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 ⌀ |
|---|---|---|---|---|
4ABB-K9S | data/4A/4ABB-K9S/4ABB-K9S_ligand.pdbqt | data/4A/4ABB-K9S/4ABB-K9S_target.pdbqt | data/4A/4ABB-K9S/4ABB-K9S_decoys.pdbqt | data/4A/4ABB-K9S/4ABB-K9S_decoy_scores.csv |
4A07-ATP | data/4A/4A07-ATP/4A07-ATP_ligand.pdbqt | data/4A/4A07-ATP/4A07-ATP_target.pdbqt | data/4A/4A07-ATP/4A07-ATP_decoys.pdbqt | data/4A/4A07-ATP/4A07-ATP_decoy_scores.csv |
4AJP-88N | data/4A/4AJP-88N/4AJP-88N_ligand.pdbqt | data/4A/4AJP-88N/4AJP-88N_target.pdbqt | data/4A/4AJP-88N/4AJP-88N_decoys.pdbqt | data/4A/4AJP-88N/4AJP-88N_decoy_scores.csv |
4ABW-42M | data/4A/4ABW-42M/4ABW-42M_ligand.pdbqt | data/4A/4ABW-42M/4ABW-42M_target.pdbqt | data/4A/4ABW-42M/4ABW-42M_decoys.pdbqt | data/4A/4ABW-42M/4ABW-42M_decoy_scores.csv |
4AVG-SL6 | data/4A/4AVG-SL6/4AVG-SL6_ligand.pdbqt | data/4A/4AVG-SL6/4AVG-SL6_target.pdbqt | data/4A/4AVG-SL6/4AVG-SL6_decoys.pdbqt | data/4A/4AVG-SL6/4AVG-SL6_decoy_scores.csv |
4AN3-5Y0 | data/4A/4AN3-5Y0/4AN3-5Y0_ligand.pdbqt | data/4A/4AN3-5Y0/4AN3-5Y0_target.pdbqt | data/4A/4AN3-5Y0/4AN3-5Y0_decoys.pdbqt | data/4A/4AN3-5Y0/4AN3-5Y0_decoy_scores.csv |
4AWT-PE4 | data/4A/4AWT-PE4/4AWT-PE4_ligand.pdbqt | data/4A/4AWT-PE4/4AWT-PE4_target.pdbqt | data/4A/4AWT-PE4/4AWT-PE4_decoys.pdbqt | data/4A/4AWT-PE4/4AWT-PE4_decoy_scores.csv |
4A84-DXC | data/4A/4A84-DXC/4A84-DXC_ligand.pdbqt | data/4A/4A84-DXC/4A84-DXC_target.pdbqt | data/4A/4A84-DXC/4A84-DXC_decoys.pdbqt | data/4A/4A84-DXC/4A84-DXC_decoy_scores.csv |
4A2Z-VIQ | data/4A/4A2Z-VIQ/4A2Z-VIQ_ligand.pdbqt | data/4A/4A2Z-VIQ/4A2Z-VIQ_target.pdbqt | data/4A/4A2Z-VIQ/4A2Z-VIQ_decoys.pdbqt | data/4A/4A2Z-VIQ/4A2Z-VIQ_decoy_scores.csv |
4AZA-MGO | data/4A/4AZA-MGO/4AZA-MGO_ligand.pdbqt | data/4A/4AZA-MGO/4AZA-MGO_target.pdbqt | data/4A/4AZA-MGO/4AZA-MGO_decoys.pdbqt | data/4A/4AZA-MGO/4AZA-MGO_decoy_scores.csv |
4A7V-LDP | data/4A/4A7V-LDP/4A7V-LDP_ligand.pdbqt | data/4A/4A7V-LDP/4A7V-LDP_target.pdbqt | data/4A/4A7V-LDP/4A7V-LDP_decoys.pdbqt | data/4A/4A7V-LDP/4A7V-LDP_decoy_scores.csv |
4ASA-59C | data/4A/4ASA-59C/4ASA-59C_ligand.pdbqt | data/4A/4ASA-59C/4ASA-59C_target.pdbqt | data/4A/4ASA-59C/4ASA-59C_decoys.pdbqt | data/4A/4ASA-59C/4ASA-59C_decoy_scores.csv |
4AZ6-P15 | data/4A/4AZ6-P15/4AZ6-P15_ligand.pdbqt | data/4A/4AZ6-P15/4AZ6-P15_target.pdbqt | data/4A/4AZ6-P15/4AZ6-P15_decoys.pdbqt | data/4A/4AZ6-P15/4AZ6-P15_decoy_scores.csv |
4AJB-ICT | data/4A/4AJB-ICT/4AJB-ICT_ligand.pdbqt | data/4A/4AJB-ICT/4AJB-ICT_target.pdbqt | data/4A/4AJB-ICT/4AJB-ICT_decoys.pdbqt | data/4A/4AJB-ICT/4AJB-ICT_decoy_scores.csv |
4A7A-RGZ | data/4A/4A7A-RGZ/4A7A-RGZ_ligand.pdbqt | data/4A/4A7A-RGZ/4A7A-RGZ_target.pdbqt | data/4A/4A7A-RGZ/4A7A-RGZ_decoys.pdbqt | data/4A/4A7A-RGZ/4A7A-RGZ_decoy_scores.csv |
4AJX-16E | data/4A/4AJX-16E/4AJX-16E_ligand.pdbqt | data/4A/4AJX-16E/4AJX-16E_target.pdbqt | data/4A/4AJX-16E/4AJX-16E_decoys.pdbqt | data/4A/4AJX-16E/4AJX-16E_decoy_scores.csv |
4AAA-DKI | data/4A/4AAA-DKI/4AAA-DKI_ligand.pdbqt | data/4A/4AAA-DKI/4AAA-DKI_target.pdbqt | data/4A/4AAA-DKI/4AAA-DKI_decoys.pdbqt | data/4A/4AAA-DKI/4AAA-DKI_decoy_scores.csv |
4AML-GYU | data/4A/4AML-GYU/4AML-GYU_ligand.pdbqt | data/4A/4AML-GYU/4AML-GYU_target.pdbqt | data/4A/4AML-GYU/4AML-GYU_decoys.pdbqt | data/4A/4AML-GYU/4AML-GYU_decoy_scores.csv |
4AHS-AKH | data/4A/4AHS-AKH/4AHS-AKH_ligand.pdbqt | data/4A/4AHS-AKH/4AHS-AKH_target.pdbqt | data/4A/4AHS-AKH/4AHS-AKH_decoys.pdbqt | data/4A/4AHS-AKH/4AHS-AKH_decoy_scores.csv |
4ASE-AV9 | data/4A/4ASE-AV9/4ASE-AV9_ligand.pdbqt | data/4A/4ASE-AV9/4ASE-AV9_target.pdbqt | data/4A/4ASE-AV9/4ASE-AV9_decoys.pdbqt | data/4A/4ASE-AV9/4ASE-AV9_decoy_scores.csv |
4A86-H35 | data/4A/4A86-H35/4A86-H35_ligand.pdbqt | data/4A/4A86-H35/4A86-H35_target.pdbqt | data/4A/4A86-H35/4A86-H35_decoys.pdbqt | data/4A/4A86-H35/4A86-H35_decoy_scores.csv |
4ATT-HNV | data/4A/4ATT-HNV/4ATT-HNV_ligand.pdbqt | data/4A/4ATT-HNV/4ATT-HNV_target.pdbqt | data/4A/4ATT-HNV/4ATT-HNV_decoys.pdbqt | data/4A/4ATT-HNV/4ATT-HNV_decoy_scores.csv |
4AXX-3PG | data/4A/4AXX-3PG/4AXX-3PG_ligand.pdbqt | data/4A/4AXX-3PG/4AXX-3PG_target.pdbqt | null | null |
4A5Y-ADP | data/4A/4A5Y-ADP/4A5Y-ADP_ligand.pdbqt | data/4A/4A5Y-ADP/4A5Y-ADP_target.pdbqt | data/4A/4A5Y-ADP/4A5Y-ADP_decoys.pdbqt | data/4A/4A5Y-ADP/4A5Y-ADP_decoy_scores.csv |
4AXA-RKD | data/4A/4AXA-RKD/4AXA-RKD_ligand.pdbqt | data/4A/4AXA-RKD/4AXA-RKD_target.pdbqt | data/4A/4AXA-RKD/4AXA-RKD_decoys.pdbqt | data/4A/4AXA-RKD/4AXA-RKD_decoy_scores.csv |
4AVH-FK9 | data/4A/4AVH-FK9/4AVH-FK9_ligand.pdbqt | data/4A/4AVH-FK9/4AVH-FK9_target.pdbqt | data/4A/4AVH-FK9/4AVH-FK9_decoys.pdbqt | data/4A/4AVH-FK9/4AVH-FK9_decoy_scores.csv |
4A62-ANP | data/4A/4A62-ANP/4A62-ANP_ligand.pdbqt | data/4A/4A62-ANP/4A62-ANP_target.pdbqt | data/4A/4A62-ANP/4A62-ANP_decoys.pdbqt | data/4A/4A62-ANP/4A62-ANP_decoy_scores.csv |
4ADI-NGA | data/4A/4ADI-NGA/4ADI-NGA_ligand.pdbqt | data/4A/4ADI-NGA/4ADI-NGA_target.pdbqt | data/4A/4ADI-NGA/4ADI-NGA_decoys.pdbqt | data/4A/4ADI-NGA/4ADI-NGA_decoy_scores.csv |
4A07-AZ7 | data/4A/4A07-AZ7/4A07-AZ7_ligand.pdbqt | data/4A/4A07-AZ7/4A07-AZ7_target.pdbqt | data/4A/4A07-AZ7/4A07-AZ7_decoys.pdbqt | data/4A/4A07-AZ7/4A07-AZ7_decoy_scores.csv |
4AKB-GAL | data/4A/4AKB-GAL/4AKB-GAL_ligand.pdbqt | data/4A/4AKB-GAL/4AKB-GAL_target.pdbqt | data/4A/4AKB-GAL/4AKB-GAL_decoys.pdbqt | data/4A/4AKB-GAL/4AKB-GAL_decoy_scores.csv |
4AJC-A2P | data/4A/4AJC-A2P/4AJC-A2P_ligand.pdbqt | data/4A/4AJC-A2P/4AJC-A2P_target.pdbqt | data/4A/4AJC-A2P/4AJC-A2P_decoys.pdbqt | data/4A/4AJC-A2P/4AJC-A2P_decoy_scores.csv |
4AB4-TNL | data/4A/4AB4-TNL/4AB4-TNL_ligand.pdbqt | data/4A/4AB4-TNL/4AB4-TNL_target.pdbqt | data/4A/4AB4-TNL/4AB4-TNL_decoys.pdbqt | data/4A/4AB4-TNL/4AB4-TNL_decoy_scores.csv |
4AHV-Z5P | data/4A/4AHV-Z5P/4AHV-Z5P_ligand.pdbqt | data/4A/4AHV-Z5P/4AHV-Z5P_target.pdbqt | data/4A/4AHV-Z5P/4AHV-Z5P_decoys.pdbqt | data/4A/4AHV-Z5P/4AHV-Z5P_decoy_scores.csv |
4ACT-FT0 | data/4A/4ACT-FT0/4ACT-FT0_ligand.pdbqt | data/4A/4ACT-FT0/4ACT-FT0_target.pdbqt | data/4A/4ACT-FT0/4ACT-FT0_decoys.pdbqt | data/4A/4ACT-FT0/4ACT-FT0_decoy_scores.csv |
4AV4-FVQ | data/4A/4AV4-FVQ/4AV4-FVQ_ligand.pdbqt | data/4A/4AV4-FVQ/4AV4-FVQ_target.pdbqt | data/4A/4AV4-FVQ/4AV4-FVQ_decoys.pdbqt | data/4A/4AV4-FVQ/4AV4-FVQ_decoy_scores.csv |
4AZB-OAN | data/4A/4AZB-OAN/4AZB-OAN_ligand.pdbqt | data/4A/4AZB-OAN/4AZB-OAN_target.pdbqt | data/4A/4AZB-OAN/4AZB-OAN_decoys.pdbqt | data/4A/4AZB-OAN/4AZB-OAN_decoy_scores.csv |
4AIU-GC3 | data/4A/4AIU-GC3/4AIU-GC3_ligand.pdbqt | data/4A/4AIU-GC3/4AIU-GC3_target.pdbqt | data/4A/4AIU-GC3/4AIU-GC3_decoys.pdbqt | data/4A/4AIU-GC3/4AIU-GC3_decoy_scores.csv |
4AZQ-G2A | data/4A/4AZQ-G2A/4AZQ-G2A_ligand.pdbqt | data/4A/4AZQ-G2A/4AZQ-G2A_target.pdbqt | data/4A/4AZQ-G2A/4AZQ-G2A_decoys.pdbqt | data/4A/4AZQ-G2A/4AZQ-G2A_decoy_scores.csv |
4AM8-PAO | data/4A/4AM8-PAO/4AM8-PAO_ligand.pdbqt | data/4A/4AM8-PAO/4AM8-PAO_target.pdbqt | data/4A/4AM8-PAO/4AM8-PAO_decoys.pdbqt | data/4A/4AM8-PAO/4AM8-PAO_decoy_scores.csv |
4AQ0-DMJ | data/4A/4AQ0-DMJ/4AQ0-DMJ_ligand.pdbqt | data/4A/4AQ0-DMJ/4AQ0-DMJ_target.pdbqt | data/4A/4AQ0-DMJ/4AQ0-DMJ_decoys.pdbqt | data/4A/4AQ0-DMJ/4AQ0-DMJ_decoy_scores.csv |
4A1O-JLN | data/4A/4A1O-JLN/4A1O-JLN_ligand.pdbqt | data/4A/4A1O-JLN/4A1O-JLN_target.pdbqt | data/4A/4A1O-JLN/4A1O-JLN_decoys.pdbqt | data/4A/4A1O-JLN/4A1O-JLN_decoy_scores.csv |
4AE3-27X | data/4A/4AE3-27X/4AE3-27X_ligand.pdbqt | data/4A/4AE3-27X/4AE3-27X_target.pdbqt | null | null |
4AMW-5DI | data/4A/4AMW-5DI/4AMW-5DI_ligand.pdbqt | data/4A/4AMW-5DI/4AMW-5DI_target.pdbqt | data/4A/4AMW-5DI/4AMW-5DI_decoys.pdbqt | data/4A/4AMW-5DI/4AMW-5DI_decoy_scores.csv |
4AXX-ADP | data/4A/4AXX-ADP/4AXX-ADP_ligand.pdbqt | data/4A/4AXX-ADP/4AXX-ADP_target.pdbqt | null | null |
4AE4-NHE | data/4A/4AE4-NHE/4AE4-NHE_ligand.pdbqt | data/4A/4AE4-NHE/4AE4-NHE_target.pdbqt | data/4A/4AE4-NHE/4AE4-NHE_decoys.pdbqt | data/4A/4AE4-NHE/4AE4-NHE_decoy_scores.csv |
4A69-I0P | data/4A/4A69-I0P/4A69-I0P_ligand.pdbqt | data/4A/4A69-I0P/4A69-I0P_target.pdbqt | data/4A/4A69-I0P/4A69-I0P_decoys.pdbqt | data/4A/4A69-I0P/4A69-I0P_decoy_scores.csv |
4AC7-FLC | data/4A/4AC7-FLC/4AC7-FLC_ligand.pdbqt | data/4A/4AC7-FLC/4AC7-FLC_target.pdbqt | data/4A/4AC7-FLC/4AC7-FLC_decoys.pdbqt | data/4A/4AC7-FLC/4AC7-FLC_decoy_scores.csv |
4ALK-E9P | data/4A/4ALK-E9P/4ALK-E9P_ligand.pdbqt | data/4A/4ALK-E9P/4ALK-E9P_target.pdbqt | data/4A/4ALK-E9P/4ALK-E9P_decoys.pdbqt | data/4A/4ALK-E9P/4ALK-E9P_decoy_scores.csv |
4AUA-4AU | data/4A/4AUA-4AU/4AUA-4AU_ligand.pdbqt | data/4A/4AUA-4AU/4AUA-4AU_target.pdbqt | data/4A/4AUA-4AU/4AUA-4AU_decoys.pdbqt | data/4A/4AUA-4AU/4AUA-4AU_decoy_scores.csv |
4AU8-Z3R | data/4A/4AU8-Z3R/4AU8-Z3R_ligand.pdbqt | data/4A/4AU8-Z3R/4AU8-Z3R_target.pdbqt | data/4A/4AU8-Z3R/4AU8-Z3R_decoys.pdbqt | data/4A/4AU8-Z3R/4AU8-Z3R_decoy_scores.csv |
4AWO-99B | data/4A/4AWO-99B/4AWO-99B_ligand.pdbqt | data/4A/4AWO-99B/4AWO-99B_target.pdbqt | data/4A/4AWO-99B/4AWO-99B_decoys.pdbqt | data/4A/4AWO-99B/4AWO-99B_decoy_scores.csv |
4ADU-R5P | data/4A/4ADU-R5P/4ADU-R5P_ligand.pdbqt | data/4A/4ADU-R5P/4ADU-R5P_target.pdbqt | data/4A/4ADU-R5P/4ADU-R5P_decoys.pdbqt | data/4A/4ADU-R5P/4ADU-R5P_decoy_scores.csv |
4ABE-913 | data/4A/4ABE-913/4ABE-913_ligand.pdbqt | data/4A/4ABE-913/4ABE-913_target.pdbqt | data/4A/4ABE-913/4ABE-913_decoys.pdbqt | data/4A/4ABE-913/4ABE-913_decoy_scores.csv |
4A9L-P9L | data/4A/4A9L-P9L/4A9L-P9L_ligand.pdbqt | data/4A/4A9L-P9L/4A9L-P9L_target.pdbqt | data/4A/4A9L-P9L/4A9L-P9L_decoys.pdbqt | data/4A/4A9L-P9L/4A9L-P9L_decoy_scores.csv |
4AJL-88W | data/4A/4AJL-88W/4AJL-88W_ligand.pdbqt | data/4A/4AJL-88W/4AJL-88W_target.pdbqt | data/4A/4AJL-88W/4AJL-88W_decoys.pdbqt | data/4A/4AJL-88W/4AJL-88W_decoy_scores.csv |
4AB9-VXQ | data/4A/4AB9-VXQ/4AB9-VXQ_ligand.pdbqt | data/4A/4AB9-VXQ/4AB9-VXQ_target.pdbqt | data/4A/4AB9-VXQ/4AB9-VXQ_decoys.pdbqt | data/4A/4AB9-VXQ/4AB9-VXQ_decoy_scores.csv |
4AJK-88S | data/4A/4AJK-88S/4AJK-88S_ligand.pdbqt | data/4A/4AJK-88S/4AJK-88S_target.pdbqt | data/4A/4AJK-88S/4AJK-88S_decoys.pdbqt | data/4A/4AJK-88S/4AJK-88S_decoy_scores.csv |
4ABF-513 | data/4A/4ABF-513/4ABF-513_ligand.pdbqt | data/4A/4ABF-513/4ABF-513_target.pdbqt | data/4A/4ABF-513/4ABF-513_decoys.pdbqt | data/4A/4ABF-513/4ABF-513_decoy_scores.csv |
4AJ1-AJ1 | data/4A/4AJ1-AJ1/4AJ1-AJ1_ligand.pdbqt | data/4A/4AJ1-AJ1/4AJ1-AJ1_target.pdbqt | data/4A/4AJ1-AJ1/4AJ1-AJ1_decoys.pdbqt | data/4A/4AJ1-AJ1/4AJ1-AJ1_decoy_scores.csv |
4AGU-D15 | data/4A/4AGU-D15/4AGU-D15_ligand.pdbqt | data/4A/4AGU-D15/4AGU-D15_target.pdbqt | data/4A/4AGU-D15/4AGU-D15_decoys.pdbqt | data/4A/4AGU-D15/4AGU-D15_decoy_scores.csv |
4AB4-FMN | data/4A/4AB4-FMN/4AB4-FMN_ligand.pdbqt | data/4A/4AB4-FMN/4AB4-FMN_target.pdbqt | data/4A/4AB4-FMN/4AB4-FMN_decoys.pdbqt | data/4A/4AB4-FMN/4AB4-FMN_decoy_scores.csv |
4A1Y-PLM | data/4A/4A1Y-PLM/4A1Y-PLM_ligand.pdbqt | data/4A/4A1Y-PLM/4A1Y-PLM_target.pdbqt | data/4A/4A1Y-PLM/4A1Y-PLM_decoys.pdbqt | data/4A/4A1Y-PLM/4A1Y-PLM_decoy_scores.csv |
4A8H-PUW | data/4A/4A8H-PUW/4A8H-PUW_ligand.pdbqt | data/4A/4A8H-PUW/4A8H-PUW_target.pdbqt | data/4A/4A8H-PUW/4A8H-PUW_decoys.pdbqt | data/4A/4A8H-PUW/4A8H-PUW_decoy_scores.csv |
4A7T-5FW | data/4A/4A7T-5FW/4A7T-5FW_ligand.pdbqt | data/4A/4A7T-5FW/4A7T-5FW_target.pdbqt | data/4A/4A7T-5FW/4A7T-5FW_decoys.pdbqt | data/4A/4A7T-5FW/4A7T-5FW_decoy_scores.csv |
4ATJ-BHO | data/4A/4ATJ-BHO/4ATJ-BHO_ligand.pdbqt | data/4A/4ATJ-BHO/4ATJ-BHO_target.pdbqt | data/4A/4ATJ-BHO/4ATJ-BHO_decoys.pdbqt | data/4A/4ATJ-BHO/4ATJ-BHO_decoy_scores.csv |
4AS7-6LX | data/4A/4AS7-6LX/4AS7-6LX_ligand.pdbqt | data/4A/4AS7-6LX/4AS7-6LX_target.pdbqt | data/4A/4AS7-6LX/4AS7-6LX_decoys.pdbqt | data/4A/4AS7-6LX/4AS7-6LX_decoy_scores.csv |
4A01-DMU | data/4A/4A01-DMU/4A01-DMU_ligand.pdbqt | data/4A/4A01-DMU/4A01-DMU_target.pdbqt | data/4A/4A01-DMU/4A01-DMU_decoys.pdbqt | data/4A/4A01-DMU/4A01-DMU_decoy_scores.csv |
4A8P-PAO | data/4A/4A8P-PAO/4A8P-PAO_ligand.pdbqt | data/4A/4A8P-PAO/4A8P-PAO_target.pdbqt | data/4A/4A8P-PAO/4A8P-PAO_decoys.pdbqt | data/4A/4A8P-PAO/4A8P-PAO_decoy_scores.csv |
4AWJ-V6F | data/4A/4AWJ-V6F/4AWJ-V6F_ligand.pdbqt | data/4A/4AWJ-V6F/4AWJ-V6F_target.pdbqt | null | null |
4AW5-30K | data/4A/4AW5-30K/4AW5-30K_ligand.pdbqt | data/4A/4AW5-30K/4AW5-30K_target.pdbqt | data/4A/4AW5-30K/4AW5-30K_decoys.pdbqt | data/4A/4AW5-30K/4AW5-30K_decoy_scores.csv |
4A86-2AN | data/4A/4A86-2AN/4A86-2AN_ligand.pdbqt | data/4A/4A86-2AN/4A86-2AN_target.pdbqt | data/4A/4A86-2AN/4A86-2AN_decoys.pdbqt | data/4A/4A86-2AN/4A86-2AN_decoy_scores.csv |
4AZ5-PE4 | data/4A/4AZ5-PE4/4AZ5-PE4_ligand.pdbqt | data/4A/4AZ5-PE4/4AZ5-PE4_target.pdbqt | data/4A/4AZ5-PE4/4AZ5-PE4_decoys.pdbqt | data/4A/4AZ5-PE4/4AZ5-PE4_decoy_scores.csv |
4A2J-AS0 | data/4A/4A2J-AS0/4A2J-AS0_ligand.pdbqt | data/4A/4A2J-AS0/4A2J-AS0_target.pdbqt | data/4A/4A2J-AS0/4A2J-AS0_decoys.pdbqt | data/4A/4A2J-AS0/4A2J-AS0_decoy_scores.csv |
4AJG-F07 | data/4A/4AJG-F07/4AJG-F07_ligand.pdbqt | data/4A/4AJG-F07/4AJG-F07_target.pdbqt | data/4A/4AJG-F07/4AJG-F07_decoys.pdbqt | data/4A/4AJG-F07/4AJG-F07_decoy_scores.csv |
4AFF-ATP | data/4A/4AFF-ATP/4AFF-ATP_ligand.pdbqt | data/4A/4AFF-ATP/4AFF-ATP_target.pdbqt | data/4A/4AFF-ATP/4AFF-ATP_decoys.pdbqt | data/4A/4AFF-ATP/4AFF-ATP_decoy_scores.csv |
4AVI-XNS | data/4A/4AVI-XNS/4AVI-XNS_ligand.pdbqt | data/4A/4AVI-XNS/4AVI-XNS_target.pdbqt | data/4A/4AVI-XNS/4AVI-XNS_decoys.pdbqt | data/4A/4AVI-XNS/4AVI-XNS_decoy_scores.csv |
4ANS-VGH | data/4A/4ANS-VGH/4ANS-VGH_ligand.pdbqt | data/4A/4ANS-VGH/4ANS-VGH_target.pdbqt | data/4A/4ANS-VGH/4ANS-VGH_decoys.pdbqt | data/4A/4ANS-VGH/4ANS-VGH_decoy_scores.csv |
4A6L-P43 | data/4A/4A6L-P43/4A6L-P43_ligand.pdbqt | data/4A/4A6L-P43/4A6L-P43_target.pdbqt | data/4A/4A6L-P43/4A6L-P43_decoys.pdbqt | data/4A/4A6L-P43/4A6L-P43_decoy_scores.csv |
4A1O-AMZ | data/4A/4A1O-AMZ/4A1O-AMZ_ligand.pdbqt | data/4A/4A1O-AMZ/4A1O-AMZ_target.pdbqt | data/4A/4A1O-AMZ/4A1O-AMZ_decoys.pdbqt | data/4A/4A1O-AMZ/4A1O-AMZ_decoy_scores.csv |
4AW1-ATP | data/4A/4AW1-ATP/4AW1-ATP_ligand.pdbqt | data/4A/4AW1-ATP/4AW1-ATP_target.pdbqt | data/4A/4AW1-ATP/4AW1-ATP_decoys.pdbqt | data/4A/4AW1-ATP/4AW1-ATP_decoy_scores.csv |
4AWK-CI1 | data/4A/4AWK-CI1/4AWK-CI1_ligand.pdbqt | data/4A/4AWK-CI1/4AWK-CI1_target.pdbqt | data/4A/4AWK-CI1/4AWK-CI1_decoys.pdbqt | data/4A/4AWK-CI1/4AWK-CI1_decoy_scores.csv |
4ACU-QN7 | data/4A/4ACU-QN7/4ACU-QN7_ligand.pdbqt | data/4A/4ACU-QN7/4ACU-QN7_target.pdbqt | data/4A/4ACU-QN7/4ACU-QN7_decoys.pdbqt | data/4A/4ACU-QN7/4ACU-QN7_decoy_scores.csv |
4AA7-R82 | data/4A/4AA7-R82/4AA7-R82_ligand.pdbqt | data/4A/4AA7-R82/4AA7-R82_target.pdbqt | data/4A/4AA7-R82/4AA7-R82_decoys.pdbqt | data/4A/4AA7-R82/4AA7-R82_decoy_scores.csv |
4AAH-PQQ | data/4A/4AAH-PQQ/4AAH-PQQ_ligand.pdbqt | data/4A/4AAH-PQQ/4AAH-PQQ_target.pdbqt | data/4A/4AAH-PQQ/4AAH-PQQ_decoys.pdbqt | data/4A/4AAH-PQQ/4AAH-PQQ_decoy_scores.csv |
4ARE-P6G | data/4A/4ARE-P6G/4ARE-P6G_ligand.pdbqt | data/4A/4ARE-P6G/4ARE-P6G_target.pdbqt | data/4A/4ARE-P6G/4ARE-P6G_decoys.pdbqt | data/4A/4ARE-P6G/4ARE-P6G_decoy_scores.csv |
4A3H-DCB | data/4A/4A3H-DCB/4A3H-DCB_ligand.pdbqt | data/4A/4A3H-DCB/4A3H-DCB_target.pdbqt | data/4A/4A3H-DCB/4A3H-DCB_decoys.pdbqt | data/4A/4A3H-DCB/4A3H-DCB_decoy_scores.csv |
4ARV-TOE | data/4A/4ARV-TOE/4ARV-TOE_ligand.pdbqt | data/4A/4ARV-TOE/4ARV-TOE_target.pdbqt | data/4A/4ARV-TOE/4ARV-TOE_decoys.pdbqt | data/4A/4ARV-TOE/4ARV-TOE_decoy_scores.csv |
4ANM-WUL | data/4A/4ANM-WUL/4ANM-WUL_ligand.pdbqt | data/4A/4ANM-WUL/4ANM-WUL_target.pdbqt | data/4A/4ANM-WUL/4ANM-WUL_decoys.pdbqt | data/4A/4ANM-WUL/4ANM-WUL_decoy_scores.csv |
4A6X-ATP | data/4A/4A6X-ATP/4A6X-ATP_ligand.pdbqt | data/4A/4A6X-ATP/4A6X-ATP_target.pdbqt | data/4A/4A6X-ATP/4A6X-ATP_decoys.pdbqt | data/4A/4A6X-ATP/4A6X-ATP_decoy_scores.csv |
4A22-TD4 | data/4A/4A22-TD4/4A22-TD4_ligand.pdbqt | data/4A/4A22-TD4/4A22-TD4_target.pdbqt | data/4A/4A22-TD4/4A22-TD4_decoys.pdbqt | data/4A/4A22-TD4/4A22-TD4_decoy_scores.csv |
4A5R-TBE | data/4A/4A5R-TBE/4A5R-TBE_ligand.pdbqt | data/4A/4A5R-TBE/4A5R-TBE_target.pdbqt | data/4A/4A5R-TBE/4A5R-TBE_decoys.pdbqt | data/4A/4A5R-TBE/4A5R-TBE_decoy_scores.csv |
4AZ7-LOG | data/4A/4AZ7-LOG/4AZ7-LOG_ligand.pdbqt | data/4A/4AZ7-LOG/4AZ7-LOG_target.pdbqt | data/4A/4AZ7-LOG/4AZ7-LOG_decoys.pdbqt | data/4A/4AZ7-LOG/4AZ7-LOG_decoy_scores.csv |
4A1H-PLM | data/4A/4A1H-PLM/4A1H-PLM_ligand.pdbqt | data/4A/4A1H-PLM/4A1H-PLM_target.pdbqt | data/4A/4A1H-PLM/4A1H-PLM_decoys.pdbqt | data/4A/4A1H-PLM/4A1H-PLM_decoy_scores.csv |
4A7U-ALE | data/4A/4A7U-ALE/4A7U-ALE_ligand.pdbqt | data/4A/4A7U-ALE/4A7U-ALE_target.pdbqt | data/4A/4A7U-ALE/4A7U-ALE_decoys.pdbqt | data/4A/4A7U-ALE/4A7U-ALE_decoy_scores.csv |
4AD3-DMJ | data/4A/4AD3-DMJ/4AD3-DMJ_ligand.pdbqt | data/4A/4AD3-DMJ/4AD3-DMJ_target.pdbqt | data/4A/4AD3-DMJ/4AD3-DMJ_decoys.pdbqt | data/4A/4AD3-DMJ/4AD3-DMJ_decoy_scores.csv |
4A44-A2G | data/4A/4A44-A2G/4A44-A2G_ligand.pdbqt | data/4A/4A44-A2G/4A44-A2G_target.pdbqt | data/4A/4A44-A2G/4A44-A2G_decoys.pdbqt | data/4A/4A44-A2G/4A44-A2G_decoy_scores.csv |
4AMY-2P2 | data/4A/4AMY-2P2/4AMY-2P2_ligand.pdbqt | data/4A/4AMY-2P2/4AMY-2P2_target.pdbqt | data/4A/4AMY-2P2/4AMY-2P2_decoys.pdbqt | data/4A/4AMY-2P2/4AMY-2P2_decoy_scores.csv |
4A30-QMI | data/4A/4A30-QMI/4A30-QMI_ligand.pdbqt | data/4A/4A30-QMI/4A30-QMI_target.pdbqt | data/4A/4A30-QMI/4A30-QMI_decoys.pdbqt | data/4A/4A30-QMI/4A30-QMI_decoy_scores.csv |
4AQ0-B3P | data/4A/4AQ0-B3P/4AQ0-B3P_ligand.pdbqt | data/4A/4AQ0-B3P/4AQ0-B3P_target.pdbqt | data/4A/4AQ0-B3P/4AQ0-B3P_decoys.pdbqt | data/4A/4AQ0-B3P/4AQ0-B3P_decoy_scores.csv |
4AJM-3A6 | data/4A/4AJM-3A6/4AJM-3A6_ligand.pdbqt | data/4A/4AJM-3A6/4AJM-3A6_target.pdbqt | data/4A/4AJM-3A6/4AJM-3A6_decoys.pdbqt | data/4A/4AJM-3A6/4AJM-3A6_decoy_scores.csv |
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