GM1-2AZ_decoys.pdbqt | data/2G/2GM1-2AZ/2GM1-2AZ_decoy_scores.csv |
2GJ8-GDP | data/2G/2GJ8-GDP/2GJ8-GDP_ligand.pdbqt | data/2G/2GJ8-GDP/2GJ8-GDP_target.pdbqt | null | null |
2G5U-PCQ | data/2G/2G5U-PCQ/2G5U-PCQ_ligand.pdbqt | data/2G/2G5U-PCQ/2G5U-PCQ_target.pdbqt | data/2G/2G5U-PCQ/2G5U-PCQ_decoys.pdbqt | data/2G/2G5U-PCQ/2G5U-PCQ_decoy_scores.csv |
2GX5-P6G | data/2G/2GX5-P6G/2GX5-P6G_ligand.pdbqt | data/2G/2GX5-P6G/2GX5-P6G_target.pdbqt | data/2G/2GX5-P6G/2GX5-P6G_decoys.pdbqt | data/2G/2GX5-P6G/2GX5-P6G_decoy_scores.csv |
2G9U-G27 | data/2G/2G9U-G27/2G9U-G27_ligand.pdbqt | data/2G/2G9U-G27/2G9U-G27_target.pdbqt | data/2G/2G9U-G27/2G9U-G27_decoys.pdbqt | data/2G/2G9U-G27/2G9U-G27_decoy_scores.csv |
2G1A-5HG | data/2G/2G1A-5HG/2G1A-5HG_ligand.pdbqt | data/2G/2G1A-5HG/2G1A-5HG_target.pdbqt | data/2G/2G1A-5HG/2G1A-5HG_decoys.pdbqt | data/2G/2G1A-5HG/2G1A-5HG_decoy_scores.csv |
2GM8-HMH | data/2G/2GM8-HMH/2GM8-HMH_ligand.pdbqt | data/2G/2GM8-HMH/2GM8-HMH_target.pdbqt | data/2G/2GM8-HMH/2GM8-HMH_decoys.pdbqt | data/2G/2GM8-HMH/2GM8-HMH_decoy_scores.csv |
2G7B-AZE | data/2G/2G7B-AZE/2G7B-AZE_ligand.pdbqt | data/2G/2G7B-AZE/2G7B-AZE_target.pdbqt | data/2G/2G7B-AZE/2G7B-AZE_decoys.pdbqt | data/2G/2G7B-AZE/2G7B-AZE_decoy_scores.csv |
2GGA-GPJ | data/2G/2GGA-GPJ/2GGA-GPJ_ligand.pdbqt | data/2G/2GGA-GPJ/2GGA-GPJ_target.pdbqt | data/2G/2GGA-GPJ/2GGA-GPJ_decoys.pdbqt | data/2G/2GGA-GPJ/2GGA-GPJ_decoy_scores.csv |
2GC0-PAN | data/2G/2GC0-PAN/2GC0-PAN_ligand.pdbqt | data/2G/2GC0-PAN/2GC0-PAN_target.pdbqt | data/2G/2GC0-PAN/2GC0-PAN_decoys.pdbqt | data/2G/2GC0-PAN/2GC0-PAN_decoy_scores.csv |
2GJS-GDP | data/2G/2GJS-GDP/2GJS-GDP_ligand.pdbqt | data/2G/2GJS-GDP/2GJS-GDP_target.pdbqt | data/2G/2GJS-GDP/2GJS-GDP_decoys.pdbqt | data/2G/2GJS-GDP/2GJS-GDP_decoy_scores.csv |
2GG3-U13 | data/2G/2GG3-U13/2GG3-U13_ligand.pdbqt | data/2G/2GG3-U13/2GG3-U13_target.pdbqt | data/2G/2GG3-U13/2GG3-U13_decoys.pdbqt | data/2G/2GG3-U13/2GG3-U13_decoy_scores.csv |
2GYV-HBP | data/2G/2GYV-HBP/2GYV-HBP_ligand.pdbqt | data/2G/2GYV-HBP/2GYV-HBP_target.pdbqt | data/2G/2GYV-HBP/2GYV-HBP_decoys.pdbqt | data/2G/2GYV-HBP/2GYV-HBP_decoy_scores.csv |
2GQS-C2R | data/2G/2GQS-C2R/2GQS-C2R_ligand.pdbqt | data/2G/2GQS-C2R/2GQS-C2R_target.pdbqt | data/2G/2GQS-C2R/2GQS-C2R_decoys.pdbqt | data/2G/2GQS-C2R/2GQS-C2R_decoy_scores.csv |
2GUI-U5P | data/2G/2GUI-U5P/2GUI-U5P_ligand.pdbqt | data/2G/2GUI-U5P/2GUI-U5P_target.pdbqt | data/2G/2GUI-U5P/2GUI-U5P_decoys.pdbqt | data/2G/2GUI-U5P/2GUI-U5P_decoy_scores.csv |
2GIL-GTP | data/2G/2GIL-GTP/2GIL-GTP_ligand.pdbqt | data/2G/2GIL-GTP/2GIL-GTP_target.pdbqt | data/2G/2GIL-GTP/2GIL-GTP_decoys.pdbqt | data/2G/2GIL-GTP/2GIL-GTP_decoy_scores.csv |
2G0N-GDP | data/2G/2G0N-GDP/2G0N-GDP_ligand.pdbqt | data/2G/2G0N-GDP/2G0N-GDP_target.pdbqt | data/2G/2G0N-GDP/2G0N-GDP_decoys.pdbqt | data/2G/2G0N-GDP/2G0N-GDP_decoy_scores.csv |
2GKJ-ZDR | data/2G/2GKJ-ZDR/2GKJ-ZDR_ligand.pdbqt | data/2G/2GKJ-ZDR/2GKJ-ZDR_target.pdbqt | data/2G/2GKJ-ZDR/2GKJ-ZDR_decoys.pdbqt | data/2G/2GKJ-ZDR/2GKJ-ZDR_decoy_scores.csv |
2GON-FLC | data/2G/2GON-FLC/2GON-FLC_ligand.pdbqt | data/2G/2GON-FLC/2GON-FLC_target.pdbqt | data/2G/2GON-FLC/2GON-FLC_decoys.pdbqt | data/2G/2GON-FLC/2GON-FLC_decoy_scores.csv |
2GJ5-VD3 | data/2G/2GJ5-VD3/2GJ5-VD3_ligand.pdbqt | data/2G/2GJ5-VD3/2GJ5-VD3_target.pdbqt | data/2G/2GJ5-VD3/2GJ5-VD3_decoys.pdbqt | data/2G/2GJ5-VD3/2GJ5-VD3_decoy_scores.csv |
2GG0-U11 | data/2G/2GG0-U11/2GG0-U11_ligand.pdbqt | data/2G/2GG0-U11/2GG0-U11_target.pdbqt | data/2G/2GG0-U11/2GG0-U11_decoys.pdbqt | data/2G/2GG0-U11/2GG0-U11_decoy_scores.csv |
2G5N-23M | data/2G/2G5N-23M/2G5N-23M_ligand.pdbqt | data/2G/2G5N-23M/2G5N-23M_target.pdbqt | data/2G/2G5N-23M/2G5N-23M_decoys.pdbqt | data/2G/2G5N-23M/2G5N-23M_decoy_scores.csv |
2GSM-TRD | data/2G/2GSM-TRD/2GSM-TRD_ligand.pdbqt | data/2G/2GSM-TRD/2GSM-TRD_target.pdbqt | data/2G/2GSM-TRD/2GSM-TRD_decoys.pdbqt | data/2G/2GSM-TRD/2GSM-TRD_decoy_scores.csv |
2GV6-730 | data/2G/2GV6-730/2GV6-730_ligand.pdbqt | data/2G/2GV6-730/2GV6-730_target.pdbqt | data/2G/2GV6-730/2GV6-730_decoys.pdbqt | data/2G/2GV6-730/2GV6-730_decoy_scores.csv |
2GD8-PO1 | data/2G/2GD8-PO1/2GD8-PO1_ligand.pdbqt | data/2G/2GD8-PO1/2GD8-PO1_target.pdbqt | data/2G/2GD8-PO1/2GD8-PO1_decoys.pdbqt | data/2G/2GD8-PO1/2GD8-PO1_decoy_scores.csv |
2GRU-CAK | data/2G/2GRU-CAK/2GRU-CAK_ligand.pdbqt | data/2G/2GRU-CAK/2GRU-CAK_target.pdbqt | data/2G/2GRU-CAK/2GRU-CAK_decoys.pdbqt | data/2G/2GRU-CAK/2GRU-CAK_decoy_scores.csv |
2GU8-796 | data/2G/2GU8-796/2GU8-796_ligand.pdbqt | data/2G/2GU8-796/2GU8-796_target.pdbqt | data/2G/2GU8-796/2GU8-796_decoys.pdbqt | data/2G/2GU8-796/2GU8-796_decoy_scores.csv |
2GZM-DGL | data/2G/2GZM-DGL/2GZM-DGL_ligand.pdbqt | data/2G/2GZM-DGL/2GZM-DGL_target.pdbqt | data/2G/2GZM-DGL/2GZM-DGL_decoys.pdbqt | data/2G/2GZM-DGL/2GZM-DGL_decoy_scores.csv |
2GX6-RIP | data/2G/2GX6-RIP/2GX6-RIP_ligand.pdbqt | data/2G/2GX6-RIP/2GX6-RIP_target.pdbqt | data/2G/2GX6-RIP/2GX6-RIP_decoys.pdbqt | data/2G/2GX6-RIP/2GX6-RIP_decoy_scores.csv |
2G28-TDK | data/2G/2G28-TDK/2G28-TDK_ligand.pdbqt | data/2G/2G28-TDK/2G28-TDK_target.pdbqt | data/2G/2G28-TDK/2G28-TDK_decoys.pdbqt | data/2G/2G28-TDK/2G28-TDK_decoy_scores.csv |
2G5P-ADF | data/2G/2G5P-ADF/2G5P-ADF_ligand.pdbqt | data/2G/2G5P-ADF/2G5P-ADF_target.pdbqt | data/2G/2G5P-ADF/2G5P-ADF_decoys.pdbqt | data/2G/2G5P-ADF/2G5P-ADF_decoy_scores.csv |
2G8Y-NAD | data/2G/2G8Y-NAD/2G8Y-NAD_ligand.pdbqt | data/2G/2G8Y-NAD/2G8Y-NAD_target.pdbqt | data/2G/2G8Y-NAD/2G8Y-NAD_decoys.pdbqt | data/2G/2G8Y-NAD/2G8Y-NAD_decoy_scores.csv |
2G6J-7AP | data/2G/2G6J-7AP/2G6J-7AP_ligand.pdbqt | data/2G/2G6J-7AP/2G6J-7AP_target.pdbqt | data/2G/2G6J-7AP/2G6J-7AP_decoys.pdbqt | data/2G/2G6J-7AP/2G6J-7AP_decoy_scores.csv |
2GMR-LDA | data/2G/2GMR-LDA/2GMR-LDA_ligand.pdbqt | data/2G/2GMR-LDA/2GMR-LDA_target.pdbqt | data/2G/2GMR-LDA/2GMR-LDA_decoys.pdbqt | data/2G/2GMR-LDA/2GMR-LDA_decoy_scores.csv |
2GOU-FMN | data/2G/2GOU-FMN/2GOU-FMN_ligand.pdbqt | data/2G/2GOU-FMN/2GOU-FMN_target.pdbqt | data/2G/2GOU-FMN/2GOU-FMN_decoys.pdbqt | data/2G/2GOU-FMN/2GOU-FMN_decoy_scores.csv |
2G6I-ARG | data/2G/2G6I-ARG/2G6I-ARG_ligand.pdbqt | data/2G/2G6I-ARG/2G6I-ARG_target.pdbqt | data/2G/2G6I-ARG/2G6I-ARG_decoys.pdbqt | data/2G/2G6I-ARG/2G6I-ARG_decoy_scores.csv |
2G71-SAH | data/2G/2G71-SAH/2G71-SAH_ligand.pdbqt | data/2G/2G71-SAH/2G71-SAH_target.pdbqt | data/2G/2G71-SAH/2G71-SAH_decoys.pdbqt | data/2G/2G71-SAH/2G71-SAH_decoy_scores.csv |
2G9Z-VNP | data/2G/2G9Z-VNP/2G9Z-VNP_ligand.pdbqt | data/2G/2G9Z-VNP/2G9Z-VNP_target.pdbqt | data/2G/2G9Z-VNP/2G9Z-VNP_decoys.pdbqt | data/2G/2G9Z-VNP/2G9Z-VNP_decoy_scores.csv |
2G8J-D7G | data/2G/2G8J-D7G/2G8J-D7G_ligand.pdbqt | data/2G/2G8J-D7G/2G8J-D7G_target.pdbqt | data/2G/2G8J-D7G/2G8J-D7G_decoys.pdbqt | data/2G/2G8J-D7G/2G8J-D7G_decoy_scores.csv |
2GGX-NPJ | data/2G/2GGX-NPJ/2GGX-NPJ_ligand.pdbqt | data/2G/2GGX-NPJ/2GGX-NPJ_target.pdbqt | data/2G/2GGX-NPJ/2GGX-NPJ_decoys.pdbqt | data/2G/2GGX-NPJ/2GGX-NPJ_decoy_scores.csv |
2GPU-OHT | data/2G/2GPU-OHT/2GPU-OHT_ligand.pdbqt | data/2G/2GPU-OHT/2GPU-OHT_target.pdbqt | data/2G/2GPU-OHT/2GPU-OHT_decoys.pdbqt | data/2G/2GPU-OHT/2GPU-OHT_decoy_scores.csv |
2GJ9-GDP | data/2G/2GJ9-GDP/2GJ9-GDP_ligand.pdbqt | data/2G/2GJ9-GDP/2GJ9-GDP_target.pdbqt | null | null |
2GQR-ADP | data/2G/2GQR-ADP/2GQR-ADP_ligand.pdbqt | data/2G/2GQR-ADP/2GQR-ADP_target.pdbqt | data/2G/2GQR-ADP/2GQR-ADP_decoys.pdbqt | data/2G/2GQR-ADP/2GQR-ADP_decoy_scores.csv |
2G6H-ARG | data/2G/2G6H-ARG/2G6H-ARG_ligand.pdbqt | data/2G/2G6H-ARG/2G6H-ARG_target.pdbqt | data/2G/2G6H-ARG/2G6H-ARG_decoys.pdbqt | data/2G/2G6H-ARG/2G6H-ARG_decoy_scores.csv |
2GJN-FMN | data/2G/2GJN-FMN/2GJN-FMN_ligand.pdbqt | data/2G/2GJN-FMN/2GJN-FMN_target.pdbqt | data/2G/2GJN-FMN/2GJN-FMN_decoys.pdbqt | data/2G/2GJN-FMN/2GJN-FMN_decoy_scores.csv |
2GKE-ZDP | data/2G/2GKE-ZDP/2GKE-ZDP_ligand.pdbqt | data/2G/2GKE-ZDP/2GKE-ZDP_target.pdbqt | data/2G/2GKE-ZDP/2GKE-ZDP_decoys.pdbqt | data/2G/2GKE-ZDP/2GKE-ZDP_decoy_scores.csv |
2GO3-PLM | data/2G/2GO3-PLM/2GO3-PLM_ligand.pdbqt | data/2G/2GO3-PLM/2GO3-PLM_target.pdbqt | data/2G/2GO3-PLM/2GO3-PLM_decoys.pdbqt | data/2G/2GO3-PLM/2GO3-PLM_decoy_scores.csv |
2GPB-GLC | data/2G/2GPB-GLC/2GPB-GLC_ligand.pdbqt | data/2G/2GPB-GLC/2GPB-GLC_target.pdbqt | data/2G/2GPB-GLC/2GPB-GLC_decoys.pdbqt | data/2G/2GPB-GLC/2GPB-GLC_decoy_scores.csv |
2GUZ-FLC | data/2G/2GUZ-FLC/2GUZ-FLC_ligand.pdbqt | data/2G/2GUZ-FLC/2GUZ-FLC_target.pdbqt | data/2G/2GUZ-FLC/2GUZ-FLC_decoys.pdbqt | data/2G/2GUZ-FLC/2GUZ-FLC_decoy_scores.csv |
2G4U-FLC | data/2G/2G4U-FLC/2G4U-FLC_ligand.pdbqt | data/2G/2G4U-FLC/2G4U-FLC_target.pdbqt | data/2G/2G4U-FLC/2G4U-FLC_decoys.pdbqt | data/2G/2G4U-FLC/2G4U-FLC_decoy_scores.csv |
2GSK-LDA | data/2G/2GSK-LDA/2GSK-LDA_ligand.pdbqt | data/2G/2GSK-LDA/2GSK-LDA_target.pdbqt | data/2G/2GSK-LDA/2GSK-LDA_decoys.pdbqt | data/2G/2GSK-LDA/2GSK-LDA_decoy_scores.csv |
2GMV-UN8 | data/2G/2GMV-UN8/2GMV-UN8_ligand.pdbqt | data/2G/2GMV-UN8/2GMV-UN8_target.pdbqt | data/2G/2GMV-UN8/2GMV-UN8_decoys.pdbqt | data/2G/2GMV-UN8/2GMV-UN8_decoy_scores.csv |
2GCN-GDP | data/2G/2GCN-GDP/2GCN-GDP_ligand.pdbqt | data/2G/2GCN-GDP/2GCN-GDP_target.pdbqt | data/2G/2GCN-GDP/2GCN-GDP_decoys.pdbqt | data/2G/2GCN-GDP/2GCN-GDP_decoy_scores.csv |
2GZH-GTP | data/2G/2GZH-GTP/2GZH-GTP_ligand.pdbqt | data/2G/2GZH-GTP/2GZH-GTP_target.pdbqt | data/2G/2GZH-GTP/2GZH-GTP_decoys.pdbqt | data/2G/2GZH-GTP/2GZH-GTP_decoy_scores.csv |
2GMH-BHG | data/2G/2GMH-BHG/2GMH-BHG_ligand.pdbqt | data/2G/2GMH-BHG/2GMH-BHG_target.pdbqt | data/2G/2GMH-BHG/2GMH-BHG_decoys.pdbqt | data/2G/2GMH-BHG/2GMH-BHG_decoy_scores.csv |
2G1T-112 | data/2G/2G1T-112/2G1T-112_ligand.pdbqt | data/2G/2G1T-112/2G1T-112_target.pdbqt | data/2G/2G1T-112/2G1T-112_decoys.pdbqt | data/2G/2G1T-112/2G1T-112_decoy_scores.csv |
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