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 ⌀ |
|---|---|---|---|---|
5VWM-C90 | data/5V/5VWM-C90/5VWM-C90_ligand.pdbqt | data/5V/5VWM-C90/5VWM-C90_target.pdbqt | data/5V/5VWM-C90/5VWM-C90_decoys.pdbqt | data/5V/5VWM-C90/5VWM-C90_decoy_scores.csv |
5VSM-5AD | data/5V/5VSM-5AD/5VSM-5AD_ligand.pdbqt | data/5V/5VSM-5AD/5VSM-5AD_target.pdbqt | data/5V/5VSM-5AD/5VSM-5AD_decoys.pdbqt | data/5V/5VSM-5AD/5VSM-5AD_decoy_scores.csv |
5VCG-08Y | data/5V/5VCG-08Y/5VCG-08Y_ligand.pdbqt | data/5V/5VCG-08Y/5VCG-08Y_target.pdbqt | data/5V/5VCG-08Y/5VCG-08Y_decoys.pdbqt | data/5V/5VCG-08Y/5VCG-08Y_decoy_scores.csv |
5VBO-4K4 | data/5V/5VBO-4K4/5VBO-4K4_ligand.pdbqt | data/5V/5VBO-4K4/5VBO-4K4_target.pdbqt | data/5V/5VBO-4K4/5VBO-4K4_decoys.pdbqt | data/5V/5VBO-4K4/5VBO-4K4_decoy_scores.csv |
5VV5-9OJ | data/5V/5VV5-9OJ/5VV5-9OJ_ligand.pdbqt | data/5V/5VV5-9OJ/5VV5-9OJ_target.pdbqt | data/5V/5VV5-9OJ/5VV5-9OJ_decoys.pdbqt | data/5V/5VV5-9OJ/5VV5-9OJ_decoy_scores.csv |
5VQ0-GDP | data/5V/5VQ0-GDP/5VQ0-GDP_ligand.pdbqt | data/5V/5VQ0-GDP/5VQ0-GDP_target.pdbqt | data/5V/5VQ0-GDP/5VQ0-GDP_decoys.pdbqt | data/5V/5VQ0-GDP/5VQ0-GDP_decoy_scores.csv |
5VV8-H4B | data/5V/5VV8-H4B/5VV8-H4B_ligand.pdbqt | data/5V/5VV8-H4B/5VV8-H4B_target.pdbqt | null | null |
5VB6-927 | data/5V/5VB6-927/5VB6-927_ligand.pdbqt | data/5V/5VB6-927/5VB6-927_target.pdbqt | data/5V/5VB6-927/5VB6-927_decoys.pdbqt | data/5V/5VB6-927/5VB6-927_decoy_scores.csv |
5VQ3-HCA | data/5V/5VQ3-HCA/5VQ3-HCA_ligand.pdbqt | data/5V/5VQ3-HCA/5VQ3-HCA_target.pdbqt | null | null |
5VNS-DH9 | data/5V/5VNS-DH9/5VNS-DH9_ligand.pdbqt | data/5V/5VNS-DH9/5VNS-DH9_target.pdbqt | data/5V/5VNS-DH9/5VNS-DH9_decoys.pdbqt | data/5V/5VNS-DH9/5VNS-DH9_decoy_scores.csv |
5VSV-IMP | data/5V/5VSV-IMP/5VSV-IMP_ligand.pdbqt | data/5V/5VSV-IMP/5VSV-IMP_target.pdbqt | data/5V/5VSV-IMP/5VSV-IMP_decoys.pdbqt | data/5V/5VSV-IMP/5VSV-IMP_decoy_scores.csv |
5V71-8ZG | data/5V/5V71-8ZG/5V71-8ZG_ligand.pdbqt | data/5V/5V71-8ZG/5V71-8ZG_target.pdbqt | data/5V/5V71-8ZG/5V71-8ZG_decoys.pdbqt | data/5V/5V71-8ZG/5V71-8ZG_decoy_scores.csv |
5VUO-H4B | data/5V/5VUO-H4B/5VUO-H4B_ligand.pdbqt | data/5V/5VUO-H4B/5VUO-H4B_target.pdbqt | data/5V/5VUO-H4B/5VUO-H4B_decoys.pdbqt | data/5V/5VUO-H4B/5VUO-H4B_decoy_scores.csv |
5VKH-1EM | data/5V/5VKH-1EM/5VKH-1EM_ligand.pdbqt | data/5V/5VKH-1EM/5VKH-1EM_target.pdbqt | data/5V/5VKH-1EM/5VKH-1EM_decoys.pdbqt | data/5V/5VKH-1EM/5VKH-1EM_decoy_scores.csv |
5VHC-ADP | data/5V/5VHC-ADP/5VHC-ADP_ligand.pdbqt | data/5V/5VHC-ADP/5VHC-ADP_target.pdbqt | null | null |
5VFJ-DHC | data/5V/5VFJ-DHC/5VFJ-DHC_ligand.pdbqt | data/5V/5VFJ-DHC/5VFJ-DHC_target.pdbqt | data/5V/5VFJ-DHC/5VFJ-DHC_decoys.pdbqt | data/5V/5VFJ-DHC/5VFJ-DHC_decoy_scores.csv |
5VCK-7GC | data/5V/5VCK-7GC/5VCK-7GC_ligand.pdbqt | data/5V/5VCK-7GC/5VCK-7GC_target.pdbqt | data/5V/5VCK-7GC/5VCK-7GC_decoys.pdbqt | data/5V/5VCK-7GC/5VCK-7GC_decoy_scores.csv |
5VUR-H4B | data/5V/5VUR-H4B/5VUR-H4B_ligand.pdbqt | data/5V/5VUR-H4B/5VUR-H4B_target.pdbqt | data/5V/5VUR-H4B/5VUR-H4B_decoys.pdbqt | data/5V/5VUR-H4B/5VUR-H4B_decoy_scores.csv |
5VM6-9EG | data/5V/5VM6-9EG/5VM6-9EG_ligand.pdbqt | data/5V/5VM6-9EG/5VM6-9EG_target.pdbqt | data/5V/5VM6-9EG/5VM6-9EG_decoys.pdbqt | data/5V/5VM6-9EG/5VM6-9EG_decoy_scores.csv |
5VCQ-BN7 | data/5V/5VCQ-BN7/5VCQ-BN7_ligand.pdbqt | data/5V/5VCQ-BN7/5VCQ-BN7_target.pdbqt | data/5V/5VCQ-BN7/5VCQ-BN7_decoys.pdbqt | data/5V/5VCQ-BN7/5VCQ-BN7_decoy_scores.csv |
5VVG-H4B | data/5V/5VVG-H4B/5VVG-H4B_ligand.pdbqt | data/5V/5VVG-H4B/5VVG-H4B_target.pdbqt | null | null |
5V71-GDP | data/5V/5V71-GDP/5V71-GDP_ligand.pdbqt | data/5V/5V71-GDP/5V71-GDP_target.pdbqt | data/5V/5V71-GDP/5V71-GDP_decoys.pdbqt | data/5V/5V71-GDP/5V71-GDP_decoy_scores.csv |
5VO4-9FG | data/5V/5VO4-9FG/5VO4-9FG_ligand.pdbqt | data/5V/5VO4-9FG/5VO4-9FG_target.pdbqt | data/5V/5VO4-9FG/5VO4-9FG_decoys.pdbqt | data/5V/5VO4-9FG/5VO4-9FG_decoy_scores.csv |
5VVI-6DB | data/5V/5VVI-6DB/5VVI-6DB_ligand.pdbqt | data/5V/5VVI-6DB/5VVI-6DB_target.pdbqt | data/5V/5VVI-6DB/5VVI-6DB_decoys.pdbqt | data/5V/5VVI-6DB/5VVI-6DB_decoy_scores.csv |
5VVN-P94 | data/5V/5VVN-P94/5VVN-P94_ligand.pdbqt | data/5V/5VVN-P94/5VVN-P94_target.pdbqt | null | null |
5VPX-R07 | data/5V/5VPX-R07/5VPX-R07_ligand.pdbqt | data/5V/5VPX-R07/5VPX-R07_target.pdbqt | data/5V/5VPX-R07/5VPX-R07_decoys.pdbqt | data/5V/5VPX-R07/5VPX-R07_decoy_scores.csv |
5V3Q-MLX | data/5V/5V3Q-MLX/5V3Q-MLX_ligand.pdbqt | data/5V/5V3Q-MLX/5V3Q-MLX_target.pdbqt | data/5V/5V3Q-MLX/5V3Q-MLX_decoys.pdbqt | data/5V/5V3Q-MLX/5V3Q-MLX_decoy_scores.csv |
5VRO-A7S | data/5V/5VRO-A7S/5VRO-A7S_ligand.pdbqt | data/5V/5VRO-A7S/5VRO-A7S_target.pdbqt | data/5V/5VRO-A7S/5VRO-A7S_decoys.pdbqt | data/5V/5VRO-A7S/5VRO-A7S_decoy_scores.csv |
5VIR-9CG | data/5V/5VIR-9CG/5VIR-9CG_ligand.pdbqt | data/5V/5VIR-9CG/5VIR-9CG_target.pdbqt | data/5V/5VIR-9CG/5VIR-9CG_decoys.pdbqt | data/5V/5VIR-9CG/5VIR-9CG_decoy_scores.csv |
5VUZ-H4B | data/5V/5VUZ-H4B/5VUZ-H4B_ligand.pdbqt | data/5V/5VUZ-H4B/5VUZ-H4B_target.pdbqt | data/5V/5VUZ-H4B/5VUZ-H4B_decoys.pdbqt | data/5V/5VUZ-H4B/5VUZ-H4B_decoy_scores.csv |
5VMA-9MR | data/5V/5VMA-9MR/5VMA-9MR_ligand.pdbqt | data/5V/5VMA-9MR/5VMA-9MR_target.pdbqt | data/5V/5VMA-9MR/5VMA-9MR_decoys.pdbqt | data/5V/5VMA-9MR/5VMA-9MR_decoy_scores.csv |
5VFM-HC4 | data/5V/5VFM-HC4/5VFM-HC4_ligand.pdbqt | data/5V/5VFM-HC4/5VFM-HC4_target.pdbqt | data/5V/5VFM-HC4/5VFM-HC4_decoys.pdbqt | data/5V/5VFM-HC4/5VFM-HC4_decoy_scores.csv |
5VV9-H4B | data/5V/5VV9-H4B/5VV9-H4B_ligand.pdbqt | data/5V/5VV9-H4B/5VV9-H4B_target.pdbqt | null | null |
5VBZ-GNP | data/5V/5VBZ-GNP/5VBZ-GNP_ligand.pdbqt | data/5V/5VBZ-GNP/5VBZ-GNP_target.pdbqt | data/5V/5VBZ-GNP/5VBZ-GNP_decoys.pdbqt | data/5V/5VBZ-GNP/5VBZ-GNP_decoy_scores.csv |
5VN4-HSX | data/5V/5VN4-HSX/5VN4-HSX_ligand.pdbqt | data/5V/5VN4-HSX/5VN4-HSX_target.pdbqt | data/5V/5VN4-HSX/5VN4-HSX_decoys.pdbqt | data/5V/5VN4-HSX/5VN4-HSX_decoy_scores.csv |
5VYS-1YJ | data/5V/5VYS-1YJ/5VYS-1YJ_ligand.pdbqt | data/5V/5VYS-1YJ/5VYS-1YJ_target.pdbqt | data/5V/5VYS-1YJ/5VYS-1YJ_decoys.pdbqt | data/5V/5VYS-1YJ/5VYS-1YJ_decoy_scores.csv |
5VD5-99M | data/5V/5VD5-99M/5VD5-99M_ligand.pdbqt | data/5V/5VD5-99M/5VD5-99M_target.pdbqt | data/5V/5VD5-99M/5VD5-99M_decoys.pdbqt | data/5V/5VD5-99M/5VD5-99M_decoy_scores.csv |
5V0T-G6P | data/5V/5V0T-G6P/5V0T-G6P_ligand.pdbqt | data/5V/5V0T-G6P/5V0T-G6P_target.pdbqt | data/5V/5V0T-G6P/5V0T-G6P_decoys.pdbqt | data/5V/5V0T-G6P/5V0T-G6P_decoy_scores.csv |
5VND-9ES | data/5V/5VND-9ES/5VND-9ES_ligand.pdbqt | data/5V/5VND-9ES/5VND-9ES_target.pdbqt | data/5V/5VND-9ES/5VND-9ES_decoys.pdbqt | data/5V/5VND-9ES/5VND-9ES_decoy_scores.csv |
5VWR-PL6 | data/5V/5VWR-PL6/5VWR-PL6_ligand.pdbqt | data/5V/5VWR-PL6/5VWR-PL6_target.pdbqt | data/5V/5VWR-PL6/5VWR-PL6_decoys.pdbqt | data/5V/5VWR-PL6/5VWR-PL6_decoy_scores.csv |
2G21-L1B | data/2G/2G21-L1B/2G21-L1B_ligand.pdbqt | data/2G/2G21-L1B/2G21-L1B_target.pdbqt | data/2G/2G21-L1B/2G21-L1B_decoys.pdbqt | data/2G/2G21-L1B/2G21-L1B_decoy_scores.csv |
2GQA-FMN | data/2G/2GQA-FMN/2GQA-FMN_ligand.pdbqt | data/2G/2GQA-FMN/2GQA-FMN_target.pdbqt | data/2G/2GQA-FMN/2GQA-FMN_decoys.pdbqt | data/2G/2GQA-FMN/2GQA-FMN_decoy_scores.csv |
2GQ8-FMN | data/2G/2GQ8-FMN/2GQ8-FMN_ligand.pdbqt | data/2G/2GQ8-FMN/2GQ8-FMN_target.pdbqt | data/2G/2GQ8-FMN/2GQ8-FMN_decoys.pdbqt | data/2G/2GQ8-FMN/2GQ8-FMN_decoy_scores.csv |
2GH6-CF3 | data/2G/2GH6-CF3/2GH6-CF3_ligand.pdbqt | data/2G/2GH6-CF3/2GH6-CF3_target.pdbqt | data/2G/2GH6-CF3/2GH6-CF3_decoys.pdbqt | data/2G/2GH6-CF3/2GH6-CF3_decoy_scores.csv |
2GAG-FMN | data/2G/2GAG-FMN/2GAG-FMN_ligand.pdbqt | data/2G/2GAG-FMN/2GAG-FMN_target.pdbqt | data/2G/2GAG-FMN/2GAG-FMN_decoys.pdbqt | data/2G/2GAG-FMN/2GAG-FMN_decoy_scores.csv |
2GVV-DI9 | data/2G/2GVV-DI9/2GVV-DI9_ligand.pdbqt | data/2G/2GVV-DI9/2GVV-DI9_target.pdbqt | data/2G/2GVV-DI9/2GVV-DI9_decoys.pdbqt | data/2G/2GVV-DI9/2GVV-DI9_decoy_scores.csv |
2G6P-HM2 | data/2G/2G6P-HM2/2G6P-HM2_ligand.pdbqt | data/2G/2G6P-HM2/2G6P-HM2_target.pdbqt | data/2G/2G6P-HM2/2G6P-HM2_decoys.pdbqt | data/2G/2G6P-HM2/2G6P-HM2_decoy_scores.csv |
2G8D-UMP | data/2G/2G8D-UMP/2G8D-UMP_ligand.pdbqt | data/2G/2G8D-UMP/2G8D-UMP_target.pdbqt | data/2G/2G8D-UMP/2G8D-UMP_decoys.pdbqt | data/2G/2G8D-UMP/2G8D-UMP_decoy_scores.csv |
2GZS-DFP | data/2G/2GZS-DFP/2GZS-DFP_ligand.pdbqt | data/2G/2GZS-DFP/2GZS-DFP_target.pdbqt | data/2G/2GZS-DFP/2GZS-DFP_decoys.pdbqt | data/2G/2GZS-DFP/2GZS-DFP_decoy_scores.csv |
2G5V-22M | data/2G/2G5V-22M/2G5V-22M_ligand.pdbqt | data/2G/2G5V-22M/2G5V-22M_target.pdbqt | data/2G/2G5V-22M/2G5V-22M_decoys.pdbqt | data/2G/2G5V-22M/2G5V-22M_decoy_scores.csv |
2GM3-AMP | data/2G/2GM3-AMP/2GM3-AMP_ligand.pdbqt | data/2G/2GM3-AMP/2GM3-AMP_target.pdbqt | data/2G/2GM3-AMP/2GM3-AMP_decoys.pdbqt | data/2G/2GM3-AMP/2GM3-AMP_decoy_scores.csv |
2GNJ-Y27 | data/2G/2GNJ-Y27/2GNJ-Y27_ligand.pdbqt | data/2G/2GNJ-Y27/2GNJ-Y27_target.pdbqt | data/2G/2GNJ-Y27/2GNJ-Y27_decoys.pdbqt | data/2G/2GNJ-Y27/2GNJ-Y27_decoy_scores.csv |
2GIQ-NN2 | data/2G/2GIQ-NN2/2GIQ-NN2_ligand.pdbqt | data/2G/2GIQ-NN2/2GIQ-NN2_target.pdbqt | data/2G/2GIQ-NN2/2GIQ-NN2_decoys.pdbqt | data/2G/2GIQ-NN2/2GIQ-NN2_decoy_scores.csv |
2GTM-LID | data/2G/2GTM-LID/2GTM-LID_ligand.pdbqt | data/2G/2GTM-LID/2GTM-LID_target.pdbqt | data/2G/2GTM-LID/2GTM-LID_decoys.pdbqt | data/2G/2GTM-LID/2GTM-LID_decoy_scores.csv |
2GDJ-ANP | data/2G/2GDJ-ANP/2GDJ-ANP_ligand.pdbqt | data/2G/2GDJ-ANP/2GDJ-ANP_target.pdbqt | data/2G/2GDJ-ANP/2GDJ-ANP_decoys.pdbqt | data/2G/2GDJ-ANP/2GDJ-ANP_decoy_scores.csv |
2G8R-N3E | data/2G/2G8R-N3E/2G8R-N3E_ligand.pdbqt | data/2G/2G8R-N3E/2G8R-N3E_target.pdbqt | data/2G/2G8R-N3E/2G8R-N3E_decoys.pdbqt | data/2G/2G8R-N3E/2G8R-N3E_decoy_scores.csv |
2GNF-Y27 | data/2G/2GNF-Y27/2GNF-Y27_ligand.pdbqt | data/2G/2GNF-Y27/2GNF-Y27_target.pdbqt | data/2G/2GNF-Y27/2GNF-Y27_decoys.pdbqt | data/2G/2GNF-Y27/2GNF-Y27_decoy_scores.csv |
2GLR-GTX | data/2G/2GLR-GTX/2GLR-GTX_ligand.pdbqt | data/2G/2GLR-GTX/2GLR-GTX_target.pdbqt | data/2G/2GLR-GTX/2GLR-GTX_decoys.pdbqt | data/2G/2GLR-GTX/2GLR-GTX_decoy_scores.csv |
2GZ5-OVA | data/2G/2GZ5-OVA/2GZ5-OVA_ligand.pdbqt | data/2G/2GZ5-OVA/2GZ5-OVA_target.pdbqt | data/2G/2GZ5-OVA/2GZ5-OVA_decoys.pdbqt | data/2G/2GZ5-OVA/2GZ5-OVA_decoy_scores.csv |
2GWK-ATP | data/2G/2GWK-ATP/2GWK-ATP_ligand.pdbqt | data/2G/2GWK-ATP/2GWK-ATP_target.pdbqt | data/2G/2GWK-ATP/2GWK-ATP_decoys.pdbqt | data/2G/2GWK-ATP/2GWK-ATP_decoy_scores.csv |
2GSA-PMP | data/2G/2GSA-PMP/2GSA-PMP_ligand.pdbqt | data/2G/2GSA-PMP/2GSA-PMP_target.pdbqt | data/2G/2GSA-PMP/2GSA-PMP_decoys.pdbqt | data/2G/2GSA-PMP/2GSA-PMP_decoy_scores.csv |
2GC8-885 | data/2G/2GC8-885/2GC8-885_ligand.pdbqt | data/2G/2GC8-885/2GC8-885_target.pdbqt | data/2G/2GC8-885/2GC8-885_decoys.pdbqt | data/2G/2GC8-885/2GC8-885_decoy_scores.csv |
2G09-PIN | data/2G/2G09-PIN/2G09-PIN_ligand.pdbqt | data/2G/2G09-PIN/2G09-PIN_target.pdbqt | data/2G/2G09-PIN/2G09-PIN_decoys.pdbqt | data/2G/2G09-PIN/2G09-PIN_decoy_scores.csv |
2G7Z-HXA | data/2G/2G7Z-HXA/2G7Z-HXA_ligand.pdbqt | data/2G/2G7Z-HXA/2G7Z-HXA_target.pdbqt | data/2G/2G7Z-HXA/2G7Z-HXA_decoys.pdbqt | data/2G/2G7Z-HXA/2G7Z-HXA_decoy_scores.csv |
2G8N-SAH | data/2G/2G8N-SAH/2G8N-SAH_ligand.pdbqt | data/2G/2G8N-SAH/2G8N-SAH_target.pdbqt | data/2G/2G8N-SAH/2G8N-SAH_decoys.pdbqt | data/2G/2G8N-SAH/2G8N-SAH_decoy_scores.csv |
2GCP-GSP | data/2G/2GCP-GSP/2GCP-GSP_ligand.pdbqt | data/2G/2GCP-GSP/2GCP-GSP_target.pdbqt | data/2G/2GCP-GSP/2GCP-GSP_decoys.pdbqt | data/2G/2GCP-GSP/2GCP-GSP_decoy_scores.csv |
2GG6-S3P | data/2G/2GG6-S3P/2GG6-S3P_ligand.pdbqt | data/2G/2GG6-S3P/2GG6-S3P_target.pdbqt | data/2G/2GG6-S3P/2GG6-S3P_decoys.pdbqt | data/2G/2GG6-S3P/2GG6-S3P_decoy_scores.csv |
2GBP-BGC | data/2G/2GBP-BGC/2GBP-BGC_ligand.pdbqt | data/2G/2GBP-BGC/2GBP-BGC_target.pdbqt | data/2G/2GBP-BGC/2GBP-BGC_decoys.pdbqt | data/2G/2GBP-BGC/2GBP-BGC_decoy_scores.csv |
2GG2-U12 | data/2G/2GG2-U12/2GG2-U12_ligand.pdbqt | data/2G/2GG2-U12/2GG2-U12_target.pdbqt | data/2G/2GG2-U12/2GG2-U12_decoys.pdbqt | data/2G/2GG2-U12/2GG2-U12_decoy_scores.csv |
2GKS-ADP | data/2G/2GKS-ADP/2GKS-ADP_ligand.pdbqt | data/2G/2GKS-ADP/2GKS-ADP_target.pdbqt | data/2G/2GKS-ADP/2GKS-ADP_decoys.pdbqt | data/2G/2GKS-ADP/2GKS-ADP_decoy_scores.csv |
2GSR-GTS | data/2G/2GSR-GTS/2GSR-GTS_ligand.pdbqt | data/2G/2GSR-GTS/2GSR-GTS_target.pdbqt | data/2G/2GSR-GTS/2GSR-GTS_decoys.pdbqt | data/2G/2GSR-GTS/2GSR-GTS_decoy_scores.csv |
2G25-TDK | data/2G/2G25-TDK/2G25-TDK_ligand.pdbqt | data/2G/2G25-TDK/2G25-TDK_target.pdbqt | data/2G/2G25-TDK/2G25-TDK_decoys.pdbqt | data/2G/2G25-TDK/2G25-TDK_decoy_scores.csv |
2GSQ-GBI | data/2G/2GSQ-GBI/2GSQ-GBI_ligand.pdbqt | data/2G/2GSQ-GBI/2GSQ-GBI_target.pdbqt | data/2G/2GSQ-GBI/2GSQ-GBI_decoys.pdbqt | data/2G/2GSQ-GBI/2GSQ-GBI_decoy_scores.csv |
2G26-3LG | data/2G/2G26-3LG/2G26-3LG_ligand.pdbqt | data/2G/2G26-3LG/2G26-3LG_target.pdbqt | data/2G/2G26-3LG/2G26-3LG_decoys.pdbqt | data/2G/2G26-3LG/2G26-3LG_decoy_scores.csv |
2GVG-NMN | data/2G/2GVG-NMN/2GVG-NMN_ligand.pdbqt | data/2G/2GVG-NMN/2GVG-NMN_target.pdbqt | data/2G/2GVG-NMN/2GVG-NMN_decoys.pdbqt | data/2G/2GVG-NMN/2GVG-NMN_decoy_scores.csv |
2GYI-HYA | data/2G/2GYI-HYA/2GYI-HYA_ligand.pdbqt | data/2G/2GYI-HYA/2GYI-HYA_target.pdbqt | data/2G/2GYI-HYA/2GYI-HYA_decoys.pdbqt | data/2G/2GYI-HYA/2GYI-HYA_decoy_scores.csv |
2GZL-2AA | data/2G/2GZL-2AA/2GZL-2AA_ligand.pdbqt | data/2G/2GZL-2AA/2GZL-2AA_target.pdbqt | data/2G/2GZL-2AA/2GZL-2AA_decoys.pdbqt | data/2G/2GZL-2AA/2GZL-2AA_decoy_scores.csv |
2GKO-PMS | data/2G/2GKO-PMS/2GKO-PMS_ligand.pdbqt | data/2G/2GKO-PMS/2GKO-PMS_target.pdbqt | data/2G/2GKO-PMS/2GKO-PMS_decoys.pdbqt | data/2G/2GKO-PMS/2GKO-PMS_decoy_scores.csv |
2GAH-FMN | data/2G/2GAH-FMN/2GAH-FMN_ligand.pdbqt | data/2G/2GAH-FMN/2GAH-FMN_target.pdbqt | data/2G/2GAH-FMN/2GAH-FMN_decoys.pdbqt | data/2G/2GAH-FMN/2GAH-FMN_decoy_scores.csv |
2GZ7-D3F | data/2G/2GZ7-D3F/2GZ7-D3F_ligand.pdbqt | data/2G/2GZ7-D3F/2GZ7-D3F_target.pdbqt | data/2G/2GZ7-D3F/2GZ7-D3F_decoys.pdbqt | data/2G/2GZ7-D3F/2GZ7-D3F_decoy_scores.csv |
2G6L-HBI | data/2G/2G6L-HBI/2G6L-HBI_ligand.pdbqt | data/2G/2G6L-HBI/2G6L-HBI_target.pdbqt | data/2G/2G6L-HBI/2G6L-HBI_decoys.pdbqt | data/2G/2G6L-HBI/2G6L-HBI_decoy_scores.csv |
2G8A-UMP | data/2G/2G8A-UMP/2G8A-UMP_ligand.pdbqt | data/2G/2G8A-UMP/2G8A-UMP_target.pdbqt | data/2G/2G8A-UMP/2G8A-UMP_decoys.pdbqt | data/2G/2G8A-UMP/2G8A-UMP_decoy_scores.csv |
2G71-FTS | data/2G/2G71-FTS/2G71-FTS_ligand.pdbqt | data/2G/2G71-FTS/2G71-FTS_target.pdbqt | data/2G/2G71-FTS/2G71-FTS_decoys.pdbqt | data/2G/2G71-FTS/2G71-FTS_decoy_scores.csv |
2GZ8-F3F | data/2G/2GZ8-F3F/2GZ8-F3F_ligand.pdbqt | data/2G/2GZ8-F3F/2GZ8-F3F_target.pdbqt | data/2G/2GZ8-F3F/2GZ8-F3F_decoys.pdbqt | data/2G/2GZ8-F3F/2GZ8-F3F_decoy_scores.csv |
2GTK-208 | data/2G/2GTK-208/2GTK-208_ligand.pdbqt | data/2G/2GTK-208/2GTK-208_target.pdbqt | data/2G/2GTK-208/2GTK-208_decoys.pdbqt | data/2G/2GTK-208/2GTK-208_decoy_scores.csv |
2G0H-SP3 | data/2G/2G0H-SP3/2G0H-SP3_ligand.pdbqt | data/2G/2G0H-SP3/2G0H-SP3_target.pdbqt | data/2G/2G0H-SP3/2G0H-SP3_decoys.pdbqt | data/2G/2G0H-SP3/2G0H-SP3_decoy_scores.csv |
2GG9-U16 | data/2G/2GG9-U16/2GG9-U16_ligand.pdbqt | data/2G/2GG9-U16/2GG9-U16_target.pdbqt | data/2G/2GG9-U16/2GG9-U16_decoys.pdbqt | data/2G/2GG9-U16/2GG9-U16_decoy_scores.csv |
2G06-PIN | data/2G/2G06-PIN/2G06-PIN_ligand.pdbqt | data/2G/2G06-PIN/2G06-PIN_target.pdbqt | data/2G/2G06-PIN/2G06-PIN_decoys.pdbqt | data/2G/2G06-PIN/2G06-PIN_decoy_scores.csv |
2GMT-HIN | data/2G/2GMT-HIN/2GMT-HIN_ligand.pdbqt | data/2G/2GMT-HIN/2GMT-HIN_target.pdbqt | data/2G/2GMT-HIN/2GMT-HIN_decoys.pdbqt | data/2G/2GMT-HIN/2GMT-HIN_decoy_scores.csv |
2GA2-A19 | data/2G/2GA2-A19/2GA2-A19_ligand.pdbqt | data/2G/2GA2-A19/2GA2-A19_target.pdbqt | data/2G/2GA2-A19/2GA2-A19_decoys.pdbqt | data/2G/2GA2-A19/2GA2-A19_decoy_scores.csv |
2G5C-NAD | data/2G/2G5C-NAD/2G5C-NAD_ligand.pdbqt | data/2G/2G5C-NAD/2G5C-NAD_target.pdbqt | data/2G/2G5C-NAD/2G5C-NAD_decoys.pdbqt | data/2G/2G5C-NAD/2G5C-NAD_decoy_scores.csv |
2GHM-LIC | data/2G/2GHM-LIC/2GHM-LIC_ligand.pdbqt | data/2G/2GHM-LIC/2GHM-LIC_target.pdbqt | data/2G/2GHM-LIC/2GHM-LIC_decoys.pdbqt | data/2G/2GHM-LIC/2GHM-LIC_decoy_scores.csv |
2GA4-ADE | data/2G/2GA4-ADE/2GA4-ADE_ligand.pdbqt | data/2G/2GA4-ADE/2GA4-ADE_target.pdbqt | data/2G/2GA4-ADE/2GA4-ADE_decoys.pdbqt | data/2G/2GA4-ADE/2GA4-ADE_decoy_scores.csv |
2G76-NAD | data/2G/2G76-NAD/2G76-NAD_ligand.pdbqt | data/2G/2G76-NAD/2G76-NAD_target.pdbqt | data/2G/2G76-NAD/2G76-NAD_decoys.pdbqt | data/2G/2G76-NAD/2G76-NAD_decoy_scores.csv |
2GAB-NE2 | data/2G/2GAB-NE2/2GAB-NE2_ligand.pdbqt | data/2G/2GAB-NE2/2GAB-NE2_target.pdbqt | data/2G/2GAB-NE2/2GAB-NE2_decoys.pdbqt | data/2G/2GAB-NE2/2GAB-NE2_decoy_scores.csv |
2G1Y-5IG | data/2G/2G1Y-5IG/2G1Y-5IG_ligand.pdbqt | data/2G/2G1Y-5IG/2G1Y-5IG_target.pdbqt | data/2G/2G1Y-5IG/2G1Y-5IG_decoys.pdbqt | data/2G/2G1Y-5IG/2G1Y-5IG_decoy_scores.csv |
2GOU-PE4 | data/2G/2GOU-PE4/2GOU-PE4_ligand.pdbqt | data/2G/2GOU-PE4/2GOU-PE4_target.pdbqt | data/2G/2GOU-PE4/2GOU-PE4_decoys.pdbqt | data/2G/2GOU-PE4/2GOU-PE4_decoy_scores.csv |
2GSM-DMU | data/2G/2GSM-DMU/2GSM-DMU_ligand.pdbqt | data/2G/2GSM-DMU/2GSM-DMU_target.pdbqt | data/2G/2GSM-DMU/2GSM-DMU_decoys.pdbqt | data/2G/2GSM-DMU/2GSM-DMU_decoy_scores.csv |
2G36-TRP | data/2G/2G36-TRP/2G36-TRP_ligand.pdbqt | data/2G/2G36-TRP/2G36-TRP_target.pdbqt | data/2G/2G36-TRP/2G36-TRP_decoys.pdbqt | data/2G/2G36-TRP/2G36-TRP_decoy_scores.csv |
2G8E-0M6 | data/2G/2G8E-0M6/2G8E-0M6_ligand.pdbqt | data/2G/2G8E-0M6/2G8E-0M6_target.pdbqt | data/2G/2G8E-0M6/2G8E-0M6_decoys.pdbqt | data/2G/2G8E-0M6/2G8E-0M6_decoy_scores.csv |
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