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 ⌀ |
|---|---|---|---|---|
3G0E-B49 | data/3G/3G0E-B49/3G0E-B49_ligand.pdbqt | data/3G/3G0E-B49/3G0E-B49_target.pdbqt | data/3G/3G0E-B49/3G0E-B49_decoys.pdbqt | data/3G/3G0E-B49/3G0E-B49_decoy_scores.csv |
3GI5-K62 | data/3G/3GI5-K62/3GI5-K62_ligand.pdbqt | data/3G/3GI5-K62/3GI5-K62_target.pdbqt | data/3G/3GI5-K62/3GI5-K62_decoys.pdbqt | data/3G/3GI5-K62/3GI5-K62_decoy_scores.csv |
3G3X-MTN | data/3G/3G3X-MTN/3G3X-MTN_ligand.pdbqt | data/3G/3G3X-MTN/3G3X-MTN_target.pdbqt | data/3G/3G3X-MTN/3G3X-MTN_decoys.pdbqt | data/3G/3G3X-MTN/3G3X-MTN_decoy_scores.csv |
3G2Y-GF4 | data/3G/3G2Y-GF4/3G2Y-GF4_ligand.pdbqt | data/3G/3G2Y-GF4/3G2Y-GF4_target.pdbqt | data/3G/3G2Y-GF4/3G2Y-GF4_decoys.pdbqt | data/3G/3G2Y-GF4/3G2Y-GF4_decoy_scores.csv |
3GNP-SOG | data/3G/3GNP-SOG/3GNP-SOG_ligand.pdbqt | data/3G/3GNP-SOG/3GNP-SOG_target.pdbqt | data/3G/3GNP-SOG/3GNP-SOG_decoys.pdbqt | data/3G/3GNP-SOG/3GNP-SOG_decoy_scores.csv |
3GW9-VNI | data/3G/3GW9-VNI/3GW9-VNI_ligand.pdbqt | data/3G/3GW9-VNI/3GW9-VNI_target.pdbqt | data/3G/3GW9-VNI/3GW9-VNI_decoys.pdbqt | data/3G/3GW9-VNI/3GW9-VNI_decoy_scores.csv |
3G86-T18 | data/3G/3G86-T18/3G86-T18_ligand.pdbqt | data/3G/3G86-T18/3G86-T18_target.pdbqt | data/3G/3G86-T18/3G86-T18_decoys.pdbqt | data/3G/3G86-T18/3G86-T18_decoy_scores.csv |
3G6H-G6H | data/3G/3G6H-G6H/3G6H-G6H_ligand.pdbqt | data/3G/3G6H-G6H/3G6H-G6H_target.pdbqt | data/3G/3G6H-G6H/3G6H-G6H_decoys.pdbqt | data/3G/3G6H-G6H/3G6H-G6H_decoy_scores.csv |
3G7J-GTX | data/3G/3G7J-GTX/3G7J-GTX_ligand.pdbqt | data/3G/3G7J-GTX/3G7J-GTX_target.pdbqt | data/3G/3G7J-GTX/3G7J-GTX_decoys.pdbqt | data/3G/3G7J-GTX/3G7J-GTX_decoy_scores.csv |
3GXO-MQA | data/3G/3GXO-MQA/3GXO-MQA_ligand.pdbqt | data/3G/3GXO-MQA/3GXO-MQA_target.pdbqt | data/3G/3GXO-MQA/3GXO-MQA_decoys.pdbqt | data/3G/3GXO-MQA/3GXO-MQA_decoy_scores.csv |
3GUE-UPG | data/3G/3GUE-UPG/3GUE-UPG_ligand.pdbqt | data/3G/3GUE-UPG/3GUE-UPG_target.pdbqt | data/3G/3GUE-UPG/3GUE-UPG_decoys.pdbqt | data/3G/3GUE-UPG/3GUE-UPG_decoy_scores.csv |
3GM0-B41 | data/3G/3GM0-B41/3GM0-B41_ligand.pdbqt | data/3G/3GM0-B41/3GM0-B41_target.pdbqt | data/3G/3GM0-B41/3GM0-B41_decoys.pdbqt | data/3G/3GM0-B41/3GM0-B41_decoy_scores.csv |
3GKO-AZA | data/3G/3GKO-AZA/3GKO-AZA_ligand.pdbqt | data/3G/3GKO-AZA/3GKO-AZA_target.pdbqt | data/3G/3GKO-AZA/3GKO-AZA_decoys.pdbqt | data/3G/3GKO-AZA/3GKO-AZA_decoy_scores.csv |
3GTC-GTC | data/3G/3GTC-GTC/3GTC-GTC_ligand.pdbqt | data/3G/3GTC-GTC/3GTC-GTC_target.pdbqt | data/3G/3GTC-GTC/3GTC-GTC_decoys.pdbqt | data/3G/3GTC-GTC/3GTC-GTC_decoy_scores.csv |
3GLQ-RAB | data/3G/3GLQ-RAB/3GLQ-RAB_ligand.pdbqt | data/3G/3GLQ-RAB/3GLQ-RAB_target.pdbqt | data/3G/3GLQ-RAB/3GLQ-RAB_decoys.pdbqt | data/3G/3GLQ-RAB/3GLQ-RAB_decoy_scores.csv |
3GON-ANP | data/3G/3GON-ANP/3GON-ANP_ligand.pdbqt | data/3G/3GON-ANP/3GON-ANP_target.pdbqt | data/3G/3GON-ANP/3GON-ANP_decoys.pdbqt | data/3G/3GON-ANP/3GON-ANP_decoy_scores.csv |
3GUZ-PAF | data/3G/3GUZ-PAF/3GUZ-PAF_ligand.pdbqt | data/3G/3GUZ-PAF/3GUZ-PAF_target.pdbqt | data/3G/3GUZ-PAF/3GUZ-PAF_decoys.pdbqt | data/3G/3GUZ-PAF/3GUZ-PAF_decoy_scores.csv |
3GNE-FLC | data/3G/3GNE-FLC/3GNE-FLC_ligand.pdbqt | data/3G/3GNE-FLC/3GNE-FLC_target.pdbqt | data/3G/3GNE-FLC/3GNE-FLC_decoys.pdbqt | data/3G/3GNE-FLC/3GNE-FLC_decoy_scores.csv |
3GEG-NAD | data/3G/3GEG-NAD/3GEG-NAD_ligand.pdbqt | data/3G/3GEG-NAD/3GEG-NAD_target.pdbqt | data/3G/3GEG-NAD/3GEG-NAD_decoys.pdbqt | data/3G/3GEG-NAD/3GEG-NAD_decoy_scores.csv |
3GBU-ATP | data/3G/3GBU-ATP/3GBU-ATP_ligand.pdbqt | data/3G/3GBU-ATP/3GBU-ATP_target.pdbqt | data/3G/3GBU-ATP/3GBU-ATP_decoys.pdbqt | data/3G/3GBU-ATP/3GBU-ATP_decoy_scores.csv |
3GTA-BTB | data/3G/3GTA-BTB/3GTA-BTB_ligand.pdbqt | data/3G/3GTA-BTB/3GTA-BTB_target.pdbqt | null | null |
3GZD-PLR | data/3G/3GZD-PLR/3GZD-PLR_ligand.pdbqt | data/3G/3GZD-PLR/3GZD-PLR_target.pdbqt | data/3G/3GZD-PLR/3GZD-PLR_decoys.pdbqt | data/3G/3GZD-PLR/3GZD-PLR_decoy_scores.csv |
3GWC-UFP | data/3G/3GWC-UFP/3GWC-UFP_ligand.pdbqt | data/3G/3GWC-UFP/3GWC-UFP_target.pdbqt | data/3G/3GWC-UFP/3GWC-UFP_decoys.pdbqt | data/3G/3GWC-UFP/3GWC-UFP_decoy_scores.csv |
3GJ5-GDP | data/3G/3GJ5-GDP/3GJ5-GDP_ligand.pdbqt | data/3G/3GJ5-GDP/3GJ5-GDP_target.pdbqt | data/3G/3GJ5-GDP/3GJ5-GDP_decoys.pdbqt | data/3G/3GJ5-GDP/3GJ5-GDP_decoy_scores.csv |
3G30-G30 | data/3G/3G30-G30/3G30-G30_ligand.pdbqt | data/3G/3G30-G30/3G30-G30_target.pdbqt | data/3G/3G30-G30/3G30-G30_decoys.pdbqt | data/3G/3G30-G30/3G30-G30_decoy_scores.csv |
3G0U-FMN | data/3G/3G0U-FMN/3G0U-FMN_ligand.pdbqt | data/3G/3G0U-FMN/3G0U-FMN_target.pdbqt | data/3G/3G0U-FMN/3G0U-FMN_decoys.pdbqt | data/3G/3G0U-FMN/3G0U-FMN_decoy_scores.csv |
3G81-MMA | data/3G/3G81-MMA/3G81-MMA_ligand.pdbqt | data/3G/3G81-MMA/3G81-MMA_target.pdbqt | data/3G/3G81-MMA/3G81-MMA_decoys.pdbqt | data/3G/3G81-MMA/3G81-MMA_decoy_scores.csv |
3GBH-FMN | data/3G/3GBH-FMN/3GBH-FMN_ligand.pdbqt | data/3G/3GBH-FMN/3GBH-FMN_target.pdbqt | data/3G/3GBH-FMN/3GBH-FMN_decoys.pdbqt | data/3G/3GBH-FMN/3GBH-FMN_decoy_scores.csv |
3GQY-FBP | data/3G/3GQY-FBP/3GQY-FBP_ligand.pdbqt | data/3G/3GQY-FBP/3GQY-FBP_target.pdbqt | data/3G/3GQY-FBP/3GQY-FBP_decoys.pdbqt | data/3G/3GQY-FBP/3GQY-FBP_decoy_scores.csv |
3GYD-CMP | data/3G/3GYD-CMP/3GYD-CMP_ligand.pdbqt | data/3G/3GYD-CMP/3GYD-CMP_target.pdbqt | data/3G/3GYD-CMP/3GYD-CMP_decoys.pdbqt | data/3G/3GYD-CMP/3GYD-CMP_decoy_scores.csv |
3GKZ-B40 | data/3G/3GKZ-B40/3GKZ-B40_ligand.pdbqt | data/3G/3GKZ-B40/3GKZ-B40_target.pdbqt | data/3G/3GKZ-B40/3GKZ-B40_decoys.pdbqt | data/3G/3GKZ-B40/3GKZ-B40_decoy_scores.csv |
3G3N-TC8 | data/3G/3G3N-TC8/3G3N-TC8_ligand.pdbqt | data/3G/3G3N-TC8/3G3N-TC8_target.pdbqt | data/3G/3G3N-TC8/3G3N-TC8_decoys.pdbqt | data/3G/3G3N-TC8/3G3N-TC8_decoy_scores.csv |
3G3H-GLU | data/3G/3G3H-GLU/3G3H-GLU_ligand.pdbqt | data/3G/3G3H-GLU/3G3H-GLU_target.pdbqt | data/3G/3G3H-GLU/3G3H-GLU_decoys.pdbqt | data/3G/3G3H-GLU/3G3H-GLU_decoy_scores.csv |
3GY6-BRN | data/3G/3GY6-BRN/3GY6-BRN_ligand.pdbqt | data/3G/3GY6-BRN/3GY6-BRN_target.pdbqt | data/3G/3GY6-BRN/3GY6-BRN_decoys.pdbqt | data/3G/3GY6-BRN/3GY6-BRN_decoy_scores.csv |
3GX9-FMN | data/3G/3GX9-FMN/3GX9-FMN_ligand.pdbqt | data/3G/3GX9-FMN/3GX9-FMN_target.pdbqt | data/3G/3GX9-FMN/3GX9-FMN_decoys.pdbqt | data/3G/3GX9-FMN/3GX9-FMN_decoy_scores.csv |
3G4I-D71 | data/3G/3G4I-D71/3G4I-D71_ligand.pdbqt | data/3G/3G4I-D71/3G4I-D71_target.pdbqt | data/3G/3G4I-D71/3G4I-D71_decoys.pdbqt | data/3G/3G4I-D71/3G4I-D71_decoy_scores.csv |
3G2Q-SFG | data/3G/3G2Q-SFG/3G2Q-SFG_ligand.pdbqt | data/3G/3G2Q-SFG/3G2Q-SFG_target.pdbqt | data/3G/3G2Q-SFG/3G2Q-SFG_decoys.pdbqt | data/3G/3G2Q-SFG/3G2Q-SFG_decoy_scores.csv |
3G70-A5T | data/3G/3G70-A5T/3G70-A5T_ligand.pdbqt | data/3G/3G70-A5T/3G70-A5T_target.pdbqt | data/3G/3G70-A5T/3G70-A5T_decoys.pdbqt | data/3G/3G70-A5T/3G70-A5T_decoy_scores.csv |
3GYN-B42 | data/3G/3GYN-B42/3GYN-B42_ligand.pdbqt | data/3G/3GYN-B42/3GYN-B42_target.pdbqt | data/3G/3GYN-B42/3GYN-B42_decoys.pdbqt | data/3G/3GYN-B42/3GYN-B42_decoy_scores.csv |
3G0T-PE4 | data/3G/3G0T-PE4/3G0T-PE4_ligand.pdbqt | data/3G/3G0T-PE4/3G0T-PE4_target.pdbqt | data/3G/3G0T-PE4/3G0T-PE4_decoys.pdbqt | data/3G/3G0T-PE4/3G0T-PE4_decoy_scores.csv |
3G5M-XM5 | data/3G/3G5M-XM5/3G5M-XM5_ligand.pdbqt | data/3G/3G5M-XM5/3G5M-XM5_target.pdbqt | data/3G/3G5M-XM5/3G5M-XM5_decoys.pdbqt | data/3G/3G5M-XM5/3G5M-XM5_decoy_scores.csv |
3GON-PMV | data/3G/3GON-PMV/3GON-PMV_ligand.pdbqt | data/3G/3GON-PMV/3GON-PMV_target.pdbqt | data/3G/3GON-PMV/3GON-PMV_decoys.pdbqt | data/3G/3GON-PMV/3GON-PMV_decoy_scores.csv |
3GIA-D10 | data/3G/3GIA-D10/3GIA-D10_ligand.pdbqt | data/3G/3GIA-D10/3GIA-D10_target.pdbqt | data/3G/3GIA-D10/3GIA-D10_decoys.pdbqt | data/3G/3GIA-D10/3GIA-D10_decoy_scores.csv |
3GGF-GVD | data/3G/3GGF-GVD/3GGF-GVD_ligand.pdbqt | data/3G/3GGF-GVD/3GGF-GVD_target.pdbqt | data/3G/3GGF-GVD/3GGF-GVD_decoys.pdbqt | data/3G/3GGF-GVD/3GGF-GVD_decoy_scores.csv |
3GR8-FMN | data/3G/3GR8-FMN/3GR8-FMN_ligand.pdbqt | data/3G/3GR8-FMN/3GR8-FMN_target.pdbqt | data/3G/3GR8-FMN/3GR8-FMN_decoys.pdbqt | data/3G/3GR8-FMN/3GR8-FMN_decoy_scores.csv |
3GC5-2MQ | data/3G/3GC5-2MQ/3GC5-2MQ_ligand.pdbqt | data/3G/3GC5-2MQ/3GC5-2MQ_target.pdbqt | data/3G/3GC5-2MQ/3GC5-2MQ_decoys.pdbqt | data/3G/3GC5-2MQ/3GC5-2MQ_decoy_scores.csv |
3GZ8-APR | data/3G/3GZ8-APR/3GZ8-APR_ligand.pdbqt | data/3G/3GZ8-APR/3GZ8-APR_target.pdbqt | data/3G/3GZ8-APR/3GZ8-APR_decoys.pdbqt | data/3G/3GZ8-APR/3GZ8-APR_decoy_scores.csv |
3GRR-SAH | data/3G/3GRR-SAH/3GRR-SAH_ligand.pdbqt | data/3G/3GRR-SAH/3GRR-SAH_target.pdbqt | data/3G/3GRR-SAH/3GRR-SAH_decoys.pdbqt | data/3G/3GRR-SAH/3GRR-SAH_decoy_scores.csv |
3GR3-FMN | data/3G/3GR3-FMN/3GR3-FMN_ligand.pdbqt | data/3G/3GR3-FMN/3GR3-FMN_target.pdbqt | data/3G/3GR3-FMN/3GR3-FMN_decoys.pdbqt | data/3G/3GR3-FMN/3GR3-FMN_decoy_scores.csv |
3GTA-851 | data/3G/3GTA-851/3GTA-851_ligand.pdbqt | data/3G/3GTA-851/3GTA-851_target.pdbqt | data/3G/3GTA-851/3GTA-851_decoys.pdbqt | data/3G/3GTA-851/3GTA-851_decoy_scores.csv |
3G9K-GLU | data/3G/3G9K-GLU/3G9K-GLU_ligand.pdbqt | data/3G/3G9K-GLU/3G9K-GLU_target.pdbqt | data/3G/3G9K-GLU/3G9K-GLU_decoys.pdbqt | data/3G/3G9K-GLU/3G9K-GLU_decoy_scores.csv |
3GQZ-GF7 | data/3G/3GQZ-GF7/3GQZ-GF7_ligand.pdbqt | data/3G/3GQZ-GF7/3GQZ-GF7_target.pdbqt | data/3G/3GQZ-GF7/3GQZ-GF7_decoys.pdbqt | data/3G/3GQZ-GF7/3GQZ-GF7_decoy_scores.csv |
3GHS-LDT | data/3G/3GHS-LDT/3GHS-LDT_ligand.pdbqt | data/3G/3GHS-LDT/3GHS-LDT_target.pdbqt | data/3G/3GHS-LDT/3GHS-LDT_decoys.pdbqt | data/3G/3GHS-LDT/3GHS-LDT_decoy_scores.csv |
3G5H-YTT | data/3G/3G5H-YTT/3G5H-YTT_ligand.pdbqt | data/3G/3G5H-YTT/3G5H-YTT_target.pdbqt | data/3G/3G5H-YTT/3G5H-YTT_decoys.pdbqt | data/3G/3G5H-YTT/3G5H-YTT_decoy_scores.csv |
3G4G-D71 | data/3G/3G4G-D71/3G4G-D71_ligand.pdbqt | data/3G/3G4G-D71/3G4G-D71_target.pdbqt | data/3G/3G4G-D71/3G4G-D71_decoys.pdbqt | data/3G/3G4G-D71/3G4G-D71_decoy_scores.csv |
3GR4-DYY | data/3G/3GR4-DYY/3GR4-DYY_ligand.pdbqt | data/3G/3GR4-DYY/3GR4-DYY_target.pdbqt | data/3G/3GR4-DYY/3GR4-DYY_decoys.pdbqt | data/3G/3GR4-DYY/3GR4-DYY_decoy_scores.csv |
3GJ4-GDP | data/3G/3GJ4-GDP/3GJ4-GDP_ligand.pdbqt | data/3G/3GJ4-GDP/3GJ4-GDP_target.pdbqt | data/3G/3GJ4-GDP/3GJ4-GDP_decoys.pdbqt | data/3G/3GJ4-GDP/3GJ4-GDP_decoy_scores.csv |
3GIY-FMN | data/3G/3GIY-FMN/3GIY-FMN_ligand.pdbqt | data/3G/3GIY-FMN/3GIY-FMN_target.pdbqt | data/3G/3GIY-FMN/3GIY-FMN_decoys.pdbqt | data/3G/3GIY-FMN/3GIY-FMN_decoy_scores.csv |
3GBP-BGC | data/3G/3GBP-BGC/3GBP-BGC_ligand.pdbqt | data/3G/3GBP-BGC/3GBP-BGC_target.pdbqt | data/3G/3GBP-BGC/3GBP-BGC_decoys.pdbqt | data/3G/3GBP-BGC/3GBP-BGC_decoy_scores.csv |
3GAY-P6T | data/3G/3GAY-P6T/3GAY-P6T_ligand.pdbqt | data/3G/3GAY-P6T/3GAY-P6T_target.pdbqt | data/3G/3GAY-P6T/3GAY-P6T_decoys.pdbqt | data/3G/3GAY-P6T/3GAY-P6T_decoy_scores.csv |
3GR2-GF4 | data/3G/3GR2-GF4/3GR2-GF4_ligand.pdbqt | data/3G/3GR2-GF4/3GR2-GF4_target.pdbqt | data/3G/3GR2-GF4/3GR2-GF4_decoys.pdbqt | data/3G/3GR2-GF4/3GR2-GF4_decoy_scores.csv |
3GFT-GNP | data/3G/3GFT-GNP/3GFT-GNP_ligand.pdbqt | data/3G/3GFT-GNP/3GFT-GNP_target.pdbqt | data/3G/3GFT-GNP/3GFT-GNP_decoys.pdbqt | data/3G/3GFT-GNP/3GFT-GNP_decoy_scores.csv |
3GGG-NAD | data/3G/3GGG-NAD/3GGG-NAD_ligand.pdbqt | data/3G/3GGG-NAD/3GGG-NAD_target.pdbqt | data/3G/3GGG-NAD/3GGG-NAD_decoys.pdbqt | data/3G/3GGG-NAD/3GGG-NAD_decoy_scores.csv |
3GBD-FLC | data/3G/3GBD-FLC/3GBD-FLC_ligand.pdbqt | data/3G/3GBD-FLC/3GBD-FLC_target.pdbqt | data/3G/3GBD-FLC/3GBD-FLC_decoys.pdbqt | data/3G/3GBD-FLC/3GBD-FLC_decoy_scores.csv |
3GB2-G3B | data/3G/3GB2-G3B/3GB2-G3B_ligand.pdbqt | data/3G/3GB2-G3B/3GB2-G3B_target.pdbqt | data/3G/3GB2-G3B/3GB2-G3B_decoys.pdbqt | data/3G/3GB2-G3B/3GB2-G3B_decoy_scores.csv |
3GUG-C2U | data/3G/3GUG-C2U/3GUG-C2U_ligand.pdbqt | data/3G/3GUG-C2U/3GUG-C2U_target.pdbqt | data/3G/3GUG-C2U/3GUG-C2U_decoys.pdbqt | data/3G/3GUG-C2U/3GUG-C2U_decoy_scores.csv |
3G0U-ORO | data/3G/3G0U-ORO/3G0U-ORO_ligand.pdbqt | data/3G/3G0U-ORO/3G0U-ORO_target.pdbqt | data/3G/3G0U-ORO/3G0U-ORO_decoys.pdbqt | data/3G/3G0U-ORO/3G0U-ORO_decoy_scores.csv |
3G1H-H2U | data/3G/3G1H-H2U/3G1H-H2U_ligand.pdbqt | data/3G/3G1H-H2U/3G1H-H2U_target.pdbqt | data/3G/3G1H-H2U/3G1H-H2U_decoys.pdbqt | data/3G/3G1H-H2U/3G1H-H2U_decoy_scores.csv |
3G1Z-AMP | data/3G/3G1Z-AMP/3G1Z-AMP_ligand.pdbqt | data/3G/3G1Z-AMP/3G1Z-AMP_target.pdbqt | data/3G/3G1Z-AMP/3G1Z-AMP_decoys.pdbqt | data/3G/3G1Z-AMP/3G1Z-AMP_decoy_scores.csv |
3GSH-ASY | data/3G/3GSH-ASY/3GSH-ASY_ligand.pdbqt | data/3G/3GSH-ASY/3GSH-ASY_target.pdbqt | data/3G/3GSH-ASY/3GSH-ASY_decoys.pdbqt | data/3G/3GSH-ASY/3GSH-ASY_decoy_scores.csv |
3GK4-53A | data/3G/3GK4-53A/3GK4-53A_ligand.pdbqt | data/3G/3GK4-53A/3GK4-53A_target.pdbqt | data/3G/3GK4-53A/3GK4-53A_decoys.pdbqt | data/3G/3GK4-53A/3GK4-53A_decoy_scores.csv |
3GCS-BAX | data/3G/3GCS-BAX/3GCS-BAX_ligand.pdbqt | data/3G/3GCS-BAX/3GCS-BAX_target.pdbqt | data/3G/3GCS-BAX/3GCS-BAX_decoys.pdbqt | data/3G/3GCS-BAX/3GCS-BAX_decoy_scores.csv |
3GOC-YES | data/3G/3GOC-YES/3GOC-YES_ligand.pdbqt | data/3G/3GOC-YES/3GOC-YES_target.pdbqt | data/3G/3GOC-YES/3GOC-YES_decoys.pdbqt | data/3G/3GOC-YES/3GOC-YES_decoy_scores.csv |
3G1X-U | data/3G/3G1X-U/3G1X-U_ligand.pdbqt | data/3G/3G1X-U/3G1X-U_target.pdbqt | data/3G/3G1X-U/3G1X-U_decoys.pdbqt | data/3G/3G1X-U/3G1X-U_decoy_scores.csv |
3GY2-BRN | data/3G/3GY2-BRN/3GY2-BRN_ligand.pdbqt | data/3G/3GY2-BRN/3GY2-BRN_target.pdbqt | data/3G/3GY2-BRN/3GY2-BRN_decoys.pdbqt | data/3G/3GY2-BRN/3GY2-BRN_decoy_scores.csv |
3GQT-UFO | data/3G/3GQT-UFO/3GQT-UFO_ligand.pdbqt | data/3G/3GQT-UFO/3GQT-UFO_target.pdbqt | data/3G/3GQT-UFO/3GQT-UFO_decoys.pdbqt | data/3G/3GQT-UFO/3GQT-UFO_decoy_scores.csv |
3GHT-LDT | data/3G/3GHT-LDT/3GHT-LDT_ligand.pdbqt | data/3G/3GHT-LDT/3GHT-LDT_target.pdbqt | data/3G/3GHT-LDT/3GHT-LDT_decoys.pdbqt | data/3G/3GHT-LDT/3GHT-LDT_decoy_scores.csv |
3GNQ-NAD | data/3G/3GNQ-NAD/3GNQ-NAD_ligand.pdbqt | data/3G/3GNQ-NAD/3GNQ-NAD_target.pdbqt | data/3G/3GNQ-NAD/3GNQ-NAD_decoys.pdbqt | data/3G/3GNQ-NAD/3GNQ-NAD_decoy_scores.csv |
3G53-LT1 | data/3G/3G53-LT1/3G53-LT1_ligand.pdbqt | data/3G/3G53-LT1/3G53-LT1_target.pdbqt | data/3G/3G53-LT1/3G53-LT1_decoys.pdbqt | data/3G/3G53-LT1/3G53-LT1_decoy_scores.csv |
3GCH-OAC | data/3G/3GCH-OAC/3GCH-OAC_ligand.pdbqt | data/3G/3GCH-OAC/3GCH-OAC_target.pdbqt | data/3G/3GCH-OAC/3GCH-OAC_decoys.pdbqt | data/3G/3GCH-OAC/3GCH-OAC_decoy_scores.csv |
3G7F-HTO | data/3G/3G7F-HTO/3G7F-HTO_ligand.pdbqt | data/3G/3G7F-HTO/3G7F-HTO_target.pdbqt | data/3G/3G7F-HTO/3G7F-HTO_decoys.pdbqt | data/3G/3G7F-HTO/3G7F-HTO_decoy_scores.csv |
3GC9-B45 | data/3G/3GC9-B45/3GC9-B45_ligand.pdbqt | data/3G/3GC9-B45/3GC9-B45_target.pdbqt | data/3G/3GC9-B45/3GC9-B45_decoys.pdbqt | data/3G/3GC9-B45/3GC9-B45_decoy_scores.csv |
3G2H-KOT | data/3G/3G2H-KOT/3G2H-KOT_ligand.pdbqt | data/3G/3G2H-KOT/3G2H-KOT_target.pdbqt | data/3G/3G2H-KOT/3G2H-KOT_decoys.pdbqt | data/3G/3G2H-KOT/3G2H-KOT_decoy_scores.csv |
3G0I-VPR | data/3G/3G0I-VPR/3G0I-VPR_ligand.pdbqt | data/3G/3G0I-VPR/3G0I-VPR_target.pdbqt | data/3G/3G0I-VPR/3G0I-VPR_decoys.pdbqt | data/3G/3G0I-VPR/3G0I-VPR_decoy_scores.csv |
3G3E-G3E | data/3G/3G3E-G3E/3G3E-G3E_ligand.pdbqt | data/3G/3G3E-G3E/3G3E-G3E_target.pdbqt | data/3G/3G3E-G3E/3G3E-G3E_decoys.pdbqt | data/3G/3G3E-G3E/3G3E-G3E_decoy_scores.csv |
3G1V-5FU | data/3G/3G1V-5FU/3G1V-5FU_ligand.pdbqt | data/3G/3G1V-5FU/3G1V-5FU_target.pdbqt | data/3G/3G1V-5FU/3G1V-5FU_decoys.pdbqt | data/3G/3G1V-5FU/3G1V-5FU_decoy_scores.csv |
3GWZ-SAH | data/3G/3GWZ-SAH/3GWZ-SAH_ligand.pdbqt | data/3G/3GWZ-SAH/3GWZ-SAH_target.pdbqt | data/3G/3GWZ-SAH/3GWZ-SAH_decoys.pdbqt | data/3G/3GWZ-SAH/3GWZ-SAH_decoy_scores.csv |
3G7E-B46 | data/3G/3G7E-B46/3G7E-B46_ligand.pdbqt | data/3G/3G7E-B46/3G7E-B46_target.pdbqt | data/3G/3G7E-B46/3G7E-B46_decoys.pdbqt | data/3G/3G7E-B46/3G7E-B46_decoy_scores.csv |
3GI6-D78 | data/3G/3GI6-D78/3GI6-D78_ligand.pdbqt | data/3G/3GI6-D78/3GI6-D78_target.pdbqt | data/3G/3GI6-D78/3GI6-D78_decoys.pdbqt | data/3G/3GI6-D78/3GI6-D78_decoy_scores.csv |
3G35-F13 | data/3G/3G35-F13/3G35-F13_ligand.pdbqt | data/3G/3G35-F13/3G35-F13_target.pdbqt | data/3G/3G35-F13/3G35-F13_decoys.pdbqt | data/3G/3G35-F13/3G35-F13_decoy_scores.csv |
3G0X-MD7 | data/3G/3G0X-MD7/3G0X-MD7_ligand.pdbqt | data/3G/3G0X-MD7/3G0X-MD7_target.pdbqt | data/3G/3G0X-MD7/3G0X-MD7_decoys.pdbqt | data/3G/3G0X-MD7/3G0X-MD7_decoy_scores.csv |
3GST-GPR | data/3G/3GST-GPR/3GST-GPR_ligand.pdbqt | data/3G/3GST-GPR/3GST-GPR_target.pdbqt | data/3G/3GST-GPR/3GST-GPR_decoys.pdbqt | data/3G/3GST-GPR/3GST-GPR_decoy_scores.csv |
3GL2-D3M | data/3G/3GL2-D3M/3GL2-D3M_ligand.pdbqt | data/3G/3GL2-D3M/3GL2-D3M_target.pdbqt | data/3G/3GL2-D3M/3GL2-D3M_decoys.pdbqt | data/3G/3GL2-D3M/3GL2-D3M_decoy_scores.csv |
3GD4-NAD | data/3G/3GD4-NAD/3GD4-NAD_ligand.pdbqt | data/3G/3GD4-NAD/3GD4-NAD_target.pdbqt | data/3G/3GD4-NAD/3GD4-NAD_decoys.pdbqt | data/3G/3GD4-NAD/3GD4-NAD_decoy_scores.csv |
3GQE-BCN | data/3G/3GQE-BCN/3GQE-BCN_ligand.pdbqt | data/3G/3GQE-BCN/3GQE-BCN_target.pdbqt | data/3G/3GQE-BCN/3GQE-BCN_decoys.pdbqt | data/3G/3GQE-BCN/3GQE-BCN_decoy_scores.csv |
3GRV-ADN | data/3G/3GRV-ADN/3GRV-ADN_ligand.pdbqt | data/3G/3GRV-ADN/3GRV-ADN_target.pdbqt | data/3G/3GRV-ADN/3GRV-ADN_decoys.pdbqt | data/3G/3GRV-ADN/3GRV-ADN_decoy_scores.csv |
3G90-J72 | data/3G/3G90-J72/3G90-J72_ligand.pdbqt | data/3G/3G90-J72/3G90-J72_target.pdbqt | data/3G/3G90-J72/3G90-J72_decoys.pdbqt | data/3G/3G90-J72/3G90-J72_decoy_scores.csv |
3GP6-SDS | data/3G/3GP6-SDS/3GP6-SDS_ligand.pdbqt | data/3G/3GP6-SDS/3GP6-SDS_target.pdbqt | null | null |
3GYU-DL7 | data/3G/3GYU-DL7/3GYU-DL7_ligand.pdbqt | data/3G/3GYU-DL7/3GYU-DL7_target.pdbqt | data/3G/3GYU-DL7/3GYU-DL7_decoys.pdbqt | data/3G/3GYU-DL7/3GYU-DL7_decoy_scores.csv |
3G3F-GLU | data/3G/3G3F-GLU/3G3F-GLU_ligand.pdbqt | data/3G/3G3F-GLU/3G3F-GLU_target.pdbqt | data/3G/3G3F-GLU/3G3F-GLU_decoys.pdbqt | data/3G/3G3F-GLU/3G3F-GLU_decoy_scores.csv |
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