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 ⌀ |
|---|---|---|---|---|
4KAL-ADN | data/4K/4KAL-ADN/4KAL-ADN_ligand.pdbqt | data/4K/4KAL-ADN/4KAL-ADN_target.pdbqt | data/4K/4KAL-ADN/4KAL-ADN_decoys.pdbqt | data/4K/4KAL-ADN/4KAL-ADN_decoy_scores.csv |
4KYH-ZST | data/4K/4KYH-ZST/4KYH-ZST_ligand.pdbqt | data/4K/4KYH-ZST/4KYH-ZST_target.pdbqt | data/4K/4KYH-ZST/4KYH-ZST_decoys.pdbqt | data/4K/4KYH-ZST/4KYH-ZST_decoy_scores.csv |
4K5Z-1P7 | data/4K/4K5Z-1P7/4K5Z-1P7_ligand.pdbqt | data/4K/4K5Z-1P7/4K5Z-1P7_target.pdbqt | data/4K/4K5Z-1P7/4K5Z-1P7_decoys.pdbqt | data/4K/4K5Z-1P7/4K5Z-1P7_decoy_scores.csv |
4KPT-ETE | data/4K/4KPT-ETE/4KPT-ETE_ligand.pdbqt | data/4K/4KPT-ETE/4KPT-ETE_target.pdbqt | data/4K/4KPT-ETE/4KPT-ETE_decoys.pdbqt | data/4K/4KPT-ETE/4KPT-ETE_decoy_scores.csv |
4KFT-AGS | data/4K/4KFT-AGS/4KFT-AGS_ligand.pdbqt | data/4K/4KFT-AGS/4KFT-AGS_target.pdbqt | data/4K/4KFT-AGS/4KFT-AGS_decoys.pdbqt | data/4K/4KFT-AGS/4KFT-AGS_decoy_scores.csv |
4KAC-1Q9 | data/4K/4KAC-1Q9/4KAC-1Q9_ligand.pdbqt | data/4K/4KAC-1Q9/4KAC-1Q9_target.pdbqt | data/4K/4KAC-1Q9/4KAC-1Q9_decoys.pdbqt | data/4K/4KAC-1Q9/4KAC-1Q9_decoy_scores.csv |
4KBY-C2E | data/4K/4KBY-C2E/4KBY-C2E_ligand.pdbqt | data/4K/4KBY-C2E/4KBY-C2E_target.pdbqt | data/4K/4KBY-C2E/4KBY-C2E_decoys.pdbqt | data/4K/4KBY-C2E/4KBY-C2E_decoy_scores.csv |
4KRS-1SX | data/4K/4KRS-1SX/4KRS-1SX_ligand.pdbqt | data/4K/4KRS-1SX/4KRS-1SX_target.pdbqt | data/4K/4KRS-1SX/4KRS-1SX_decoys.pdbqt | data/4K/4KRS-1SX/4KRS-1SX_decoy_scores.csv |
4KMV-T6C | data/4K/4KMV-T6C/4KMV-T6C_ligand.pdbqt | data/4K/4KMV-T6C/4KMV-T6C_target.pdbqt | data/4K/4KMV-T6C/4KMV-T6C_decoys.pdbqt | data/4K/4KMV-T6C/4KMV-T6C_decoy_scores.csv |
4K4O-DOO | data/4K/4K4O-DOO/4K4O-DOO_ligand.pdbqt | data/4K/4K4O-DOO/4K4O-DOO_target.pdbqt | data/4K/4K4O-DOO/4K4O-DOO_decoys.pdbqt | data/4K/4K4O-DOO/4K4O-DOO_decoy_scores.csv |
4KZ9-1U7 | data/4K/4KZ9-1U7/4KZ9-1U7_ligand.pdbqt | data/4K/4KZ9-1U7/4KZ9-1U7_target.pdbqt | data/4K/4KZ9-1U7/4KZ9-1U7_decoys.pdbqt | data/4K/4KZ9-1U7/4KZ9-1U7_decoy_scores.csv |
4K5V-THP | data/4K/4K5V-THP/4K5V-THP_ligand.pdbqt | data/4K/4K5V-THP/4K5V-THP_target.pdbqt | data/4K/4K5V-THP/4K5V-THP_decoys.pdbqt | data/4K/4K5V-THP/4K5V-THP_decoy_scores.csv |
4KTR-PE5 | data/4K/4KTR-PE5/4KTR-PE5_ligand.pdbqt | data/4K/4KTR-PE5/4KTR-PE5_target.pdbqt | data/4K/4KTR-PE5/4KTR-PE5_decoys.pdbqt | data/4K/4KTR-PE5/4KTR-PE5_decoy_scores.csv |
4K2F-A08 | data/4K/4K2F-A08/4K2F-A08_ligand.pdbqt | data/4K/4K2F-A08/4K2F-A08_target.pdbqt | data/4K/4K2F-A08/4K2F-A08_decoys.pdbqt | data/4K/4K2F-A08/4K2F-A08_decoy_scores.csv |
4KLR-CHD | data/4K/4KLR-CHD/4KLR-CHD_ligand.pdbqt | data/4K/4KLR-CHD/4KLR-CHD_target.pdbqt | data/4K/4KLR-CHD/4KLR-CHD_decoys.pdbqt | data/4K/4KLR-CHD/4KLR-CHD_decoy_scores.csv |
4K3N-1OT | data/4K/4K3N-1OT/4K3N-1OT_ligand.pdbqt | data/4K/4K3N-1OT/4K3N-1OT_target.pdbqt | data/4K/4K3N-1OT/4K3N-1OT_decoys.pdbqt | data/4K/4K3N-1OT/4K3N-1OT_decoy_scores.csv |
4KIL-1R5 | data/4K/4KIL-1R5/4KIL-1R5_ligand.pdbqt | data/4K/4KIL-1R5/4KIL-1R5_target.pdbqt | data/4K/4KIL-1R5/4KIL-1R5_decoys.pdbqt | data/4K/4KIL-1R5/4KIL-1R5_decoy_scores.csv |
4KP5-E1F | data/4K/4KP5-E1F/4KP5-E1F_ligand.pdbqt | data/4K/4KP5-E1F/4KP5-E1F_target.pdbqt | data/4K/4KP5-E1F/4KP5-E1F_decoys.pdbqt | data/4K/4KP5-E1F/4KP5-E1F_decoy_scores.csv |
4K1F-PE8 | data/4K/4K1F-PE8/4K1F-PE8_ligand.pdbqt | data/4K/4K1F-PE8/4K1F-PE8_target.pdbqt | data/4K/4K1F-PE8/4K1F-PE8_decoys.pdbqt | data/4K/4K1F-PE8/4K1F-PE8_decoy_scores.csv |
4KJX-XXH | data/4K/4KJX-XXH/4KJX-XXH_ligand.pdbqt | data/4K/4KJX-XXH/4KJX-XXH_target.pdbqt | data/4K/4KJX-XXH/4KJX-XXH_decoys.pdbqt | data/4K/4KJX-XXH/4KJX-XXH_decoy_scores.csv |
4KQ5-ZOL | data/4K/4KQ5-ZOL/4KQ5-ZOL_ligand.pdbqt | data/4K/4KQ5-ZOL/4KQ5-ZOL_target.pdbqt | data/4K/4KQ5-ZOL/4KQ5-ZOL_decoys.pdbqt | data/4K/4KQ5-ZOL/4KQ5-ZOL_decoy_scores.csv |
4KSH-HTT | data/4K/4KSH-HTT/4KSH-HTT_ligand.pdbqt | data/4K/4KSH-HTT/4KSH-HTT_target.pdbqt | data/4K/4KSH-HTT/4KSH-HTT_decoys.pdbqt | data/4K/4KSH-HTT/4KSH-HTT_decoy_scores.csv |
4KDD-DMU | data/4K/4KDD-DMU/4KDD-DMU_ligand.pdbqt | data/4K/4KDD-DMU/4KDD-DMU_target.pdbqt | data/4K/4KDD-DMU/4KDD-DMU_decoys.pdbqt | data/4K/4KDD-DMU/4KDD-DMU_decoy_scores.csv |
4KKX-F6F | data/4K/4KKX-F6F/4KKX-F6F_ligand.pdbqt | data/4K/4KKX-F6F/4KKX-F6F_target.pdbqt | data/4K/4KKX-F6F/4KKX-F6F_decoys.pdbqt | data/4K/4KKX-F6F/4KKX-F6F_decoy_scores.csv |
4K6W-18D | data/4K/4K6W-18D/4K6W-18D_ligand.pdbqt | data/4K/4K6W-18D/4K6W-18D_target.pdbqt | data/4K/4K6W-18D/4K6W-18D_decoys.pdbqt | data/4K/4K6W-18D/4K6W-18D_decoy_scores.csv |
4KPZ-1SF | data/4K/4KPZ-1SF/4KPZ-1SF_ligand.pdbqt | data/4K/4KPZ-1SF/4KPZ-1SF_target.pdbqt | data/4K/4KPZ-1SF/4KPZ-1SF_decoys.pdbqt | data/4K/4KPZ-1SF/4KPZ-1SF_decoy_scores.csv |
4K13-ETS | data/4K/4K13-ETS/4K13-ETS_ligand.pdbqt | data/4K/4K13-ETS/4K13-ETS_target.pdbqt | data/4K/4K13-ETS/4K13-ETS_decoys.pdbqt | data/4K/4K13-ETS/4K13-ETS_decoy_scores.csv |
4K7A-MXD | data/4K/4K7A-MXD/4K7A-MXD_ligand.pdbqt | data/4K/4K7A-MXD/4K7A-MXD_target.pdbqt | data/4K/4K7A-MXD/4K7A-MXD_decoys.pdbqt | data/4K/4K7A-MXD/4K7A-MXD_decoy_scores.csv |
4KH0-ATP | data/4K/4KH0-ATP/4KH0-ATP_ligand.pdbqt | data/4K/4KH0-ATP/4KH0-ATP_target.pdbqt | data/4K/4KH0-ATP/4KH0-ATP_decoys.pdbqt | data/4K/4KH0-ATP/4KH0-ATP_decoy_scores.csv |
4K77-1Q4 | data/4K/4K77-1Q4/4K77-1Q4_ligand.pdbqt | data/4K/4K77-1Q4/4K77-1Q4_target.pdbqt | data/4K/4K77-1Q4/4K77-1Q4_decoys.pdbqt | data/4K/4K77-1Q4/4K77-1Q4_decoy_scores.csv |
4KH1-PAL | data/4K/4KH1-PAL/4KH1-PAL_ligand.pdbqt | data/4K/4KH1-PAL/4KH1-PAL_target.pdbqt | data/4K/4KH1-PAL/4KH1-PAL_decoys.pdbqt | data/4K/4KH1-PAL/4KH1-PAL_decoy_scores.csv |
4KNL-MUB | data/4K/4KNL-MUB/4KNL-MUB_ligand.pdbqt | data/4K/4KNL-MUB/4KNL-MUB_target.pdbqt | data/4K/4KNL-MUB/4KNL-MUB_decoys.pdbqt | data/4K/4KNL-MUB/4KNL-MUB_decoy_scores.csv |
4KQF-ADE | data/4K/4KQF-ADE/4KQF-ADE_ligand.pdbqt | data/4K/4KQF-ADE/4KQF-ADE_target.pdbqt | data/4K/4KQF-ADE/4KQF-ADE_decoys.pdbqt | data/4K/4KQF-ADE/4KQF-ADE_decoy_scores.csv |
4K5X-THP | data/4K/4K5X-THP/4K5X-THP_ligand.pdbqt | data/4K/4K5X-THP/4K5X-THP_target.pdbqt | data/4K/4K5X-THP/4K5X-THP_decoys.pdbqt | data/4K/4K5X-THP/4K5X-THP_decoy_scores.csv |
4KV6-THP | data/4K/4KV6-THP/4KV6-THP_ligand.pdbqt | data/4K/4KV6-THP/4KV6-THP_target.pdbqt | data/4K/4KV6-THP/4KV6-THP_decoys.pdbqt | data/4K/4KV6-THP/4KV6-THP_decoy_scores.csv |
4K5J-H4B | data/4K/4K5J-H4B/4K5J-H4B_ligand.pdbqt | data/4K/4K5J-H4B/4K5J-H4B_target.pdbqt | null | null |
4KCK-H45 | data/4K/4KCK-H45/4KCK-H45_ligand.pdbqt | data/4K/4KCK-H45/4KCK-H45_target.pdbqt | data/4K/4KCK-H45/4KCK-H45_decoys.pdbqt | data/4K/4KCK-H45/4KCK-H45_decoy_scores.csv |
4KCM-H4B | data/4K/4KCM-H4B/4KCM-H4B_ligand.pdbqt | data/4K/4KCM-H4B/4KCM-H4B_target.pdbqt | data/4K/4KCM-H4B/4KCM-H4B_decoys.pdbqt | data/4K/4KCM-H4B/4KCM-H4B_decoy_scores.csv |
4KIQ-1RA | data/4K/4KIQ-1RA/4KIQ-1RA_ligand.pdbqt | data/4K/4KIQ-1RA/4KIQ-1RA_target.pdbqt | data/4K/4KIQ-1RA/4KIQ-1RA_decoys.pdbqt | data/4K/4KIQ-1RA/4KIQ-1RA_decoy_scores.csv |
4K10-NI9 | data/4K/4K10-NI9/4K10-NI9_ligand.pdbqt | data/4K/4K10-NI9/4K10-NI9_target.pdbqt | data/4K/4K10-NI9/4K10-NI9_decoys.pdbqt | data/4K/4K10-NI9/4K10-NI9_decoy_scores.csv |
4KCU-FDP | data/4K/4KCU-FDP/4KCU-FDP_ligand.pdbqt | data/4K/4KCU-FDP/4KCU-FDP_target.pdbqt | data/4K/4KCU-FDP/4KCU-FDP_decoys.pdbqt | data/4K/4KCU-FDP/4KCU-FDP_decoy_scores.csv |
4KCG-1QC | data/4K/4KCG-1QC/4KCG-1QC_ligand.pdbqt | data/4K/4KCG-1QC/4KCG-1QC_target.pdbqt | data/4K/4KCG-1QC/4KCG-1QC_decoys.pdbqt | data/4K/4KCG-1QC/4KCG-1QC_decoy_scores.csv |
4KZ4-4A1 | data/4K/4KZ4-4A1/4KZ4-4A1_ligand.pdbqt | data/4K/4KZ4-4A1/4KZ4-4A1_target.pdbqt | data/4K/4KZ4-4A1/4KZ4-4A1_decoys.pdbqt | data/4K/4KZ4-4A1/4KZ4-4A1_decoy_scores.csv |
4KOU-C04 | data/4K/4KOU-C04/4KOU-C04_ligand.pdbqt | data/4K/4KOU-C04/4KOU-C04_target.pdbqt | data/4K/4KOU-C04/4KOU-C04_decoys.pdbqt | data/4K/4KOU-C04/4KOU-C04_decoy_scores.csv |
4K84-1PX | data/4K/4K84-1PX/4K84-1PX_ligand.pdbqt | data/4K/4K84-1PX/4K84-1PX_target.pdbqt | data/4K/4K84-1PX/4K84-1PX_decoys.pdbqt | data/4K/4K84-1PX/4K84-1PX_decoy_scores.csv |
4KQS-RIS | data/4K/4KQS-RIS/4KQS-RIS_ligand.pdbqt | data/4K/4KQS-RIS/4KQS-RIS_target.pdbqt | data/4K/4KQS-RIS/4KQS-RIS_decoys.pdbqt | data/4K/4KQS-RIS/4KQS-RIS_decoy_scores.csv |
4KBS-PX2 | data/4K/4KBS-PX2/4KBS-PX2_ligand.pdbqt | data/4K/4KBS-PX2/4KBS-PX2_target.pdbqt | data/4K/4KBS-PX2/4KBS-PX2_decoys.pdbqt | data/4K/4KBS-PX2/4KBS-PX2_decoy_scores.csv |
4KCX-1QK | data/4K/4KCX-1QK/4KCX-1QK_ligand.pdbqt | data/4K/4KCX-1QK/4KCX-1QK_target.pdbqt | data/4K/4KCX-1QK/4KCX-1QK_decoys.pdbqt | data/4K/4KCX-1QK/4KCX-1QK_decoy_scores.csv |
4KCQ-H4B | data/4K/4KCQ-H4B/4KCQ-H4B_ligand.pdbqt | data/4K/4KCQ-H4B/4KCQ-H4B_target.pdbqt | null | null |
4KCO-H4B | data/4K/4KCO-H4B/4KCO-H4B_ligand.pdbqt | data/4K/4KCO-H4B/4KCO-H4B_target.pdbqt | data/4K/4KCO-H4B/4KCO-H4B_decoys.pdbqt | data/4K/4KCO-H4B/4KCO-H4B_decoy_scores.csv |
4KQR-VPP | data/4K/4KQR-VPP/4KQR-VPP_ligand.pdbqt | data/4K/4KQR-VPP/4KQR-VPP_target.pdbqt | data/4K/4KQR-VPP/4KQR-VPP_decoys.pdbqt | data/4K/4KQR-VPP/4KQR-VPP_decoy_scores.csv |
4KFS-AMP | data/4K/4KFS-AMP/4KFS-AMP_ligand.pdbqt | data/4K/4KFS-AMP/4KFS-AMP_target.pdbqt | data/4K/4KFS-AMP/4KFS-AMP_decoys.pdbqt | data/4K/4KFS-AMP/4KFS-AMP_decoy_scores.csv |
4KXM-6IA | data/4K/4KXM-6IA/4KXM-6IA_ligand.pdbqt | data/4K/4KXM-6IA/4KXM-6IA_target.pdbqt | data/4K/4KXM-6IA/4KXM-6IA_decoys.pdbqt | data/4K/4KXM-6IA/4KXM-6IA_decoy_scores.csv |
4KJN-THP | data/4K/4KJN-THP/4KJN-THP_ligand.pdbqt | data/4K/4KJN-THP/4KJN-THP_target.pdbqt | data/4K/4KJN-THP/4KJN-THP_decoys.pdbqt | data/4K/4KJN-THP/4KJN-THP_decoy_scores.csv |
4K1W-CS2 | data/4K/4K1W-CS2/4K1W-CS2_ligand.pdbqt | data/4K/4K1W-CS2/4K1W-CS2_target.pdbqt | data/4K/4K1W-CS2/4K1W-CS2_decoys.pdbqt | data/4K/4K1W-CS2/4K1W-CS2_decoy_scores.csv |
4KAN-DZY | data/4K/4KAN-DZY/4KAN-DZY_ligand.pdbqt | data/4K/4KAN-DZY/4KAN-DZY_target.pdbqt | data/4K/4KAN-DZY/4KAN-DZY_decoys.pdbqt | data/4K/4KAN-DZY/4KAN-DZY_decoy_scores.csv |
4KTK-KTK | data/4K/4KTK-KTK/4KTK-KTK_ligand.pdbqt | data/4K/4KTK-KTK/4KTK-KTK_target.pdbqt | data/4K/4KTK-KTK/4KTK-KTK_decoys.pdbqt | data/4K/4KTK-KTK/4KTK-KTK_decoy_scores.csv |
4K2I-PMP | data/4K/4K2I-PMP/4K2I-PMP_ligand.pdbqt | data/4K/4K2I-PMP/4K2I-PMP_target.pdbqt | data/4K/4K2I-PMP/4K2I-PMP_decoys.pdbqt | data/4K/4K2I-PMP/4K2I-PMP_decoy_scores.csv |
4K1L-SFF | data/4K/4K1L-SFF/4K1L-SFF_ligand.pdbqt | data/4K/4K1L-SFF/4K1L-SFF_target.pdbqt | data/4K/4K1L-SFF/4K1L-SFF_decoys.pdbqt | data/4K/4K1L-SFF/4K1L-SFF_decoy_scores.csv |
4KTL-1CQ | data/4K/4KTL-1CQ/4KTL-1CQ_ligand.pdbqt | data/4K/4KTL-1CQ/4KTL-1CQ_target.pdbqt | data/4K/4KTL-1CQ/4KTL-1CQ_decoys.pdbqt | data/4K/4KTL-1CQ/4KTL-1CQ_decoy_scores.csv |
4K9Y-K9Y | data/4K/4K9Y-K9Y/4K9Y-K9Y_ligand.pdbqt | data/4K/4K9Y-K9Y/4K9Y-K9Y_target.pdbqt | data/4K/4K9Y-K9Y/4K9Y-K9Y_decoys.pdbqt | data/4K/4K9Y-K9Y/4K9Y-K9Y_decoy_scores.csv |
4KN3-T6C | data/4K/4KN3-T6C/4KN3-T6C_ligand.pdbqt | data/4K/4KN3-T6C/4KN3-T6C_target.pdbqt | data/4K/4KN3-T6C/4KN3-T6C_decoys.pdbqt | data/4K/4KN3-T6C/4KN3-T6C_decoy_scores.csv |
4KNN-E1F | data/4K/4KNN-E1F/4KNN-E1F_ligand.pdbqt | data/4K/4KNN-E1F/4KNN-E1F_target.pdbqt | data/4K/4KNN-E1F/4KNN-E1F_decoys.pdbqt | data/4K/4KNN-E1F/4KNN-E1F_decoy_scores.csv |
4KVK-DMU | data/4K/4KVK-DMU/4KVK-DMU_ligand.pdbqt | data/4K/4KVK-DMU/4KVK-DMU_target.pdbqt | data/4K/4KVK-DMU/4KVK-DMU_decoys.pdbqt | data/4K/4KVK-DMU/4KVK-DMU_decoy_scores.csv |
4KXL-6C6 | data/4K/4KXL-6C6/4KXL-6C6_ligand.pdbqt | data/4K/4KXL-6C6/4KXL-6C6_target.pdbqt | data/4K/4KXL-6C6/4KXL-6C6_decoys.pdbqt | data/4K/4KXL-6C6/4KXL-6C6_decoy_scores.csv |
4KUY-MB4 | data/4K/4KUY-MB4/4KUY-MB4_ligand.pdbqt | data/4K/4KUY-MB4/4KUY-MB4_target.pdbqt | data/4K/4KUY-MB4/4KUY-MB4_decoys.pdbqt | data/4K/4KUY-MB4/4KUY-MB4_decoy_scores.csv |
4KVA-GTP | data/4K/4KVA-GTP/4KVA-GTP_ligand.pdbqt | data/4K/4KVA-GTP/4KVA-GTP_target.pdbqt | data/4K/4KVA-GTP/4KVA-GTP_decoys.pdbqt | data/4K/4KVA-GTP/4KVA-GTP_decoy_scores.csv |
4KC1-WS1 | data/4K/4KC1-WS1/4KC1-WS1_ligand.pdbqt | data/4K/4KC1-WS1/4KC1-WS1_target.pdbqt | data/4K/4KC1-WS1/4KC1-WS1_decoys.pdbqt | data/4K/4KC1-WS1/4KC1-WS1_decoy_scores.csv |
4KBZ-1QA | data/4K/4KBZ-1QA/4KBZ-1QA_ligand.pdbqt | data/4K/4KBZ-1QA/4KBZ-1QA_target.pdbqt | data/4K/4KBZ-1QA/4KBZ-1QA_decoys.pdbqt | data/4K/4KBZ-1QA/4KBZ-1QA_decoy_scores.csv |
4K2Y-ES2 | data/4K/4K2Y-ES2/4K2Y-ES2_ligand.pdbqt | data/4K/4K2Y-ES2/4K2Y-ES2_target.pdbqt | data/4K/4K2Y-ES2/4K2Y-ES2_decoys.pdbqt | data/4K/4K2Y-ES2/4K2Y-ES2_decoy_scores.csv |
4KAN-ADN | data/4K/4KAN-ADN/4KAN-ADN_ligand.pdbqt | data/4K/4KAN-ADN/4KAN-ADN_target.pdbqt | data/4K/4KAN-ADN/4KAN-ADN_decoys.pdbqt | data/4K/4KAN-ADN/4KAN-ADN_decoy_scores.csv |
4K4J-1O8 | data/4K/4K4J-1O8/4K4J-1O8_ligand.pdbqt | data/4K/4K4J-1O8/4K4J-1O8_target.pdbqt | data/4K/4K4J-1O8/4K4J-1O8_decoys.pdbqt | data/4K/4K4J-1O8/4K4J-1O8_decoy_scores.csv |
4KM2-ATR | data/4K/4KM2-ATR/4KM2-ATR_ligand.pdbqt | data/4K/4KM2-ATR/4KM2-ATR_target.pdbqt | data/4K/4KM2-ATR/4KM2-ATR_decoys.pdbqt | data/4K/4KM2-ATR/4KM2-ATR_decoy_scores.csv |
4K5E-H4B | data/4K/4K5E-H4B/4K5E-H4B_ligand.pdbqt | data/4K/4K5E-H4B/4K5E-H4B_target.pdbqt | data/4K/4K5E-H4B/4K5E-H4B_decoys.pdbqt | data/4K/4K5E-H4B/4K5E-H4B_decoy_scores.csv |
4K38-SAM | data/4K/4K38-SAM/4K38-SAM_ligand.pdbqt | data/4K/4K38-SAM/4K38-SAM_target.pdbqt | data/4K/4K38-SAM/4K38-SAM_decoys.pdbqt | data/4K/4K38-SAM/4K38-SAM_decoy_scores.csv |
4KH0-PAL | data/4K/4KH0-PAL/4KH0-PAL_ligand.pdbqt | data/4K/4KH0-PAL/4KH0-PAL_target.pdbqt | data/4K/4KH0-PAL/4KH0-PAL_decoys.pdbqt | data/4K/4KH0-PAL/4KH0-PAL_decoy_scores.csv |
4K5H-1Q6 | data/4K/4K5H-1Q6/4K5H-1Q6_ligand.pdbqt | data/4K/4K5H-1Q6/4K5H-1Q6_target.pdbqt | null | null |
4KKH-1RQ | data/4K/4KKH-1RQ/4KKH-1RQ_ligand.pdbqt | data/4K/4KKH-1RQ/4KKH-1RQ_target.pdbqt | data/4K/4KKH-1RQ/4KKH-1RQ_decoys.pdbqt | data/4K/4KKH-1RQ/4KKH-1RQ_decoy_scores.csv |
4KWO-1UD | data/4K/4KWO-1UD/4KWO-1UD_ligand.pdbqt | data/4K/4KWO-1UD/4KWO-1UD_target.pdbqt | data/4K/4KWO-1UD/4KWO-1UD_decoys.pdbqt | data/4K/4KWO-1UD/4KWO-1UD_decoy_scores.csv |
4KJX-DAO | data/4K/4KJX-DAO/4KJX-DAO_ligand.pdbqt | data/4K/4KJX-DAO/4KJX-DAO_target.pdbqt | data/4K/4KJX-DAO/4KJX-DAO_decoys.pdbqt | data/4K/4KJX-DAO/4KJX-DAO_decoy_scores.csv |
4KCS-H4B | data/4K/4KCS-H4B/4KCS-H4B_ligand.pdbqt | data/4K/4KCS-H4B/4KCS-H4B_target.pdbqt | null | null |
4KE9-1R1 | data/4K/4KE9-1R1/4KE9-1R1_ligand.pdbqt | data/4K/4KE9-1R1/4KE9-1R1_target.pdbqt | data/4K/4KE9-1R1/4KE9-1R1_decoys.pdbqt | data/4K/4KE9-1R1/4KE9-1R1_decoy_scores.csv |
4KG5-CEF | data/4K/4KG5-CEF/4KG5-CEF_ligand.pdbqt | data/4K/4KG5-CEF/4KG5-CEF_target.pdbqt | data/4K/4KG5-CEF/4KG5-CEF_decoys.pdbqt | data/4K/4KG5-CEF/4KG5-CEF_decoy_scores.csv |
4K8P-12M | data/4K/4K8P-12M/4K8P-12M_ligand.pdbqt | data/4K/4K8P-12M/4K8P-12M_target.pdbqt | data/4K/4K8P-12M/4K8P-12M_decoys.pdbqt | data/4K/4K8P-12M/4K8P-12M_decoy_scores.csv |
4KQS-IPE | data/4K/4KQS-IPE/4KQS-IPE_ligand.pdbqt | data/4K/4KQS-IPE/4KQS-IPE_target.pdbqt | data/4K/4KQS-IPE/4KQS-IPE_decoys.pdbqt | data/4K/4KQS-IPE/4KQS-IPE_decoy_scores.csv |
4K5G-Q13 | data/4K/4K5G-Q13/4K5G-Q13_ligand.pdbqt | data/4K/4K5G-Q13/4K5G-Q13_target.pdbqt | data/4K/4K5G-Q13/4K5G-Q13_decoys.pdbqt | data/4K/4K5G-Q13/4K5G-Q13_decoy_scores.csv |
4KU5-DAO | data/4K/4KU5-DAO/4KU5-DAO_ligand.pdbqt | data/4K/4KU5-DAO/4KU5-DAO_target.pdbqt | data/4K/4KU5-DAO/4KU5-DAO_decoys.pdbqt | data/4K/4KU5-DAO/4KU5-DAO_decoy_scores.csv |
4KGV-PAL | data/4K/4KGV-PAL/4KGV-PAL_ligand.pdbqt | data/4K/4KGV-PAL/4KGV-PAL_target.pdbqt | data/4K/4KGV-PAL/4KGV-PAL_decoys.pdbqt | data/4K/4KGV-PAL/4KGV-PAL_decoy_scores.csv |
4KQU-IPE | data/4K/4KQU-IPE/4KQU-IPE_ligand.pdbqt | data/4K/4KQU-IPE/4KQU-IPE_target.pdbqt | data/4K/4KQU-IPE/4KQU-IPE_decoys.pdbqt | data/4K/4KQU-IPE/4KQU-IPE_decoy_scores.csv |
4KQO-JPP | data/4K/4KQO-JPP/4KQO-JPP_ligand.pdbqt | data/4K/4KQO-JPP/4KQO-JPP_target.pdbqt | data/4K/4KQO-JPP/4KQO-JPP_decoys.pdbqt | data/4K/4KQO-JPP/4KQO-JPP_decoy_scores.csv |
4K8C-ADN | data/4K/4K8C-ADN/4K8C-ADN_ligand.pdbqt | data/4K/4K8C-ADN/4K8C-ADN_target.pdbqt | data/4K/4K8C-ADN/4K8C-ADN_decoys.pdbqt | data/4K/4K8C-ADN/4K8C-ADN_decoy_scores.csv |
4K9I-ADN | data/4K/4K9I-ADN/4K9I-ADN_ligand.pdbqt | data/4K/4K9I-ADN/4K9I-ADN_target.pdbqt | data/4K/4K9I-ADN/4K9I-ADN_decoys.pdbqt | data/4K/4K9I-ADN/4K9I-ADN_decoy_scores.csv |
4KS7-7KC | data/4K/4KS7-7KC/4KS7-7KC_ligand.pdbqt | data/4K/4KS7-7KC/4KS7-7KC_target.pdbqt | data/4K/4KS7-7KC/4KS7-7KC_decoys.pdbqt | data/4K/4KS7-7KC/4KS7-7KC_decoy_scores.csv |
4KCW-FDP | data/4K/4KCW-FDP/4KCW-FDP_ligand.pdbqt | data/4K/4KCW-FDP/4KCW-FDP_target.pdbqt | data/4K/4KCW-FDP/4KCW-FDP_decoys.pdbqt | data/4K/4KCW-FDP/4KCW-FDP_decoy_scores.csv |
4K9C-C29 | data/4K/4K9C-C29/4K9C-C29_ligand.pdbqt | data/4K/4K9C-C29/4K9C-C29_target.pdbqt | data/4K/4K9C-C29/4K9C-C29_decoys.pdbqt | data/4K/4K9C-C29/4K9C-C29_decoy_scores.csv |
4K8P-ADN | data/4K/4K8P-ADN/4K8P-ADN_ligand.pdbqt | data/4K/4K8P-ADN/4K8P-ADN_target.pdbqt | data/4K/4K8P-ADN/4K8P-ADN_decoys.pdbqt | data/4K/4K8P-ADN/4K8P-ADN_decoy_scores.csv |
4KZ8-1U6 | data/4K/4KZ8-1U6/4KZ8-1U6_ligand.pdbqt | data/4K/4KZ8-1U6/4KZ8-1U6_target.pdbqt | data/4K/4KZ8-1U6/4KZ8-1U6_decoys.pdbqt | data/4K/4KZ8-1U6/4KZ8-1U6_decoy_scores.csv |
4K4R-27B | data/4K/4K4R-27B/4K4R-27B_ligand.pdbqt | data/4K/4K4R-27B/4K4R-27B_target.pdbqt | data/4K/4K4R-27B/4K4R-27B_decoys.pdbqt | data/4K/4K4R-27B/4K4R-27B_decoy_scores.csv |
4KLV-KLV | data/4K/4KLV-KLV/4KLV-KLV_ligand.pdbqt | data/4K/4KLV-KLV/4KLV-KLV_target.pdbqt | data/4K/4KLV-KLV/4KLV-KLV_decoys.pdbqt | data/4K/4KLV-KLV/4KLV-KLV_decoy_scores.csv |
4K8K-1PK | data/4K/4K8K-1PK/4K8K-1PK_ligand.pdbqt | data/4K/4K8K-1PK/4K8K-1PK_target.pdbqt | data/4K/4K8K-1PK/4K8K-1PK_decoys.pdbqt | data/4K/4K8K-1PK/4K8K-1PK_decoy_scores.csv |
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