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 ⌀ |
|---|---|---|---|---|
2G77-GDP | data/2G/2G77-GDP/2G77-GDP_ligand.pdbqt | data/2G/2G77-GDP/2G77-GDP_target.pdbqt | null | null |
2GZ2-A2P | data/2G/2GZ2-A2P/2GZ2-A2P_ligand.pdbqt | data/2G/2GZ2-A2P/2GZ2-A2P_target.pdbqt | data/2G/2GZ2-A2P/2GZ2-A2P_decoys.pdbqt | data/2G/2GZ2-A2P/2GZ2-A2P_decoy_scores.csv |
2GZW-CMP | data/2G/2GZW-CMP/2GZW-CMP_ligand.pdbqt | data/2G/2GZW-CMP/2GZW-CMP_target.pdbqt | data/2G/2GZW-CMP/2GZW-CMP_decoys.pdbqt | data/2G/2GZW-CMP/2GZW-CMP_decoy_scores.csv |
2GTN-LIE | data/2G/2GTN-LIE/2GTN-LIE_ligand.pdbqt | data/2G/2GTN-LIE/2GTN-LIE_target.pdbqt | data/2G/2GTN-LIE/2GTN-LIE_decoys.pdbqt | data/2G/2GTN-LIE/2GTN-LIE_decoy_scores.csv |
2G00-4QC | data/2G/2G00-4QC/2G00-4QC_ligand.pdbqt | data/2G/2G00-4QC/2G00-4QC_target.pdbqt | data/2G/2G00-4QC/2G00-4QC_decoys.pdbqt | data/2G/2G00-4QC/2G00-4QC_decoy_scores.csv |
2G2H-P16 | data/2G/2G2H-P16/2G2H-P16_ligand.pdbqt | data/2G/2G2H-P16/2G2H-P16_target.pdbqt | data/2G/2G2H-P16/2G2H-P16_decoys.pdbqt | data/2G/2G2H-P16/2G2H-P16_decoy_scores.csv |
2GRU-NAD | data/2G/2GRU-NAD/2GRU-NAD_ligand.pdbqt | data/2G/2GRU-NAD/2GRU-NAD_target.pdbqt | data/2G/2GRU-NAD/2GRU-NAD_decoys.pdbqt | data/2G/2GRU-NAD/2GRU-NAD_decoy_scores.csv |
2GF0-GDP | data/2G/2GF0-GDP/2GF0-GDP_ligand.pdbqt | data/2G/2GF0-GDP/2GF0-GDP_target.pdbqt | data/2G/2GF0-GDP/2GF0-GDP_decoys.pdbqt | data/2G/2GF0-GDP/2GF0-GDP_decoy_scores.csv |
2GST-GPS | data/2G/2GST-GPS/2GST-GPS_ligand.pdbqt | data/2G/2GST-GPS/2GST-GPS_target.pdbqt | data/2G/2GST-GPS/2GST-GPS_decoys.pdbqt | data/2G/2GST-GPS/2GST-GPS_decoy_scores.csv |
2GSP-SGP | data/2G/2GSP-SGP/2GSP-SGP_ligand.pdbqt | data/2G/2GSP-SGP/2GSP-SGP_target.pdbqt | data/2G/2GSP-SGP/2GSP-SGP_decoys.pdbqt | data/2G/2GSP-SGP/2GSP-SGP_decoy_scores.csv |
2G6L-ARG | data/2G/2G6L-ARG/2G6L-ARG_ligand.pdbqt | data/2G/2G6L-ARG/2G6L-ARG_target.pdbqt | data/2G/2G6L-ARG/2G6L-ARG_decoys.pdbqt | data/2G/2G6L-ARG/2G6L-ARG_decoy_scores.csv |
2GGB-U17 | data/2G/2GGB-U17/2GGB-U17_ligand.pdbqt | data/2G/2GGB-U17/2GGB-U17_target.pdbqt | data/2G/2GGB-U17/2GGB-U17_decoys.pdbqt | data/2G/2GGB-U17/2GGB-U17_decoy_scores.csv |
2GGQ-TTP | data/2G/2GGQ-TTP/2GGQ-TTP_ligand.pdbqt | data/2G/2GGQ-TTP/2GGQ-TTP_target.pdbqt | data/2G/2GGQ-TTP/2GGQ-TTP_decoys.pdbqt | data/2G/2GGQ-TTP/2GGQ-TTP_decoy_scores.csv |
2GQX-5CL | data/2G/2GQX-5CL/2GQX-5CL_ligand.pdbqt | data/2G/2GQX-5CL/2GQX-5CL_target.pdbqt | data/2G/2GQX-5CL/2GQX-5CL_decoys.pdbqt | data/2G/2GQX-5CL/2GQX-5CL_decoy_scores.csv |
2GLP-BDE | data/2G/2GLP-BDE/2GLP-BDE_ligand.pdbqt | data/2G/2GLP-BDE/2GLP-BDE_target.pdbqt | data/2G/2GLP-BDE/2GLP-BDE_decoys.pdbqt | data/2G/2GLP-BDE/2GLP-BDE_decoy_scores.csv |
2GLP-BEN | data/2G/2GLP-BEN/2GLP-BEN_ligand.pdbqt | data/2G/2GLP-BEN/2GLP-BEN_target.pdbqt | data/2G/2GLP-BEN/2GLP-BEN_decoys.pdbqt | data/2G/2GLP-BEN/2GLP-BEN_decoy_scores.csv |
2G9V-IFM | data/2G/2G9V-IFM/2G9V-IFM_ligand.pdbqt | data/2G/2G9V-IFM/2G9V-IFM_target.pdbqt | data/2G/2G9V-IFM/2G9V-IFM_decoys.pdbqt | data/2G/2G9V-IFM/2G9V-IFM_decoy_scores.csv |
2GG7-U14 | data/2G/2GG7-U14/2GG7-U14_ligand.pdbqt | data/2G/2GG7-U14/2GG7-U14_target.pdbqt | data/2G/2GG7-U14/2GG7-U14_decoys.pdbqt | data/2G/2GG7-U14/2GG7-U14_decoy_scores.csv |
2GAH-NAD | data/2G/2GAH-NAD/2GAH-NAD_ligand.pdbqt | data/2G/2GAH-NAD/2GAH-NAD_target.pdbqt | data/2G/2GAH-NAD/2GAH-NAD_decoys.pdbqt | data/2G/2GAH-NAD/2GAH-NAD_decoy_scores.csv |
2GX4-NOL | data/2G/2GX4-NOL/2GX4-NOL_ligand.pdbqt | data/2G/2GX4-NOL/2GX4-NOL_target.pdbqt | data/2G/2GX4-NOL/2GX4-NOL_decoys.pdbqt | data/2G/2GX4-NOL/2GX4-NOL_decoy_scores.csv |
2GMR-SPN | data/2G/2GMR-SPN/2GMR-SPN_ligand.pdbqt | data/2G/2GMR-SPN/2GMR-SPN_target.pdbqt | data/2G/2GMR-SPN/2GMR-SPN_decoys.pdbqt | data/2G/2GMR-SPN/2GMR-SPN_decoy_scores.csv |
2GZL-GPP | data/2G/2GZL-GPP/2GZL-GPP_ligand.pdbqt | data/2G/2GZL-GPP/2GZL-GPP_target.pdbqt | data/2G/2GZL-GPP/2GZL-GPP_decoys.pdbqt | data/2G/2GZL-GPP/2GZL-GPP_decoy_scores.csv |
2GNK-ATP | data/2G/2GNK-ATP/2GNK-ATP_ligand.pdbqt | data/2G/2GNK-ATP/2GNK-ATP_target.pdbqt | data/2G/2GNK-ATP/2GNK-ATP_decoys.pdbqt | data/2G/2GNK-ATP/2GNK-ATP_decoy_scores.csv |
2GAG-NAD | data/2G/2GAG-NAD/2GAG-NAD_ligand.pdbqt | data/2G/2GAG-NAD/2GAG-NAD_target.pdbqt | data/2G/2GAG-NAD/2GAG-NAD_decoys.pdbqt | data/2G/2GAG-NAD/2GAG-NAD_decoy_scores.csv |
2GWD-GLU | data/2G/2GWD-GLU/2GWD-GLU_ligand.pdbqt | data/2G/2GWD-GLU/2GWD-GLU_target.pdbqt | data/2G/2GWD-GLU/2GWD-GLU_decoys.pdbqt | data/2G/2GWD-GLU/2GWD-GLU_decoy_scores.csv |
2GVQ-BE2 | data/2G/2GVQ-BE2/2GVQ-BE2_ligand.pdbqt | data/2G/2GVQ-BE2/2GVQ-BE2_target.pdbqt | data/2G/2GVQ-BE2/2GVQ-BE2_decoys.pdbqt | data/2G/2GVQ-BE2/2GVQ-BE2_decoy_scores.csv |
2GNH-H52 | data/2G/2GNH-H52/2GNH-H52_ligand.pdbqt | data/2G/2GNH-H52/2GNH-H52_target.pdbqt | data/2G/2GNH-H52/2GNH-H52_decoys.pdbqt | data/2G/2GNH-H52/2GNH-H52_decoy_scores.csv |
2GXQ-AMP | data/2G/2GXQ-AMP/2GXQ-AMP_ligand.pdbqt | data/2G/2GXQ-AMP/2GXQ-AMP_target.pdbqt | data/2G/2GXQ-AMP/2GXQ-AMP_decoys.pdbqt | data/2G/2GXQ-AMP/2GXQ-AMP_decoy_scores.csv |
2G9K-NE1 | data/2G/2G9K-NE1/2G9K-NE1_ligand.pdbqt | data/2G/2G9K-NE1/2G9K-NE1_target.pdbqt | data/2G/2G9K-NE1/2G9K-NE1_decoys.pdbqt | data/2G/2G9K-NE1/2G9K-NE1_decoy_scores.csv |
2GQU-EPU | data/2G/2GQU-EPU/2GQU-EPU_ligand.pdbqt | data/2G/2GQU-EPU/2GQU-EPU_target.pdbqt | data/2G/2GQU-EPU/2GQU-EPU_decoys.pdbqt | data/2G/2GQU-EPU/2GQU-EPU_decoy_scores.csv |
2G78-REA | data/2G/2G78-REA/2G78-REA_ligand.pdbqt | data/2G/2G78-REA/2G78-REA_target.pdbqt | data/2G/2G78-REA/2G78-REA_decoys.pdbqt | data/2G/2G78-REA/2G78-REA_decoy_scores.csv |
2GL0-ADN | data/2G/2GL0-ADN/2GL0-ADN_ligand.pdbqt | data/2G/2GL0-ADN/2GL0-ADN_target.pdbqt | data/2G/2GL0-ADN/2GL0-ADN_decoys.pdbqt | data/2G/2GL0-ADN/2GL0-ADN_decoy_scores.csv |
2GR7-C8E | data/2G/2GR7-C8E/2GR7-C8E_ligand.pdbqt | data/2G/2GR7-C8E/2GR7-C8E_target.pdbqt | data/2G/2GR7-C8E/2GR7-C8E_decoys.pdbqt | data/2G/2GR7-C8E/2GR7-C8E_decoy_scores.csv |
2G70-SAM | data/2G/2G70-SAM/2G70-SAM_ligand.pdbqt | data/2G/2G70-SAM/2G70-SAM_target.pdbqt | data/2G/2G70-SAM/2G70-SAM_decoys.pdbqt | data/2G/2G70-SAM/2G70-SAM_decoy_scores.csv |
2GAO-GDP | data/2G/2GAO-GDP/2GAO-GDP_ligand.pdbqt | data/2G/2GAO-GDP/2GAO-GDP_target.pdbqt | data/2G/2GAO-GDP/2GAO-GDP_decoys.pdbqt | data/2G/2GAO-GDP/2GAO-GDP_decoy_scores.csv |
2GNN-BEN | data/2G/2GNN-BEN/2GNN-BEN_ligand.pdbqt | data/2G/2GNN-BEN/2GNN-BEN_target.pdbqt | data/2G/2GNN-BEN/2GNN-BEN_decoys.pdbqt | data/2G/2GNN-BEN/2GNN-BEN_decoy_scores.csv |
2G7Y-MO9 | data/2G/2G7Y-MO9/2G7Y-MO9_ligand.pdbqt | data/2G/2G7Y-MO9/2G7Y-MO9_target.pdbqt | data/2G/2G7Y-MO9/2G7Y-MO9_decoys.pdbqt | data/2G/2G7Y-MO9/2G7Y-MO9_decoy_scores.csv |
2GC3-M6P | data/2G/2GC3-M6P/2GC3-M6P_ligand.pdbqt | data/2G/2GC3-M6P/2GC3-M6P_target.pdbqt | data/2G/2GC3-M6P/2GC3-M6P_decoys.pdbqt | data/2G/2GC3-M6P/2GC3-M6P_decoy_scores.csv |
2GGD-GPJ | data/2G/2GGD-GPJ/2GGD-GPJ_ligand.pdbqt | data/2G/2GGD-GPJ/2GGD-GPJ_target.pdbqt | data/2G/2GGD-GPJ/2GGD-GPJ_decoys.pdbqt | data/2G/2GGD-GPJ/2GGD-GPJ_decoy_scores.csv |
2GYD-DFE | data/2G/2GYD-DFE/2GYD-DFE_ligand.pdbqt | data/2G/2GYD-DFE/2GYD-DFE_target.pdbqt | data/2G/2GYD-DFE/2GYD-DFE_decoys.pdbqt | data/2G/2GYD-DFE/2GYD-DFE_decoy_scores.csv |
2GR2-APR | data/2G/2GR2-APR/2GR2-APR_ligand.pdbqt | data/2G/2GR2-APR/2GR2-APR_target.pdbqt | data/2G/2GR2-APR/2GR2-APR_decoys.pdbqt | data/2G/2GR2-APR/2GR2-APR_decoy_scores.csv |
2G1S-4IG | data/2G/2G1S-4IG/2G1S-4IG_ligand.pdbqt | data/2G/2G1S-4IG/2G1S-4IG_target.pdbqt | data/2G/2G1S-4IG/2G1S-4IG_decoys.pdbqt | data/2G/2G1S-4IG/2G1S-4IG_decoy_scores.csv |
2GHL-LIB | data/2G/2GHL-LIB/2GHL-LIB_ligand.pdbqt | data/2G/2GHL-LIB/2GHL-LIB_target.pdbqt | data/2G/2GHL-LIB/2GHL-LIB_decoys.pdbqt | data/2G/2GHL-LIB/2GHL-LIB_decoy_scores.csv |
2GR0-ADP | data/2G/2GR0-ADP/2GR0-ADP_ligand.pdbqt | data/2G/2GR0-ADP/2GR0-ADP_target.pdbqt | data/2G/2GR0-ADP/2GR0-ADP_decoys.pdbqt | data/2G/2GR0-ADP/2GR0-ADP_decoy_scores.csv |
2GTB-AZP | data/2G/2GTB-AZP/2GTB-AZP_ligand.pdbqt | data/2G/2GTB-AZP/2GTB-AZP_target.pdbqt | data/2G/2GTB-AZP/2GTB-AZP_decoys.pdbqt | data/2G/2GTB-AZP/2GTB-AZP_decoy_scores.csv |
2GJA-GDP | data/2G/2GJA-GDP/2GJA-GDP_ligand.pdbqt | data/2G/2GJA-GDP/2GJA-GDP_target.pdbqt | null | null |
2G6K-H4B | data/2G/2G6K-H4B/2G6K-H4B_ligand.pdbqt | data/2G/2G6K-H4B/2G6K-H4B_target.pdbqt | data/2G/2G6K-H4B/2G6K-H4B_decoys.pdbqt | data/2G/2G6K-H4B/2G6K-H4B_decoy_scores.csv |
2G24-7IG | data/2G/2G24-7IG/2G24-7IG_ligand.pdbqt | data/2G/2G24-7IG/2G24-7IG_target.pdbqt | data/2G/2G24-7IG/2G24-7IG_decoys.pdbqt | data/2G/2G24-7IG/2G24-7IG_decoy_scores.csv |
2GKL-PD2 | data/2G/2GKL-PD2/2GKL-PD2_ligand.pdbqt | data/2G/2GKL-PD2/2GKL-PD2_target.pdbqt | data/2G/2GKL-PD2/2GKL-PD2_decoys.pdbqt | data/2G/2GKL-PD2/2GKL-PD2_decoy_scores.csv |
2GF9-GDP | data/2G/2GF9-GDP/2GF9-GDP_ligand.pdbqt | data/2G/2GF9-GDP/2GF9-GDP_target.pdbqt | data/2G/2GF9-GDP/2GF9-GDP_decoys.pdbqt | data/2G/2GF9-GDP/2GF9-GDP_decoy_scores.csv |
2G1K-SKM | data/2G/2G1K-SKM/2G1K-SKM_ligand.pdbqt | data/2G/2G1K-SKM/2G1K-SKM_target.pdbqt | data/2G/2G1K-SKM/2G1K-SKM_decoys.pdbqt | data/2G/2G1K-SKM/2G1K-SKM_decoy_scores.csv |
2GUF-MPG | data/2G/2GUF-MPG/2GUF-MPG_ligand.pdbqt | data/2G/2GUF-MPG/2GUF-MPG_target.pdbqt | data/2G/2GUF-MPG/2GUF-MPG_decoys.pdbqt | data/2G/2GUF-MPG/2GUF-MPG_decoy_scores.csv |
2GSP-3GP | data/2G/2GSP-3GP/2GSP-3GP_ligand.pdbqt | data/2G/2GSP-3GP/2GSP-3GP_target.pdbqt | data/2G/2GSP-3GP/2GSP-3GP_decoys.pdbqt | data/2G/2GSP-3GP/2GSP-3GP_decoy_scores.csv |
2GN4-UD1 | data/2G/2GN4-UD1/2GN4-UD1_ligand.pdbqt | data/2G/2GN4-UD1/2GN4-UD1_target.pdbqt | data/2G/2GN4-UD1/2GN4-UD1_decoys.pdbqt | data/2G/2GN4-UD1/2GN4-UD1_decoy_scores.csv |
2GH5-ELI | data/2G/2GH5-ELI/2GH5-ELI_ligand.pdbqt | data/2G/2GH5-ELI/2GH5-ELI_target.pdbqt | data/2G/2GH5-ELI/2GH5-ELI_decoys.pdbqt | data/2G/2GH5-ELI/2GH5-ELI_decoy_scores.csv |
2GB4-SAH | data/2G/2GB4-SAH/2GB4-SAH_ligand.pdbqt | data/2G/2GB4-SAH/2GB4-SAH_target.pdbqt | data/2G/2GB4-SAH/2GB4-SAH_decoys.pdbqt | data/2G/2GB4-SAH/2GB4-SAH_decoy_scores.csv |
2GG5-U19 | data/2G/2GG5-U19/2GG5-U19_ligand.pdbqt | data/2G/2GG5-U19/2GG5-U19_target.pdbqt | data/2G/2GG5-U19/2GG5-U19_decoys.pdbqt | data/2G/2GG5-U19/2GG5-U19_decoy_scores.csv |
2GJ4-PLR | data/2G/2GJ4-PLR/2GJ4-PLR_ligand.pdbqt | data/2G/2GJ4-PLR/2GJ4-PLR_target.pdbqt | data/2G/2GJ4-PLR/2GJ4-PLR_decoys.pdbqt | data/2G/2GJ4-PLR/2GJ4-PLR_decoy_scores.csv |
2GGA-S3P | data/2G/2GGA-S3P/2GGA-S3P_ligand.pdbqt | data/2G/2GGA-S3P/2GGA-S3P_target.pdbqt | data/2G/2GGA-S3P/2GGA-S3P_decoys.pdbqt | data/2G/2GGA-S3P/2GGA-S3P_decoy_scores.csv |
2G9R-G27 | data/2G/2G9R-G27/2G9R-G27_ligand.pdbqt | data/2G/2G9R-G27/2G9R-G27_target.pdbqt | data/2G/2G9R-G27/2G9R-G27_decoys.pdbqt | data/2G/2G9R-G27/2G9R-G27_decoy_scores.csv |
2GZD-GTP | data/2G/2GZD-GTP/2GZD-GTP_ligand.pdbqt | data/2G/2GZD-GTP/2GZD-GTP_target.pdbqt | data/2G/2GZD-GTP/2GZD-GTP_decoys.pdbqt | data/2G/2GZD-GTP/2GZD-GTP_decoy_scores.csv |
2GA9-AGS | data/2G/2GA9-AGS/2GA9-AGS_ligand.pdbqt | data/2G/2GA9-AGS/2GA9-AGS_target.pdbqt | data/2G/2GA9-AGS/2GA9-AGS_decoys.pdbqt | data/2G/2GA9-AGS/2GA9-AGS_decoy_scores.csv |
2GAL-GAL | data/2G/2GAL-GAL/2GAL-GAL_ligand.pdbqt | data/2G/2GAL-GAL/2GAL-GAL_target.pdbqt | data/2G/2GAL-GAL/2GAL-GAL_decoys.pdbqt | data/2G/2GAL-GAL/2GAL-GAL_decoy_scores.csv |
2GRU-EXO | data/2G/2GRU-EXO/2GRU-EXO_ligand.pdbqt | data/2G/2GRU-EXO/2GRU-EXO_target.pdbqt | data/2G/2GRU-EXO/2GRU-EXO_decoys.pdbqt | data/2G/2GRU-EXO/2GRU-EXO_decoy_scores.csv |
2GQ9-FMN | data/2G/2GQ9-FMN/2GQ9-FMN_ligand.pdbqt | data/2G/2GQ9-FMN/2GQ9-FMN_target.pdbqt | data/2G/2GQ9-FMN/2GQ9-FMN_decoys.pdbqt | data/2G/2GQ9-FMN/2GQ9-FMN_decoy_scores.csv |
2G80-PE4 | data/2G/2G80-PE4/2G80-PE4_ligand.pdbqt | data/2G/2G80-PE4/2G80-PE4_target.pdbqt | data/2G/2G80-PE4/2G80-PE4_decoys.pdbqt | data/2G/2G80-PE4/2G80-PE4_decoy_scores.csv |
2GTX-NLP | data/2G/2GTX-NLP/2GTX-NLP_ligand.pdbqt | data/2G/2GTX-NLP/2GTX-NLP_target.pdbqt | data/2G/2GTX-NLP/2GTX-NLP_decoys.pdbqt | data/2G/2GTX-NLP/2GTX-NLP_decoy_scores.csv |
2GMK-AMP | data/2G/2GMK-AMP/2GMK-AMP_ligand.pdbqt | data/2G/2GMK-AMP/2GMK-AMP_target.pdbqt | data/2G/2GMK-AMP/2GMK-AMP_decoys.pdbqt | data/2G/2GMK-AMP/2GMK-AMP_decoy_scores.csv |
2GCQ-GDP | data/2G/2GCQ-GDP/2GCQ-GDP_ligand.pdbqt | data/2G/2GCQ-GDP/2GCQ-GDP_target.pdbqt | data/2G/2GCQ-GDP/2GCQ-GDP_decoys.pdbqt | data/2G/2GCQ-GDP/2GCQ-GDP_decoy_scores.csv |
2GQS-ADP | data/2G/2GQS-ADP/2GQS-ADP_ligand.pdbqt | data/2G/2GQS-ADP/2GQS-ADP_target.pdbqt | data/2G/2GQS-ADP/2GQS-ADP_decoys.pdbqt | data/2G/2GQS-ADP/2GQS-ADP_decoy_scores.csv |
2GMS-P0P | data/2G/2GMS-P0P/2GMS-P0P_ligand.pdbqt | data/2G/2GMS-P0P/2GMS-P0P_target.pdbqt | data/2G/2GMS-P0P/2GMS-P0P_decoys.pdbqt | data/2G/2GMS-P0P/2GMS-P0P_decoy_scores.csv |
2GDD-5AM | data/2G/2GDD-5AM/2GDD-5AM_ligand.pdbqt | data/2G/2GDD-5AM/2GDD-5AM_target.pdbqt | data/2G/2GDD-5AM/2GDD-5AM_decoys.pdbqt | data/2G/2GDD-5AM/2GDD-5AM_decoy_scores.csv |
2GCQ-DOI | data/2G/2GCQ-DOI/2GCQ-DOI_ligand.pdbqt | data/2G/2GCQ-DOI/2GCQ-DOI_target.pdbqt | data/2G/2GCQ-DOI/2GCQ-DOI_decoys.pdbqt | data/2G/2GCQ-DOI/2GCQ-DOI_decoy_scores.csv |
2GIR-NN3 | data/2G/2GIR-NN3/2GIR-NN3_ligand.pdbqt | data/2G/2GIR-NN3/2GIR-NN3_target.pdbqt | data/2G/2GIR-NN3/2GIR-NN3_decoys.pdbqt | data/2G/2GIR-NN3/2GIR-NN3_decoy_scores.csv |
2GWH-A3P | data/2G/2GWH-A3P/2GWH-A3P_ligand.pdbqt | data/2G/2GWH-A3P/2GWH-A3P_target.pdbqt | data/2G/2GWH-A3P/2GWH-A3P_decoys.pdbqt | data/2G/2GWH-A3P/2GWH-A3P_decoy_scores.csv |
2GJL-FMN | data/2G/2GJL-FMN/2GJL-FMN_ligand.pdbqt | data/2G/2GJL-FMN/2GJL-FMN_target.pdbqt | data/2G/2GJL-FMN/2GJL-FMN_decoys.pdbqt | data/2G/2GJL-FMN/2GJL-FMN_decoy_scores.csv |
2GA4-1PS | data/2G/2GA4-1PS/2GA4-1PS_ligand.pdbqt | data/2G/2GA4-1PS/2GA4-1PS_target.pdbqt | data/2G/2GA4-1PS/2GA4-1PS_decoys.pdbqt | data/2G/2GA4-1PS/2GA4-1PS_decoy_scores.csv |
2GXS-AMP | data/2G/2GXS-AMP/2GXS-AMP_ligand.pdbqt | data/2G/2GXS-AMP/2GXS-AMP_target.pdbqt | data/2G/2GXS-AMP/2GXS-AMP_decoys.pdbqt | data/2G/2GXS-AMP/2GXS-AMP_decoy_scores.csv |
2GFD-RDA | data/2G/2GFD-RDA/2GFD-RDA_ligand.pdbqt | data/2G/2GFD-RDA/2GFD-RDA_target.pdbqt | data/2G/2GFD-RDA/2GFD-RDA_decoys.pdbqt | data/2G/2GFD-RDA/2GFD-RDA_decoy_scores.csv |
2G73-EIP | data/2G/2G73-EIP/2G73-EIP_ligand.pdbqt | data/2G/2G73-EIP/2G73-EIP_target.pdbqt | data/2G/2G73-EIP/2G73-EIP_decoys.pdbqt | data/2G/2G73-EIP/2G73-EIP_decoy_scores.csv |
2G6N-ARG | data/2G/2G6N-ARG/2G6N-ARG_ligand.pdbqt | data/2G/2G6N-ARG/2G6N-ARG_target.pdbqt | data/2G/2G6N-ARG/2G6N-ARG_decoys.pdbqt | data/2G/2G6N-ARG/2G6N-ARG_decoy_scores.csv |
2G6M-ARG | data/2G/2G6M-ARG/2G6M-ARG_ligand.pdbqt | data/2G/2G6M-ARG/2G6M-ARG_target.pdbqt | data/2G/2G6M-ARG/2G6M-ARG_decoys.pdbqt | data/2G/2G6M-ARG/2G6M-ARG_decoy_scores.csv |
2GMH-UQ5 | data/2G/2GMH-UQ5/2GMH-UQ5_ligand.pdbqt | data/2G/2GMH-UQ5/2GMH-UQ5_target.pdbqt | data/2G/2GMH-UQ5/2GMH-UQ5_decoys.pdbqt | data/2G/2GMH-UQ5/2GMH-UQ5_decoy_scores.csv |
2GDV-BGC | data/2G/2GDV-BGC/2GDV-BGC_ligand.pdbqt | data/2G/2GDV-BGC/2GDV-BGC_target.pdbqt | data/2G/2GDV-BGC/2GDV-BGC_decoys.pdbqt | data/2G/2GDV-BGC/2GDV-BGC_decoy_scores.csv |
2GWJ-ATP | data/2G/2GWJ-ATP/2GWJ-ATP_ligand.pdbqt | data/2G/2GWJ-ATP/2GWJ-ATP_target.pdbqt | data/2G/2GWJ-ATP/2GWJ-ATP_decoys.pdbqt | data/2G/2GWJ-ATP/2GWJ-ATP_decoy_scores.csv |
2G1M-4HG | data/2G/2G1M-4HG/2G1M-4HG_ligand.pdbqt | data/2G/2G1M-4HG/2G1M-4HG_target.pdbqt | data/2G/2G1M-4HG/2G1M-4HG_decoys.pdbqt | data/2G/2G1M-4HG/2G1M-4HG_decoy_scores.csv |
2G72-F21 | data/2G/2G72-F21/2G72-F21_ligand.pdbqt | data/2G/2G72-F21/2G72-F21_target.pdbqt | data/2G/2G72-F21/2G72-F21_decoys.pdbqt | data/2G/2G72-F21/2G72-F21_decoy_scores.csv |
2G70-HNT | data/2G/2G70-HNT/2G70-HNT_ligand.pdbqt | data/2G/2G70-HNT/2G70-HNT_target.pdbqt | data/2G/2G70-HNT/2G70-HNT_decoys.pdbqt | data/2G/2G70-HNT/2G70-HNT_decoy_scores.csv |
2GEK-GDP | data/2G/2GEK-GDP/2GEK-GDP_ligand.pdbqt | data/2G/2GEK-GDP/2GEK-GDP_target.pdbqt | data/2G/2GEK-GDP/2GEK-GDP_decoys.pdbqt | data/2G/2GEK-GDP/2GEK-GDP_decoy_scores.csv |
2GG8-U15 | data/2G/2GG8-U15/2GG8-U15_ligand.pdbqt | data/2G/2GG8-U15/2GG8-U15_target.pdbqt | data/2G/2GG8-U15/2GG8-U15_decoys.pdbqt | data/2G/2GG8-U15/2GG8-U15_decoy_scores.csv |
2GNI-M77 | data/2G/2GNI-M77/2GNI-M77_ligand.pdbqt | data/2G/2GNI-M77/2GNI-M77_target.pdbqt | data/2G/2GNI-M77/2GNI-M77_decoys.pdbqt | data/2G/2GNI-M77/2GNI-M77_decoy_scores.csv |
2G6N-HBI | data/2G/2G6N-HBI/2G6N-HBI_ligand.pdbqt | data/2G/2G6N-HBI/2G6N-HBI_target.pdbqt | data/2G/2G6N-HBI/2G6N-HBI_decoys.pdbqt | data/2G/2G6N-HBI/2G6N-HBI_decoy_scores.csv |
2G6O-ARG | data/2G/2G6O-ARG/2G6O-ARG_ligand.pdbqt | data/2G/2G6O-ARG/2G6O-ARG_target.pdbqt | data/2G/2G6O-ARG/2G6O-ARG_decoys.pdbqt | data/2G/2G6O-ARG/2G6O-ARG_decoy_scores.csv |
2G72-SAM | data/2G/2G72-SAM/2G72-SAM_ligand.pdbqt | data/2G/2G72-SAM/2G72-SAM_target.pdbqt | data/2G/2G72-SAM/2G72-SAM_decoys.pdbqt | data/2G/2G72-SAM/2G72-SAM_decoy_scores.csv |
2GFK-VII | data/2G/2GFK-VII/2GFK-VII_ligand.pdbqt | data/2G/2GFK-VII/2GFK-VII_target.pdbqt | data/2G/2GFK-VII/2GFK-VII_decoys.pdbqt | data/2G/2GFK-VII/2GFK-VII_decoy_scores.csv |
2G63-AAF | data/2G/2G63-AAF/2G63-AAF_ligand.pdbqt | data/2G/2G63-AAF/2G63-AAF_target.pdbqt | data/2G/2G63-AAF/2G63-AAF_decoys.pdbqt | data/2G/2G63-AAF/2G63-AAF_decoy_scores.csv |
2GK6-ADP | data/2G/2GK6-ADP/2GK6-ADP_ligand.pdbqt | data/2G/2GK6-ADP/2GK6-ADP_target.pdbqt | data/2G/2GK6-ADP/2GK6-ADP_decoys.pdbqt | data/2G/2GK6-ADP/2GK6-ADP_decoy_scores.csv |
2G6K-ARG | data/2G/2G6K-ARG/2G6K-ARG_ligand.pdbqt | data/2G/2G6K-ARG/2G6K-ARG_target.pdbqt | data/2G/2G6K-ARG/2G6K-ARG_decoys.pdbqt | data/2G/2G6K-ARG/2G6K-ARG_decoy_scores.csv |
2G81-P6G | data/2G/2G81-P6G/2G81-P6G_ligand.pdbqt | data/2G/2G81-P6G/2G81-P6G_target.pdbqt | data/2G/2G81-P6G/2G81-P6G_decoys.pdbqt | data/2G/2G81-P6G/2G81-P6G_decoy_scores.csv |
2GYV-P3G | data/2G/2GYV-P3G/2GYV-P3G_ligand.pdbqt | data/2G/2GYV-P3G/2GYV-P3G_target.pdbqt | data/2G/2GYV-P3G/2GYV-P3G_decoys.pdbqt | data/2G/2GYV-P3G/2GYV-P3G_decoy_scores.csv |
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