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 ⌀ |
|---|---|---|---|---|
2FOI-NAD | data/2F/2FOI-NAD/2FOI-NAD_ligand.pdbqt | data/2F/2FOI-NAD/2FOI-NAD_target.pdbqt | data/2F/2FOI-NAD/2FOI-NAD_decoys.pdbqt | data/2F/2FOI-NAD/2FOI-NAD_decoy_scores.csv |
2FJU-GSP | data/2F/2FJU-GSP/2FJU-GSP_ligand.pdbqt | data/2F/2FJU-GSP/2FJU-GSP_target.pdbqt | data/2F/2FJU-GSP/2FJU-GSP_decoys.pdbqt | data/2F/2FJU-GSP/2FJU-GSP_decoy_scores.csv |
2FX4-C1R | data/2F/2FX4-C1R/2FX4-C1R_ligand.pdbqt | data/2F/2FX4-C1R/2FX4-C1R_target.pdbqt | data/2F/2FX4-C1R/2FX4-C1R_decoys.pdbqt | data/2F/2FX4-C1R/2FX4-C1R_decoy_scores.csv |
2FPV-FMN | data/2F/2FPV-FMN/2FPV-FMN_ligand.pdbqt | data/2F/2FPV-FMN/2FPV-FMN_target.pdbqt | data/2F/2FPV-FMN/2FPV-FMN_decoys.pdbqt | data/2F/2FPV-FMN/2FPV-FMN_decoy_scores.csv |
2FTO-CB3 | data/2F/2FTO-CB3/2FTO-CB3_ligand.pdbqt | data/2F/2FTO-CB3/2FTO-CB3_target.pdbqt | data/2F/2FTO-CB3/2FTO-CB3_decoys.pdbqt | data/2F/2FTO-CB3/2FTO-CB3_decoy_scores.csv |
2FJK-13P | data/2F/2FJK-13P/2FJK-13P_ligand.pdbqt | data/2F/2FJK-13P/2FJK-13P_target.pdbqt | data/2F/2FJK-13P/2FJK-13P_decoys.pdbqt | data/2F/2FJK-13P/2FJK-13P_decoy_scores.csv |
2FYD-NGA | data/2F/2FYD-NGA/2FYD-NGA_ligand.pdbqt | data/2F/2FYD-NGA/2FYD-NGA_target.pdbqt | data/2F/2FYD-NGA/2FYD-NGA_decoys.pdbqt | data/2F/2FYD-NGA/2FYD-NGA_decoy_scores.csv |
2FGV-DIQ | data/2F/2FGV-DIQ/2FGV-DIQ_ligand.pdbqt | data/2F/2FGV-DIQ/2FGV-DIQ_target.pdbqt | data/2F/2FGV-DIQ/2FGV-DIQ_decoys.pdbqt | data/2F/2FGV-DIQ/2FGV-DIQ_decoy_scores.csv |
2F35-UBC | data/2F/2F35-UBC/2F35-UBC_ligand.pdbqt | data/2F/2F35-UBC/2F35-UBC_target.pdbqt | data/2F/2F35-UBC/2F35-UBC_decoys.pdbqt | data/2F/2F35-UBC/2F35-UBC_decoy_scores.csv |
2FCR-FMN | data/2F/2FCR-FMN/2FCR-FMN_ligand.pdbqt | data/2F/2FCR-FMN/2FCR-FMN_target.pdbqt | data/2F/2FCR-FMN/2FCR-FMN_decoys.pdbqt | data/2F/2FCR-FMN/2FCR-FMN_decoy_scores.csv |
2F6X-1GP | data/2F/2F6X-1GP/2F6X-1GP_ligand.pdbqt | data/2F/2F6X-1GP/2F6X-1GP_target.pdbqt | data/2F/2F6X-1GP/2F6X-1GP_decoys.pdbqt | data/2F/2F6X-1GP/2F6X-1GP_decoy_scores.csv |
2FF2-IMH | data/2F/2FF2-IMH/2FF2-IMH_ligand.pdbqt | data/2F/2FF2-IMH/2FF2-IMH_target.pdbqt | data/2F/2FF2-IMH/2FF2-IMH_decoys.pdbqt | data/2F/2FF2-IMH/2FF2-IMH_decoy_scores.csv |
2FQY-ADN | data/2F/2FQY-ADN/2FQY-ADN_ligand.pdbqt | data/2F/2FQY-ADN/2FQY-ADN_target.pdbqt | data/2F/2FQY-ADN/2FQY-ADN_decoys.pdbqt | data/2F/2FQY-ADN/2FQY-ADN_decoy_scores.csv |
2F8P-CEI | data/2F/2F8P-CEI/2F8P-CEI_ligand.pdbqt | data/2F/2F8P-CEI/2F8P-CEI_target.pdbqt | data/2F/2F8P-CEI/2F8P-CEI_decoys.pdbqt | data/2F/2F8P-CEI/2F8P-CEI_decoy_scores.csv |
2F2U-M77 | data/2F/2F2U-M77/2F2U-M77_ligand.pdbqt | data/2F/2F2U-M77/2F2U-M77_target.pdbqt | data/2F/2F2U-M77/2F2U-M77_decoys.pdbqt | data/2F/2F2U-M77/2F2U-M77_decoy_scores.csv |
2FZK-CTP | data/2F/2FZK-CTP/2FZK-CTP_ligand.pdbqt | data/2F/2FZK-CTP/2FZK-CTP_target.pdbqt | data/2F/2FZK-CTP/2FZK-CTP_decoys.pdbqt | data/2F/2FZK-CTP/2FZK-CTP_decoy_scores.csv |
2F62-12M | data/2F/2F62-12M/2F62-12M_ligand.pdbqt | data/2F/2F62-12M/2F62-12M_target.pdbqt | data/2F/2F62-12M/2F62-12M_decoys.pdbqt | data/2F/2F62-12M/2F62-12M_decoy_scores.csv |
2FF3-ATP | data/2F/2FF3-ATP/2FF3-ATP_ligand.pdbqt | data/2F/2FF3-ATP/2FF3-ATP_target.pdbqt | data/2F/2FF3-ATP/2FF3-ATP_decoys.pdbqt | data/2F/2FF3-ATP/2FF3-ATP_decoy_scores.csv |
2FC2-HBI | data/2F/2FC2-HBI/2FC2-HBI_ligand.pdbqt | data/2F/2FC2-HBI/2FC2-HBI_target.pdbqt | data/2F/2FC2-HBI/2FC2-HBI_decoys.pdbqt | data/2F/2FC2-HBI/2FC2-HBI_decoy_scores.csv |
2FH5-GTP | data/2F/2FH5-GTP/2FH5-GTP_ligand.pdbqt | data/2F/2FH5-GTP/2FH5-GTP_target.pdbqt | data/2F/2FH5-GTP/2FH5-GTP_decoys.pdbqt | data/2F/2FH5-GTP/2FH5-GTP_decoy_scores.csv |
2FLR-7NH | data/2F/2FLR-7NH/2FLR-7NH_ligand.pdbqt | data/2F/2FLR-7NH/2FLR-7NH_target.pdbqt | data/2F/2FLR-7NH/2FLR-7NH_decoys.pdbqt | data/2F/2FLR-7NH/2FLR-7NH_decoy_scores.csv |
2FUE-M1P | data/2F/2FUE-M1P/2FUE-M1P_ligand.pdbqt | data/2F/2FUE-M1P/2FUE-M1P_target.pdbqt | data/2F/2FUE-M1P/2FUE-M1P_decoys.pdbqt | data/2F/2FUE-M1P/2FUE-M1P_decoy_scores.csv |
2F57-23D | data/2F/2F57-23D/2F57-23D_ligand.pdbqt | data/2F/2F57-23D/2F57-23D_target.pdbqt | data/2F/2F57-23D/2F57-23D_decoys.pdbqt | data/2F/2F57-23D/2F57-23D_decoy_scores.csv |
2FPU-HSO | data/2F/2FPU-HSO/2FPU-HSO_ligand.pdbqt | data/2F/2FPU-HSO/2FPU-HSO_target.pdbqt | data/2F/2FPU-HSO/2FPU-HSO_decoys.pdbqt | data/2F/2FPU-HSO/2FPU-HSO_decoy_scores.csv |
2FA1-BDF | data/2F/2FA1-BDF/2FA1-BDF_ligand.pdbqt | data/2F/2FA1-BDF/2FA1-BDF_target.pdbqt | data/2F/2FA1-BDF/2FA1-BDF_decoys.pdbqt | data/2F/2FA1-BDF/2FA1-BDF_decoy_scores.csv |
2FL6-ADP | data/2F/2FL6-ADP/2FL6-ADP_ligand.pdbqt | data/2F/2FL6-ADP/2FL6-ADP_target.pdbqt | data/2F/2FL6-ADP/2FL6-ADP_decoys.pdbqt | data/2F/2FL6-ADP/2FL6-ADP_decoy_scores.csv |
2FRE-FMN | data/2F/2FRE-FMN/2FRE-FMN_ligand.pdbqt | data/2F/2FRE-FMN/2FRE-FMN_target.pdbqt | data/2F/2FRE-FMN/2FRE-FMN_decoys.pdbqt | data/2F/2FRE-FMN/2FRE-FMN_decoy_scores.csv |
3GCM-FLC | data/3G/3GCM-FLC/3GCM-FLC_ligand.pdbqt | data/3G/3GCM-FLC/3GCM-FLC_target.pdbqt | data/3G/3GCM-FLC/3GCM-FLC_decoys.pdbqt | data/3G/3GCM-FLC/3GCM-FLC_decoy_scores.csv |
3GIQ-G01 | data/3G/3GIQ-G01/3GIQ-G01_ligand.pdbqt | data/3G/3GIQ-G01/3GIQ-G01_target.pdbqt | data/3G/3GIQ-G01/3GIQ-G01_decoys.pdbqt | data/3G/3GIQ-G01/3GIQ-G01_decoy_scores.csv |
3GCZ-SAM | data/3G/3GCZ-SAM/3GCZ-SAM_ligand.pdbqt | data/3G/3GCZ-SAM/3GCZ-SAM_target.pdbqt | data/3G/3GCZ-SAM/3GCZ-SAM_decoys.pdbqt | data/3G/3GCZ-SAM/3GCZ-SAM_decoy_scores.csv |
3GZM-PNS | data/3G/3GZM-PNS/3GZM-PNS_ligand.pdbqt | data/3G/3GZM-PNS/3GZM-PNS_target.pdbqt | data/3G/3GZM-PNS/3GZM-PNS_decoys.pdbqt | data/3G/3GZM-PNS/3GZM-PNS_decoy_scores.csv |
3GGD-SAH | data/3G/3GGD-SAH/3GGD-SAH_ligand.pdbqt | data/3G/3GGD-SAH/3GGD-SAH_target.pdbqt | data/3G/3GGD-SAH/3GGD-SAH_decoys.pdbqt | data/3G/3GGD-SAH/3GGD-SAH_decoy_scores.csv |
3G6G-G6G | data/3G/3G6G-G6G/3G6G-G6G_ligand.pdbqt | data/3G/3G6G-G6G/3G6G-G6G_target.pdbqt | data/3G/3G6G-G6G/3G6G-G6G_decoys.pdbqt | data/3G/3G6G-G6G/3G6G-G6G_decoy_scores.csv |
3GG4-BTB | data/3G/3GG4-BTB/3GG4-BTB_ligand.pdbqt | data/3G/3GG4-BTB/3GG4-BTB_target.pdbqt | data/3G/3GG4-BTB/3GG4-BTB_decoys.pdbqt | data/3G/3GG4-BTB/3GG4-BTB_decoy_scores.csv |
3GO7-RIB | data/3G/3GO7-RIB/3GO7-RIB_ligand.pdbqt | data/3G/3GO7-RIB/3GO7-RIB_target.pdbqt | data/3G/3GO7-RIB/3GO7-RIB_decoys.pdbqt | data/3G/3GO7-RIB/3GO7-RIB_decoy_scores.csv |
3G72-A6T | data/3G/3G72-A6T/3G72-A6T_ligand.pdbqt | data/3G/3G72-A6T/3G72-A6T_target.pdbqt | data/3G/3G72-A6T/3G72-A6T_decoys.pdbqt | data/3G/3G72-A6T/3G72-A6T_decoy_scores.csv |
3G1M-RF3 | data/3G/3G1M-RF3/3G1M-RF3_ligand.pdbqt | data/3G/3G1M-RF3/3G1M-RF3_target.pdbqt | data/3G/3G1M-RF3/3G1M-RF3_decoys.pdbqt | data/3G/3G1M-RF3/3G1M-RF3_decoy_scores.csv |
3GA5-RGG | data/3G/3GA5-RGG/3GA5-RGG_ligand.pdbqt | data/3G/3GA5-RGG/3GA5-RGG_target.pdbqt | data/3G/3GA5-RGG/3GA5-RGG_decoys.pdbqt | data/3G/3GA5-RGG/3GA5-RGG_decoy_scores.csv |
3G1L-RF2 | data/3G/3G1L-RF2/3G1L-RF2_ligand.pdbqt | data/3G/3G1L-RF2/3G1L-RF2_target.pdbqt | data/3G/3G1L-RF2/3G1L-RF2_decoys.pdbqt | data/3G/3G1L-RF2/3G1L-RF2_decoy_scores.csv |
3GZ3-ORO | data/3G/3GZ3-ORO/3GZ3-ORO_ligand.pdbqt | data/3G/3GZ3-ORO/3GZ3-ORO_target.pdbqt | data/3G/3GZ3-ORO/3GZ3-ORO_decoys.pdbqt | data/3G/3GZ3-ORO/3GZ3-ORO_decoy_scores.csv |
3GY3-PNT | data/3G/3GY3-PNT/3GY3-PNT_ligand.pdbqt | data/3G/3GY3-PNT/3GY3-PNT_target.pdbqt | data/3G/3GY3-PNT/3GY3-PNT_decoys.pdbqt | data/3G/3GY3-PNT/3GY3-PNT_decoy_scores.csv |
3G89-AMP | data/3G/3G89-AMP/3G89-AMP_ligand.pdbqt | data/3G/3G89-AMP/3G89-AMP_target.pdbqt | data/3G/3G89-AMP/3G89-AMP_decoys.pdbqt | data/3G/3G89-AMP/3G89-AMP_decoy_scores.csv |
3G2N-OAK | data/3G/3G2N-OAK/3G2N-OAK_ligand.pdbqt | data/3G/3G2N-OAK/3G2N-OAK_target.pdbqt | data/3G/3G2N-OAK/3G2N-OAK_decoys.pdbqt | data/3G/3G2N-OAK/3G2N-OAK_decoy_scores.csv |
3GN0-DMO | data/3G/3GN0-DMO/3GN0-DMO_ligand.pdbqt | data/3G/3GN0-DMO/3GN0-DMO_target.pdbqt | data/3G/3GN0-DMO/3GN0-DMO_decoys.pdbqt | data/3G/3GN0-DMO/3GN0-DMO_decoy_scores.csv |
3GK2-27A | data/3G/3GK2-27A/3GK2-27A_ligand.pdbqt | data/3G/3GK2-27A/3GK2-27A_target.pdbqt | data/3G/3GK2-27A/3GK2-27A_decoys.pdbqt | data/3G/3GK2-27A/3GK2-27A_decoy_scores.csv |
3G15-HC6 | data/3G/3G15-HC6/3G15-HC6_ligand.pdbqt | data/3G/3G15-HC6/3G15-HC6_target.pdbqt | data/3G/3G15-HC6/3G15-HC6_decoys.pdbqt | data/3G/3G15-HC6/3G15-HC6_decoy_scores.csv |
3G5I-DNB | data/3G/3G5I-DNB/3G5I-DNB_ligand.pdbqt | data/3G/3G5I-DNB/3G5I-DNB_target.pdbqt | data/3G/3G5I-DNB/3G5I-DNB_decoys.pdbqt | data/3G/3G5I-DNB/3G5I-DNB_decoy_scores.csv |
3GCM-5GP | data/3G/3GCM-5GP/3GCM-5GP_ligand.pdbqt | data/3G/3GCM-5GP/3GCM-5GP_target.pdbqt | data/3G/3GCM-5GP/3GCM-5GP_decoys.pdbqt | data/3G/3GCM-5GP/3GCM-5GP_decoy_scores.csv |
3G2J-9GP | data/3G/3G2J-9GP/3G2J-9GP_ligand.pdbqt | data/3G/3G2J-9GP/3G2J-9GP_target.pdbqt | data/3G/3G2J-9GP/3G2J-9GP_decoys.pdbqt | data/3G/3G2J-9GP/3G2J-9GP_decoy_scores.csv |
3GF4-UPG | data/3G/3GF4-UPG/3GF4-UPG_ligand.pdbqt | data/3G/3GF4-UPG/3GF4-UPG_target.pdbqt | data/3G/3GF4-UPG/3GF4-UPG_decoys.pdbqt | data/3G/3GF4-UPG/3GF4-UPG_decoy_scores.csv |
3GPA-CDP | data/3G/3GPA-CDP/3GPA-CDP_ligand.pdbqt | data/3G/3GPA-CDP/3GPA-CDP_target.pdbqt | data/3G/3GPA-CDP/3GPA-CDP_decoys.pdbqt | data/3G/3GPA-CDP/3GPA-CDP_decoy_scores.csv |
3G2Z-GZ2 | data/3G/3G2Z-GZ2/3G2Z-GZ2_ligand.pdbqt | data/3G/3G2Z-GZ2/3G2Z-GZ2_target.pdbqt | data/3G/3G2Z-GZ2/3G2Z-GZ2_decoys.pdbqt | data/3G/3G2Z-GZ2/3G2Z-GZ2_decoy_scores.csv |
3GPW-SA1 | data/3G/3GPW-SA1/3GPW-SA1_ligand.pdbqt | data/3G/3GPW-SA1/3GPW-SA1_target.pdbqt | data/3G/3GPW-SA1/3GPW-SA1_decoys.pdbqt | data/3G/3GPW-SA1/3GPW-SA1_decoy_scores.csv |
3GCD-IHP | data/3G/3GCD-IHP/3GCD-IHP_ligand.pdbqt | data/3G/3GCD-IHP/3GCD-IHP_target.pdbqt | data/3G/3GCD-IHP/3GCD-IHP_decoys.pdbqt | data/3G/3GCD-IHP/3GCD-IHP_decoy_scores.csv |
3GYF-51P | data/3G/3GYF-51P/3GYF-51P_ligand.pdbqt | data/3G/3GYF-51P/3GYF-51P_target.pdbqt | data/3G/3GYF-51P/3GYF-51P_decoys.pdbqt | data/3G/3GYF-51P/3GYF-51P_decoy_scores.csv |
3GXL-QIG | data/3G/3GXL-QIG/3GXL-QIG_ligand.pdbqt | data/3G/3GXL-QIG/3GXL-QIG_target.pdbqt | data/3G/3GXL-QIG/3GXL-QIG_decoys.pdbqt | data/3G/3GXL-QIG/3GXL-QIG_decoy_scores.csv |
3GPO-APR | data/3G/3GPO-APR/3GPO-APR_ligand.pdbqt | data/3G/3GPO-APR/3GPO-APR_target.pdbqt | data/3G/3GPO-APR/3GPO-APR_decoys.pdbqt | data/3G/3GPO-APR/3GPO-APR_decoy_scores.csv |
3GA8-PE4 | data/3G/3GA8-PE4/3GA8-PE4_ligand.pdbqt | data/3G/3GA8-PE4/3GA8-PE4_target.pdbqt | data/3G/3GA8-PE4/3GA8-PE4_decoys.pdbqt | data/3G/3GA8-PE4/3GA8-PE4_decoy_scores.csv |
3G31-GF1 | data/3G/3G31-GF1/3G31-GF1_ligand.pdbqt | data/3G/3G31-GF1/3G31-GF1_target.pdbqt | data/3G/3G31-GF1/3G31-GF1_decoys.pdbqt | data/3G/3G31-GF1/3G31-GF1_decoy_scores.csv |
3GR6-TCL | data/3G/3GR6-TCL/3GR6-TCL_ligand.pdbqt | data/3G/3GR6-TCL/3GR6-TCL_target.pdbqt | data/3G/3GR6-TCL/3GR6-TCL_decoys.pdbqt | data/3G/3GR6-TCL/3GR6-TCL_decoy_scores.csv |
3GQY-DZG | data/3G/3GQY-DZG/3GQY-DZG_ligand.pdbqt | data/3G/3GQY-DZG/3GQY-DZG_target.pdbqt | data/3G/3GQY-DZG/3GQY-DZG_decoys.pdbqt | data/3G/3GQY-DZG/3GQY-DZG_decoy_scores.csv |
3GRY-SAM | data/3G/3GRY-SAM/3GRY-SAM_ligand.pdbqt | data/3G/3GRY-SAM/3GRY-SAM_target.pdbqt | data/3G/3GRY-SAM/3GRY-SAM_decoys.pdbqt | data/3G/3GRY-SAM/3GRY-SAM_decoy_scores.csv |
3G32-3G3 | data/3G/3G32-3G3/3G32-3G3_ligand.pdbqt | data/3G/3G32-3G3/3G32-3G3_target.pdbqt | data/3G/3G32-3G3/3G32-3G3_decoys.pdbqt | data/3G/3G32-3G3/3G32-3G3_decoy_scores.csv |
3GCP-SB2 | data/3G/3GCP-SB2/3GCP-SB2_ligand.pdbqt | data/3G/3GCP-SB2/3GCP-SB2_target.pdbqt | data/3G/3GCP-SB2/3GCP-SB2_decoys.pdbqt | data/3G/3GCP-SB2/3GCP-SB2_decoy_scores.csv |
3GU5-ANP | data/3G/3GU5-ANP/3GU5-ANP_ligand.pdbqt | data/3G/3GU5-ANP/3GU5-ANP_target.pdbqt | data/3G/3GU5-ANP/3GU5-ANP_decoys.pdbqt | data/3G/3GU5-ANP/3GU5-ANP_decoy_scores.csv |
3GSS-EAA | data/3G/3GSS-EAA/3GSS-EAA_ligand.pdbqt | data/3G/3GSS-EAA/3GSS-EAA_target.pdbqt | data/3G/3GSS-EAA/3GSS-EAA_decoys.pdbqt | data/3G/3GSS-EAA/3GSS-EAA_decoy_scores.csv |
3G7P-PG6 | data/3G/3G7P-PG6/3G7P-PG6_ligand.pdbqt | data/3G/3G7P-PG6/3G7P-PG6_target.pdbqt | data/3G/3G7P-PG6/3G7P-PG6_decoys.pdbqt | data/3G/3G7P-PG6/3G7P-PG6_decoy_scores.csv |
3G8O-30X | data/3G/3G8O-30X/3G8O-30X_ligand.pdbqt | data/3G/3G8O-30X/3G8O-30X_target.pdbqt | data/3G/3G8O-30X/3G8O-30X_decoys.pdbqt | data/3G/3G8O-30X/3G8O-30X_decoy_scores.csv |
3G0U-MDY | data/3G/3G0U-MDY/3G0U-MDY_ligand.pdbqt | data/3G/3G0U-MDY/3G0U-MDY_target.pdbqt | data/3G/3G0U-MDY/3G0U-MDY_decoys.pdbqt | data/3G/3G0U-MDY/3G0U-MDY_decoy_scores.csv |
3G22-U | data/3G/3G22-U/3G22-U_ligand.pdbqt | data/3G/3G22-U/3G22-U_target.pdbqt | data/3G/3G22-U/3G22-U_decoys.pdbqt | data/3G/3G22-U/3G22-U_decoy_scores.csv |
3GR8-BTB | data/3G/3GR8-BTB/3GR8-BTB_ligand.pdbqt | data/3G/3GR8-BTB/3GR8-BTB_target.pdbqt | data/3G/3GR8-BTB/3GR8-BTB_decoys.pdbqt | data/3G/3GR8-BTB/3GR8-BTB_decoy_scores.csv |
3GGG-TYR | data/3G/3GGG-TYR/3GGG-TYR_ligand.pdbqt | data/3G/3GGG-TYR/3GGG-TYR_target.pdbqt | data/3G/3GGG-TYR/3GGG-TYR_decoys.pdbqt | data/3G/3GGG-TYR/3GGG-TYR_decoy_scores.csv |
3GXO-SAH | data/3G/3GXO-SAH/3GXO-SAH_ligand.pdbqt | data/3G/3GXO-SAH/3GXO-SAH_target.pdbqt | data/3G/3GXO-SAH/3GXO-SAH_decoys.pdbqt | data/3G/3GXO-SAH/3GXO-SAH_decoy_scores.csv |
3G9L-J67 | data/3G/3G9L-J67/3G9L-J67_ligand.pdbqt | data/3G/3G9L-J67/3G9L-J67_target.pdbqt | data/3G/3G9L-J67/3G9L-J67_decoys.pdbqt | data/3G/3G9L-J67/3G9L-J67_decoy_scores.csv |
3GVB-3GV | data/3G/3GVB-3GV/3GVB-3GV_ligand.pdbqt | data/3G/3GVB-3GV/3GVB-3GV_target.pdbqt | data/3G/3GVB-3GV/3GVB-3GV_decoys.pdbqt | data/3G/3GVB-3GV/3GVB-3GV_decoy_scores.csv |
3GFE-P37 | data/3G/3GFE-P37/3GFE-P37_ligand.pdbqt | data/3G/3GFE-P37/3GFE-P37_target.pdbqt | data/3G/3GFE-P37/3GFE-P37_decoys.pdbqt | data/3G/3GFE-P37/3GFE-P37_decoy_scores.csv |
3G49-3G4 | data/3G/3G49-3G4/3G49-3G4_ligand.pdbqt | data/3G/3G49-3G4/3G49-3G4_target.pdbqt | data/3G/3G49-3G4/3G49-3G4_decoys.pdbqt | data/3G/3G49-3G4/3G49-3G4_decoy_scores.csv |
3GB5-FMN | data/3G/3GB5-FMN/3GB5-FMN_ligand.pdbqt | data/3G/3GB5-FMN/3GB5-FMN_target.pdbqt | data/3G/3GB5-FMN/3GB5-FMN_decoys.pdbqt | data/3G/3GB5-FMN/3GB5-FMN_decoy_scores.csv |
3GFZ-FMN | data/3G/3GFZ-FMN/3GFZ-FMN_ligand.pdbqt | data/3G/3GFZ-FMN/3GFZ-FMN_target.pdbqt | data/3G/3GFZ-FMN/3GFZ-FMN_decoys.pdbqt | data/3G/3GFZ-FMN/3GFZ-FMN_decoy_scores.csv |
3GAL-1GN | data/3G/3GAL-1GN/3GAL-1GN_ligand.pdbqt | data/3G/3GAL-1GN/3GAL-1GN_target.pdbqt | data/3G/3GAL-1GN/3GAL-1GN_decoys.pdbqt | data/3G/3GAL-1GN/3GAL-1GN_decoy_scores.csv |
3GFD-FMN | data/3G/3GFD-FMN/3GFD-FMN_ligand.pdbqt | data/3G/3GFD-FMN/3GFD-FMN_target.pdbqt | data/3G/3GFD-FMN/3GFD-FMN_decoys.pdbqt | data/3G/3GFD-FMN/3GFD-FMN_decoy_scores.csv |
3GH7-NGA | data/3G/3GH7-NGA/3GH7-NGA_ligand.pdbqt | data/3G/3GH7-NGA/3GH7-NGA_target.pdbqt | data/3G/3GH7-NGA/3GH7-NGA_decoys.pdbqt | data/3G/3GH7-NGA/3GH7-NGA_decoy_scores.csv |
3GA9-GLU | data/3G/3GA9-GLU/3GA9-GLU_ligand.pdbqt | data/3G/3GA9-GLU/3GA9-GLU_target.pdbqt | data/3G/3GA9-GLU/3GA9-GLU_decoys.pdbqt | data/3G/3GA9-GLU/3GA9-GLU_decoy_scores.csv |
3GN8-DEX | data/3G/3GN8-DEX/3GN8-DEX_ligand.pdbqt | data/3G/3GN8-DEX/3GN8-DEX_target.pdbqt | data/3G/3GN8-DEX/3GN8-DEX_decoys.pdbqt | data/3G/3GN8-DEX/3GN8-DEX_decoy_scores.csv |
3GNI-ATP | data/3G/3GNI-ATP/3GNI-ATP_ligand.pdbqt | data/3G/3GNI-ATP/3GNI-ATP_target.pdbqt | data/3G/3GNI-ATP/3GNI-ATP_decoys.pdbqt | data/3G/3GNI-ATP/3GNI-ATP_decoy_scores.csv |
3GZ9-D32 | data/3G/3GZ9-D32/3GZ9-D32_ligand.pdbqt | data/3G/3GZ9-D32/3GZ9-D32_target.pdbqt | data/3G/3GZ9-D32/3GZ9-D32_decoys.pdbqt | data/3G/3GZ9-D32/3GZ9-D32_decoy_scores.csv |
3G0X-FMN | data/3G/3G0X-FMN/3G0X-FMN_ligand.pdbqt | data/3G/3G0X-FMN/3G0X-FMN_target.pdbqt | data/3G/3G0X-FMN/3G0X-FMN_decoys.pdbqt | data/3G/3G0X-FMN/3G0X-FMN_decoy_scores.csv |
3GR4-FBP | data/3G/3GR4-FBP/3GR4-FBP_ligand.pdbqt | data/3G/3GR4-FBP/3GR4-FBP_target.pdbqt | data/3G/3GR4-FBP/3GR4-FBP_decoys.pdbqt | data/3G/3GR4-FBP/3GR4-FBP_decoy_scores.csv |
3GZJ-EVS | data/3G/3GZJ-EVS/3GZJ-EVS_ligand.pdbqt | data/3G/3GZJ-EVS/3GZJ-EVS_target.pdbqt | data/3G/3GZJ-EVS/3GZJ-EVS_decoys.pdbqt | data/3G/3GZJ-EVS/3GZJ-EVS_decoy_scores.csv |
3G7B-B47 | data/3G/3G7B-B47/3G7B-B47_ligand.pdbqt | data/3G/3G7B-B47/3G7B-B47_target.pdbqt | data/3G/3G7B-B47/3G7B-B47_decoys.pdbqt | data/3G/3G7B-B47/3G7B-B47_decoy_scores.csv |
3GJ3-GDP | data/3G/3GJ3-GDP/3GJ3-GDP_ligand.pdbqt | data/3G/3GJ3-GDP/3GJ3-GDP_target.pdbqt | data/3G/3GJ3-GDP/3GJ3-GDP_decoys.pdbqt | data/3G/3GJ3-GDP/3GJ3-GDP_decoy_scores.csv |
3GAJ-ATP | data/3G/3GAJ-ATP/3GAJ-ATP_ligand.pdbqt | data/3G/3GAJ-ATP/3GAJ-ATP_target.pdbqt | data/3G/3GAJ-ATP/3GAJ-ATP_decoys.pdbqt | data/3G/3GAJ-ATP/3GAJ-ATP_decoy_scores.csv |
3GNW-XNC | data/3G/3GNW-XNC/3GNW-XNC_ligand.pdbqt | data/3G/3GNW-XNC/3GNW-XNC_target.pdbqt | data/3G/3GNW-XNC/3GNW-XNC_decoys.pdbqt | data/3G/3GNW-XNC/3GNW-XNC_decoy_scores.csv |
3GG1-C2E | data/3G/3GG1-C2E/3GG1-C2E_ligand.pdbqt | data/3G/3GG1-C2E/3GG1-C2E_target.pdbqt | data/3G/3GG1-C2E/3GG1-C2E_decoys.pdbqt | data/3G/3GG1-C2E/3GG1-C2E_decoy_scores.csv |
3GO6-ADP | data/3G/3GO6-ADP/3GO6-ADP_ligand.pdbqt | data/3G/3GO6-ADP/3GO6-ADP_target.pdbqt | data/3G/3GO6-ADP/3GO6-ADP_decoys.pdbqt | data/3G/3GO6-ADP/3GO6-ADP_decoy_scores.csv |
3GHU-LDT | data/3G/3GHU-LDT/3GHU-LDT_ligand.pdbqt | data/3G/3GHU-LDT/3GHU-LDT_target.pdbqt | data/3G/3GHU-LDT/3GHU-LDT_decoys.pdbqt | data/3G/3GHU-LDT/3GHU-LDT_decoy_scores.csv |
3GJ7-GDP | data/3G/3GJ7-GDP/3GJ7-GDP_ligand.pdbqt | data/3G/3GJ7-GDP/3GJ7-GDP_target.pdbqt | data/3G/3GJ7-GDP/3GJ7-GDP_decoys.pdbqt | data/3G/3GJ7-GDP/3GJ7-GDP_decoy_scores.csv |
3GZC-PLR | data/3G/3GZC-PLR/3GZC-PLR_ligand.pdbqt | data/3G/3GZC-PLR/3GZC-PLR_target.pdbqt | data/3G/3GZC-PLR/3GZC-PLR_decoys.pdbqt | data/3G/3GZC-PLR/3GZC-PLR_decoy_scores.csv |
3GVI-ADP | data/3G/3GVI-ADP/3GVI-ADP_ligand.pdbqt | data/3G/3GVI-ADP/3GVI-ADP_target.pdbqt | data/3G/3GVI-ADP/3GVI-ADP_decoys.pdbqt | data/3G/3GVI-ADP/3GVI-ADP_decoy_scores.csv |
3G42-792 | data/3G/3G42-792/3G42-792_ligand.pdbqt | data/3G/3G42-792/3G42-792_target.pdbqt | data/3G/3G42-792/3G42-792_decoys.pdbqt | data/3G/3G42-792/3G42-792_decoy_scores.csv |
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