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 ⌀ |
|---|---|---|---|---|
3KAQ-FMN | data/3K/3KAQ-FMN/3KAQ-FMN_ligand.pdbqt | data/3K/3KAQ-FMN/3KAQ-FMN_target.pdbqt | data/3K/3KAQ-FMN/3KAQ-FMN_decoys.pdbqt | data/3K/3KAQ-FMN/3KAQ-FMN_decoy_scores.csv |
3KFA-B91 | data/3K/3KFA-B91/3KFA-B91_ligand.pdbqt | data/3K/3KFA-B91/3KFA-B91_target.pdbqt | data/3K/3KFA-B91/3KFA-B91_decoys.pdbqt | data/3K/3KFA-B91/3KFA-B91_decoy_scores.csv |
3KYQ-DPV | data/3K/3KYQ-DPV/3KYQ-DPV_ligand.pdbqt | data/3K/3KYQ-DPV/3KYQ-DPV_target.pdbqt | data/3K/3KYQ-DPV/3KYQ-DPV_decoys.pdbqt | data/3K/3KYQ-DPV/3KYQ-DPV_decoy_scores.csv |
3KAG-12P | data/3K/3KAG-12P/3KAG-12P_ligand.pdbqt | data/3K/3KAG-12P/3KAG-12P_target.pdbqt | data/3K/3KAG-12P/3KAG-12P_decoys.pdbqt | data/3K/3KAG-12P/3KAG-12P_decoy_scores.csv |
3K7M-GP7 | data/3K/3K7M-GP7/3K7M-GP7_ligand.pdbqt | data/3K/3K7M-GP7/3K7M-GP7_target.pdbqt | data/3K/3K7M-GP7/3K7M-GP7_decoys.pdbqt | data/3K/3K7M-GP7/3K7M-GP7_decoy_scores.csv |
3K4L-SHG | data/3K/3K4L-SHG/3K4L-SHG_ligand.pdbqt | data/3K/3K4L-SHG/3K4L-SHG_target.pdbqt | data/3K/3K4L-SHG/3K4L-SHG_decoys.pdbqt | data/3K/3K4L-SHG/3K4L-SHG_decoy_scores.csv |
3KPX-CZH | data/3K/3KPX-CZH/3KPX-CZH_ligand.pdbqt | data/3K/3KPX-CZH/3KPX-CZH_target.pdbqt | data/3K/3KPX-CZH/3KPX-CZH_decoys.pdbqt | data/3K/3KPX-CZH/3KPX-CZH_decoy_scores.csv |
3KU0-ADE | data/3K/3KU0-ADE/3KU0-ADE_ligand.pdbqt | data/3K/3KU0-ADE/3KU0-ADE_target.pdbqt | data/3K/3KU0-ADE/3KU0-ADE_decoys.pdbqt | data/3K/3KU0-ADE/3KU0-ADE_decoy_scores.csv |
3K3I-I46 | data/3K/3K3I-I46/3K3I-I46_ligand.pdbqt | data/3K/3K3I-I46/3K3I-I46_target.pdbqt | data/3K/3K3I-I46/3K3I-I46_decoys.pdbqt | data/3K/3K3I-I46/3K3I-I46_decoy_scores.csv |
3KAG-4D7 | data/3K/3KAG-4D7/3KAG-4D7_ligand.pdbqt | data/3K/3KAG-4D7/3KAG-4D7_target.pdbqt | data/3K/3KAG-4D7/3KAG-4D7_decoys.pdbqt | data/3K/3KAG-4D7/3KAG-4D7_decoy_scores.csv |
3KR4-BES | data/3K/3KR4-BES/3KR4-BES_ligand.pdbqt | data/3K/3KR4-BES/3KR4-BES_target.pdbqt | data/3K/3KR4-BES/3KR4-BES_decoys.pdbqt | data/3K/3KR4-BES/3KR4-BES_decoy_scores.csv |
3KB3-A8S | data/3K/3KB3-A8S/3KB3-A8S_ligand.pdbqt | data/3K/3KB3-A8S/3KB3-A8S_target.pdbqt | data/3K/3KB3-A8S/3KB3-A8S_decoys.pdbqt | data/3K/3KB3-A8S/3KB3-A8S_decoy_scores.csv |
3KNE-DAW | data/3K/3KNE-DAW/3KNE-DAW_ligand.pdbqt | data/3K/3KNE-DAW/3KNE-DAW_target.pdbqt | data/3K/3KNE-DAW/3KNE-DAW_decoys.pdbqt | data/3K/3KNE-DAW/3KNE-DAW_decoy_scores.csv |
3KRO-DST | data/3K/3KRO-DST/3KRO-DST_ligand.pdbqt | data/3K/3KRO-DST/3KRO-DST_target.pdbqt | data/3K/3KRO-DST/3KRO-DST_decoys.pdbqt | data/3K/3KRO-DST/3KRO-DST_decoy_scores.csv |
3KFT-FMN | data/3K/3KFT-FMN/3KFT-FMN_ligand.pdbqt | data/3K/3KFT-FMN/3KFT-FMN_target.pdbqt | data/3K/3KFT-FMN/3KFT-FMN_decoys.pdbqt | data/3K/3KFT-FMN/3KFT-FMN_decoy_scores.csv |
3KH5-AMP | data/3K/3KH5-AMP/3KH5-AMP_ligand.pdbqt | data/3K/3KH5-AMP/3KH5-AMP_target.pdbqt | data/3K/3KH5-AMP/3KH5-AMP_decoys.pdbqt | data/3K/3KH5-AMP/3KH5-AMP_decoy_scores.csv |
3KI7-G9I | data/3K/3KI7-G9I/3KI7-G9I_ligand.pdbqt | data/3K/3KI7-G9I/3KI7-G9I_target.pdbqt | data/3K/3KI7-G9I/3KI7-G9I_decoys.pdbqt | data/3K/3KI7-G9I/3KI7-G9I_decoy_scores.csv |
3KU2-ANP | data/3K/3KU2-ANP/3KU2-ANP_ligand.pdbqt | data/3K/3KU2-ANP/3KU2-ANP_target.pdbqt | data/3K/3KU2-ANP/3KU2-ANP_decoys.pdbqt | data/3K/3KU2-ANP/3KU2-ANP_decoy_scores.csv |
3KBO-NDB | data/3K/3KBO-NDB/3KBO-NDB_ligand.pdbqt | data/3K/3KBO-NDB/3KBO-NDB_target.pdbqt | data/3K/3KBO-NDB/3KBO-NDB_decoys.pdbqt | data/3K/3KBO-NDB/3KBO-NDB_decoy_scores.csv |
3K5V-STJ | data/3K/3K5V-STJ/3K5V-STJ_ligand.pdbqt | data/3K/3K5V-STJ/3K5V-STJ_target.pdbqt | data/3K/3K5V-STJ/3K5V-STJ_decoys.pdbqt | data/3K/3K5V-STJ/3K5V-STJ_decoy_scores.csv |
3KFJ-YEN | data/3K/3KFJ-YEN/3KFJ-YEN_ligand.pdbqt | data/3K/3KFJ-YEN/3KFJ-YEN_target.pdbqt | data/3K/3KFJ-YEN/3KFJ-YEN_decoys.pdbqt | data/3K/3KFJ-YEN/3KFJ-YEN_decoy_scores.csv |
3KVJ-DOR | data/3K/3KVJ-DOR/3KVJ-DOR_ligand.pdbqt | data/3K/3KVJ-DOR/3KVJ-DOR_target.pdbqt | data/3K/3KVJ-DOR/3KVJ-DOR_decoys.pdbqt | data/3K/3KVJ-DOR/3KVJ-DOR_decoy_scores.csv |
3KCK-3KC | data/3K/3KCK-3KC/3KCK-3KC_ligand.pdbqt | data/3K/3KCK-3KC/3KCK-3KC_target.pdbqt | data/3K/3KCK-3KC/3KCK-3KC_decoys.pdbqt | data/3K/3KCK-3KC/3KCK-3KC_decoy_scores.csv |
3K8T-DGT | data/3K/3K8T-DGT/3K8T-DGT_ligand.pdbqt | data/3K/3K8T-DGT/3K8T-DGT_target.pdbqt | data/3K/3K8T-DGT/3K8T-DGT_decoys.pdbqt | data/3K/3K8T-DGT/3K8T-DGT_decoy_scores.csv |
3K1J-ADP | data/3K/3K1J-ADP/3K1J-ADP_ligand.pdbqt | data/3K/3K1J-ADP/3K1J-ADP_target.pdbqt | data/3K/3K1J-ADP/3K1J-ADP_decoys.pdbqt | data/3K/3K1J-ADP/3K1J-ADP_decoy_scores.csv |
3K7S-R52 | data/3K/3K7S-R52/3K7S-R52_ligand.pdbqt | data/3K/3K7S-R52/3K7S-R52_target.pdbqt | data/3K/3K7S-R52/3K7S-R52_decoys.pdbqt | data/3K/3K7S-R52/3K7S-R52_decoy_scores.csv |
3K5U-PFQ | data/3K/3K5U-PFQ/3K5U-PFQ_ligand.pdbqt | data/3K/3K5U-PFQ/3K5U-PFQ_target.pdbqt | data/3K/3K5U-PFQ/3K5U-PFQ_decoys.pdbqt | data/3K/3K5U-PFQ/3K5U-PFQ_decoy_scores.csv |
3KV2-NNH | data/3K/3KV2-NNH/3KV2-NNH_ligand.pdbqt | data/3K/3KV2-NNH/3KV2-NNH_target.pdbqt | data/3K/3KV2-NNH/3KV2-NNH_decoys.pdbqt | data/3K/3KV2-NNH/3KV2-NNH_decoy_scores.csv |
3KVL-DOR | data/3K/3KVL-DOR/3KVL-DOR_ligand.pdbqt | data/3K/3KVL-DOR/3KVL-DOR_target.pdbqt | data/3K/3KVL-DOR/3KVL-DOR_decoys.pdbqt | data/3K/3KVL-DOR/3KVL-DOR_decoy_scores.csv |
3KOX-5AD | data/3K/3KOX-5AD/3KOX-5AD_ligand.pdbqt | data/3K/3KOX-5AD/3KOX-5AD_target.pdbqt | data/3K/3KOX-5AD/3KOX-5AD_decoys.pdbqt | data/3K/3KOX-5AD/3KOX-5AD_decoy_scores.csv |
3K42-1GP | data/3K/3K42-1GP/3K42-1GP_ligand.pdbqt | data/3K/3K42-1GP/3K42-1GP_target.pdbqt | data/3K/3K42-1GP/3K42-1GP_decoys.pdbqt | data/3K/3K42-1GP/3K42-1GP_decoy_scores.csv |
3KB9-BTM | data/3K/3KB9-BTM/3KB9-BTM_ligand.pdbqt | data/3K/3KB9-BTM/3KB9-BTM_target.pdbqt | data/3K/3KB9-BTM/3KB9-BTM_decoys.pdbqt | data/3K/3KB9-BTM/3KB9-BTM_decoy_scores.csv |
3KPW-1SQ | data/3K/3KPW-1SQ/3KPW-1SQ_ligand.pdbqt | data/3K/3KPW-1SQ/3KPW-1SQ_target.pdbqt | data/3K/3KPW-1SQ/3KPW-1SQ_decoys.pdbqt | data/3K/3KPW-1SQ/3KPW-1SQ_decoy_scores.csv |
3KEO-NAD | data/3K/3KEO-NAD/3KEO-NAD_ligand.pdbqt | data/3K/3KEO-NAD/3KEO-NAD_target.pdbqt | data/3K/3KEO-NAD/3KEO-NAD_decoys.pdbqt | data/3K/3KEO-NAD/3KEO-NAD_decoy_scores.csv |
3KEU-ATP | data/3K/3KEU-ATP/3KEU-ATP_ligand.pdbqt | data/3K/3KEU-ATP/3KEU-ATP_target.pdbqt | data/3K/3KEU-ATP/3KEU-ATP_decoys.pdbqt | data/3K/3KEU-ATP/3KEU-ATP_decoy_scores.csv |
3KRZ-FMN | data/3K/3KRZ-FMN/3KRZ-FMN_ligand.pdbqt | data/3K/3KRZ-FMN/3KRZ-FMN_target.pdbqt | data/3K/3KRZ-FMN/3KRZ-FMN_decoys.pdbqt | data/3K/3KRZ-FMN/3KRZ-FMN_decoy_scores.csv |
3KVK-DET | data/3K/3KVK-DET/3KVK-DET_ligand.pdbqt | data/3K/3KVK-DET/3KVK-DET_target.pdbqt | data/3K/3KVK-DET/3KVK-DET_decoys.pdbqt | data/3K/3KVK-DET/3KVK-DET_decoy_scores.csv |
3KX1-KX1 | data/3K/3KX1-KX1/3KX1-KX1_ligand.pdbqt | data/3K/3KX1-KX1/3KX1-KX1_target.pdbqt | data/3K/3KX1-KX1/3KX1-KX1_decoys.pdbqt | data/3K/3KX1-KX1/3KX1-KX1_decoy_scores.csv |
3KVS-BLA | data/3K/3KVS-BLA/3KVS-BLA_ligand.pdbqt | data/3K/3KVS-BLA/3KVS-BLA_target.pdbqt | data/3K/3KVS-BLA/3KVS-BLA_decoys.pdbqt | data/3K/3KVS-BLA/3KVS-BLA_decoy_scores.csv |
3KQQ-SAH | data/3K/3KQQ-SAH/3KQQ-SAH_ligand.pdbqt | data/3K/3KQQ-SAH/3KQQ-SAH_target.pdbqt | data/3K/3KQQ-SAH/3KQQ-SAH_decoys.pdbqt | data/3K/3KQQ-SAH/3KQQ-SAH_decoy_scores.csv |
3KJS-DQ1 | data/3K/3KJS-DQ1/3KJS-DQ1_ligand.pdbqt | data/3K/3KJS-DQ1/3KJS-DQ1_target.pdbqt | data/3K/3KJS-DQ1/3KJS-DQ1_decoys.pdbqt | data/3K/3KJS-DQ1/3KJS-DQ1_decoy_scores.csv |
3KVZ-ENV | data/3K/3KVZ-ENV/3KVZ-ENV_ligand.pdbqt | data/3K/3KVZ-ENV/3KVZ-ENV_target.pdbqt | data/3K/3KVZ-ENV/3KVZ-ENV_decoys.pdbqt | data/3K/3KVZ-ENV/3KVZ-ENV_decoy_scores.csv |
3KB7-071 | data/3K/3KB7-071/3KB7-071_ligand.pdbqt | data/3K/3KB7-071/3KB7-071_target.pdbqt | data/3K/3KB7-071/3KB7-071_decoys.pdbqt | data/3K/3KB7-071/3KB7-071_decoy_scores.csv |
3KBA-WOW | data/3K/3KBA-WOW/3KBA-WOW_ligand.pdbqt | data/3K/3KBA-WOW/3KBA-WOW_target.pdbqt | data/3K/3KBA-WOW/3KBA-WOW_decoys.pdbqt | data/3K/3KBA-WOW/3KBA-WOW_decoy_scores.csv |
3KEI-GLU | data/3K/3KEI-GLU/3KEI-GLU_ligand.pdbqt | data/3K/3KEI-GLU/3KEI-GLU_target.pdbqt | data/3K/3KEI-GLU/3KEI-GLU_decoys.pdbqt | data/3K/3KEI-GLU/3KEI-GLU_decoy_scores.csv |
3ERT-OHT | data/3E/3ERT-OHT/3ERT-OHT_ligand.pdbqt | data/3E/3ERT-OHT/3ERT-OHT_target.pdbqt | data/3E/3ERT-OHT/3ERT-OHT_decoys.pdbqt | data/3E/3ERT-OHT/3ERT-OHT_decoy_scores.csv |
3EUA-FLC | data/3E/3EUA-FLC/3EUA-FLC_ligand.pdbqt | data/3E/3EUA-FLC/3EUA-FLC_target.pdbqt | data/3E/3EUA-FLC/3EUA-FLC_decoys.pdbqt | data/3E/3EUA-FLC/3EUA-FLC_decoy_scores.csv |
3EEL-53T | data/3E/3EEL-53T/3EEL-53T_ligand.pdbqt | data/3E/3EEL-53T/3EEL-53T_target.pdbqt | data/3E/3EEL-53T/3EEL-53T_decoys.pdbqt | data/3E/3EEL-53T/3EEL-53T_decoy_scores.csv |
3E6T-H4B | data/3E/3E6T-H4B/3E6T-H4B_ligand.pdbqt | data/3E/3E6T-H4B/3E6T-H4B_target.pdbqt | data/3E/3E6T-H4B/3E6T-H4B_decoys.pdbqt | data/3E/3E6T-H4B/3E6T-H4B_decoy_scores.csv |
3EKP-478 | data/3E/3EKP-478/3EKP-478_ligand.pdbqt | data/3E/3EKP-478/3EKP-478_target.pdbqt | data/3E/3EKP-478/3EKP-478_decoys.pdbqt | data/3E/3EKP-478/3EKP-478_decoy_scores.csv |
3E92-G6A | data/3E/3E92-G6A/3E92-G6A_ligand.pdbqt | data/3E/3E92-G6A/3E92-G6A_target.pdbqt | data/3E/3E92-G6A/3E92-G6A_decoys.pdbqt | data/3E/3E92-G6A/3E92-G6A_decoy_scores.csv |
3ET1-ET1 | data/3E/3ET1-ET1/3ET1-ET1_ligand.pdbqt | data/3E/3ET1-ET1/3ET1-ET1_target.pdbqt | data/3E/3ET1-ET1/3ET1-ET1_decoys.pdbqt | data/3E/3ET1-ET1/3ET1-ET1_decoy_scores.csv |
3EHW-DUP | data/3E/3EHW-DUP/3EHW-DUP_ligand.pdbqt | data/3E/3EHW-DUP/3EHW-DUP_target.pdbqt | data/3E/3EHW-DUP/3EHW-DUP_decoys.pdbqt | data/3E/3EHW-DUP/3EHW-DUP_decoy_scores.csv |
3EMT-DGI | data/3E/3EMT-DGI/3EMT-DGI_ligand.pdbqt | data/3E/3EMT-DGI/3EMT-DGI_target.pdbqt | data/3E/3EMT-DGI/3EMT-DGI_decoys.pdbqt | data/3E/3EMT-DGI/3EMT-DGI_decoy_scores.csv |
3EVB-SAH | data/3E/3EVB-SAH/3EVB-SAH_ligand.pdbqt | data/3E/3EVB-SAH/3EVB-SAH_target.pdbqt | data/3E/3EVB-SAH/3EVB-SAH_decoys.pdbqt | data/3E/3EVB-SAH/3EVB-SAH_decoy_scores.csv |
3EKX-1UN | data/3E/3EKX-1UN/3EKX-1UN_ligand.pdbqt | data/3E/3EKX-1UN/3EKX-1UN_target.pdbqt | data/3E/3EKX-1UN/3EKX-1UN_decoys.pdbqt | data/3E/3EKX-1UN/3EKX-1UN_decoy_scores.csv |
3E7F-6PG | data/3E/3E7F-6PG/3E7F-6PG_ligand.pdbqt | data/3E/3E7F-6PG/3E7F-6PG_target.pdbqt | data/3E/3E7F-6PG/3E7F-6PG_decoys.pdbqt | data/3E/3E7F-6PG/3E7F-6PG_decoy_scores.csv |
3E5H-GNP | data/3E/3E5H-GNP/3E5H-GNP_ligand.pdbqt | data/3E/3E5H-GNP/3E5H-GNP_target.pdbqt | data/3E/3E5H-GNP/3E5H-GNP_decoys.pdbqt | data/3E/3E5H-GNP/3E5H-GNP_decoy_scores.csv |
3EBD-H4B | data/3E/3EBD-H4B/3EBD-H4B_ligand.pdbqt | data/3E/3EBD-H4B/3EBD-H4B_target.pdbqt | data/3E/3EBD-H4B/3EBD-H4B_decoys.pdbqt | data/3E/3EBD-H4B/3EBD-H4B_decoy_scores.csv |
3EM3-478 | data/3E/3EM3-478/3EM3-478_ligand.pdbqt | data/3E/3EM3-478/3EM3-478_target.pdbqt | data/3E/3EM3-478/3EM3-478_decoys.pdbqt | data/3E/3EM3-478/3EM3-478_decoy_scores.csv |
3EQH-ADP | data/3E/3EQH-ADP/3EQH-ADP_ligand.pdbqt | data/3E/3EQH-ADP/3EQH-ADP_target.pdbqt | data/3E/3EQH-ADP/3EQH-ADP_decoys.pdbqt | data/3E/3EQH-ADP/3EQH-ADP_decoy_scores.csv |
3EWH-K11 | data/3E/3EWH-K11/3EWH-K11_ligand.pdbqt | data/3E/3EWH-K11/3EWH-K11_target.pdbqt | data/3E/3EWH-K11/3EWH-K11_decoys.pdbqt | data/3E/3EWH-K11/3EWH-K11_decoy_scores.csv |
3E85-BSU | data/3E/3E85-BSU/3E85-BSU_ligand.pdbqt | data/3E/3E85-BSU/3E85-BSU_target.pdbqt | data/3E/3E85-BSU/3E85-BSU_decoys.pdbqt | data/3E/3E85-BSU/3E85-BSU_decoy_scores.csv |
3EUQ-P6G | data/3E/3EUQ-P6G/3EUQ-P6G_ligand.pdbqt | data/3E/3EUQ-P6G/3EUQ-P6G_target.pdbqt | data/3E/3EUQ-P6G/3EUQ-P6G_decoys.pdbqt | data/3E/3EUQ-P6G/3EUQ-P6G_decoy_scores.csv |
3E27-DND | data/3E/3E27-DND/3E27-DND_ligand.pdbqt | data/3E/3E27-DND/3E27-DND_target.pdbqt | data/3E/3E27-DND/3E27-DND_decoys.pdbqt | data/3E/3E27-DND/3E27-DND_decoy_scores.csv |
3E9K-3XH | data/3E/3E9K-3XH/3E9K-3XH_ligand.pdbqt | data/3E/3E9K-3XH/3E9K-3XH_target.pdbqt | data/3E/3E9K-3XH/3E9K-3XH_decoys.pdbqt | data/3E/3E9K-3XH/3E9K-3XH_decoy_scores.csv |
3EQC-AGS | data/3E/3EQC-AGS/3EQC-AGS_ligand.pdbqt | data/3E/3EQC-AGS/3EQC-AGS_target.pdbqt | data/3E/3EQC-AGS/3EQC-AGS_decoys.pdbqt | data/3E/3EQC-AGS/3EQC-AGS_decoy_scores.csv |
3E8C-G96 | data/3E/3E8C-G96/3E8C-G96_ligand.pdbqt | data/3E/3E8C-G96/3E8C-G96_target.pdbqt | data/3E/3E8C-G96/3E8C-G96_decoys.pdbqt | data/3E/3E8C-G96/3E8C-G96_decoy_scores.csv |
3EEA-PG6 | data/3E/3EEA-PG6/3EEA-PG6_ligand.pdbqt | data/3E/3EEA-PG6/3EEA-PG6_target.pdbqt | data/3E/3EEA-PG6/3EEA-PG6_decoys.pdbqt | data/3E/3EEA-PG6/3EEA-PG6_decoy_scores.csv |
3E7G-H4B | data/3E/3E7G-H4B/3E7G-H4B_ligand.pdbqt | data/3E/3E7G-H4B/3E7G-H4B_target.pdbqt | data/3E/3E7G-H4B/3E7G-H4B_decoys.pdbqt | data/3E/3E7G-H4B/3E7G-H4B_decoy_scores.csv |
3E3S-I3C | data/3E/3E3S-I3C/3E3S-I3C_ligand.pdbqt | data/3E/3E3S-I3C/3E3S-I3C_target.pdbqt | data/3E/3E3S-I3C/3E3S-I3C_decoys.pdbqt | data/3E/3E3S-I3C/3E3S-I3C_decoy_scores.csv |
3EK3-FMN | data/3E/3EK3-FMN/3EK3-FMN_ligand.pdbqt | data/3E/3EK3-FMN/3EK3-FMN_target.pdbqt | data/3E/3EK3-FMN/3EK3-FMN_decoys.pdbqt | data/3E/3EK3-FMN/3EK3-FMN_decoy_scores.csv |
3EJE-HTG | data/3E/3EJE-HTG/3EJE-HTG_ligand.pdbqt | data/3E/3EJE-HTG/3EJE-HTG_target.pdbqt | data/3E/3EJE-HTG/3EJE-HTG_decoys.pdbqt | data/3E/3EJE-HTG/3EJE-HTG_decoy_scores.csv |
3EQC-3BM | data/3E/3EQC-3BM/3EQC-3BM_ligand.pdbqt | data/3E/3EQC-3BM/3EQC-3BM_target.pdbqt | data/3E/3EQC-3BM/3EQC-3BM_decoys.pdbqt | data/3E/3EQC-3BM/3EQC-3BM_decoy_scores.csv |
3E6L-H4B | data/3E/3E6L-H4B/3E6L-H4B_ligand.pdbqt | data/3E/3E6L-H4B/3E6L-H4B_target.pdbqt | data/3E/3E6L-H4B/3E6L-H4B_decoys.pdbqt | data/3E/3E6L-H4B/3E6L-H4B_decoy_scores.csv |
3ELU-SAM | data/3E/3ELU-SAM/3ELU-SAM_ligand.pdbqt | data/3E/3ELU-SAM/3ELU-SAM_target.pdbqt | data/3E/3ELU-SAM/3ELU-SAM_decoys.pdbqt | data/3E/3ELU-SAM/3ELU-SAM_decoy_scores.csv |
3EFV-NAD | data/3E/3EFV-NAD/3EFV-NAD_ligand.pdbqt | data/3E/3EFV-NAD/3EFV-NAD_target.pdbqt | data/3E/3EFV-NAD/3EFV-NAD_decoys.pdbqt | data/3E/3EFV-NAD/3EFV-NAD_decoy_scores.csv |
3EKZ-G3P | data/3E/3EKZ-G3P/3EKZ-G3P_ligand.pdbqt | data/3E/3EKZ-G3P/3EKZ-G3P_target.pdbqt | data/3E/3EKZ-G3P/3EKZ-G3P_decoys.pdbqt | data/3E/3EKZ-G3P/3EKZ-G3P_decoy_scores.csv |
3EL4-ROC | data/3E/3EL4-ROC/3EL4-ROC_ligand.pdbqt | data/3E/3EL4-ROC/3EL4-ROC_target.pdbqt | data/3E/3EL4-ROC/3EL4-ROC_decoys.pdbqt | data/3E/3EL4-ROC/3EL4-ROC_decoy_scores.csv |
3EUT-DCR | data/3E/3EUT-DCR/3EUT-DCR_ligand.pdbqt | data/3E/3EUT-DCR/3EUT-DCR_target.pdbqt | data/3E/3EUT-DCR/3EUT-DCR_decoys.pdbqt | data/3E/3EUT-DCR/3EUT-DCR_decoy_scores.csv |
3EL8-PD5 | data/3E/3EL8-PD5/3EL8-PD5_ligand.pdbqt | data/3E/3EL8-PD5/3EL8-PD5_target.pdbqt | data/3E/3EL8-PD5/3EL8-PD5_decoys.pdbqt | data/3E/3EL8-PD5/3EL8-PD5_decoy_scores.csv |
3E6B-3C4 | data/3E/3E6B-3C4/3E6B-3C4_ligand.pdbqt | data/3E/3E6B-3C4/3E6B-3C4_target.pdbqt | data/3E/3E6B-3C4/3E6B-3C4_decoys.pdbqt | data/3E/3E6B-3C4/3E6B-3C4_decoy_scores.csv |
3ELC-GPP | data/3E/3ELC-GPP/3ELC-GPP_ligand.pdbqt | data/3E/3ELC-GPP/3ELC-GPP_target.pdbqt | data/3E/3ELC-GPP/3ELC-GPP_decoys.pdbqt | data/3E/3ELC-GPP/3ELC-GPP_decoy_scores.csv |
3EKU-CY9 | data/3E/3EKU-CY9/3EKU-CY9_ligand.pdbqt | data/3E/3EKU-CY9/3EKU-CY9_target.pdbqt | data/3E/3EKU-CY9/3EKU-CY9_decoys.pdbqt | data/3E/3EKU-CY9/3EKU-CY9_decoy_scores.csv |
3EYG-MI1 | data/3E/3EYG-MI1/3EYG-MI1_ligand.pdbqt | data/3E/3EYG-MI1/3EYG-MI1_target.pdbqt | data/3E/3EYG-MI1/3EYG-MI1_decoys.pdbqt | data/3E/3EYG-MI1/3EYG-MI1_decoy_scores.csv |
3EX6-U5P | data/3E/3EX6-U5P/3EX6-U5P_ligand.pdbqt | data/3E/3EX6-U5P/3EX6-U5P_target.pdbqt | data/3E/3EX6-U5P/3EX6-U5P_decoys.pdbqt | data/3E/3EX6-U5P/3EX6-U5P_decoy_scores.csv |
3E39-FMN | data/3E/3E39-FMN/3E39-FMN_ligand.pdbqt | data/3E/3E39-FMN/3E39-FMN_target.pdbqt | data/3E/3E39-FMN/3E39-FMN_decoys.pdbqt | data/3E/3E39-FMN/3E39-FMN_decoy_scores.csv |
3EYH-IZA | data/3E/3EYH-IZA/3EYH-IZA_ligand.pdbqt | data/3E/3EYH-IZA/3EYH-IZA_target.pdbqt | data/3E/3EYH-IZA/3EYH-IZA_decoys.pdbqt | data/3E/3EYH-IZA/3EYH-IZA_decoy_scores.csv |
3EKK-GS2 | data/3E/3EKK-GS2/3EKK-GS2_ligand.pdbqt | data/3E/3EKK-GS2/3EKK-GS2_target.pdbqt | data/3E/3EKK-GS2/3EKK-GS2_decoys.pdbqt | data/3E/3EKK-GS2/3EKK-GS2_decoy_scores.csv |
3E0Q-JFD | data/3E/3E0Q-JFD/3E0Q-JFD_ligand.pdbqt | data/3E/3E0Q-JFD/3E0Q-JFD_target.pdbqt | data/3E/3E0Q-JFD/3E0Q-JFD_decoys.pdbqt | data/3E/3E0Q-JFD/3E0Q-JFD_decoy_scores.csv |
3EN6-KS5 | data/3E/3EN6-KS5/3EN6-KS5_ligand.pdbqt | data/3E/3EN6-KS5/3EN6-KS5_target.pdbqt | data/3E/3EN6-KS5/3EN6-KS5_decoys.pdbqt | data/3E/3EN6-KS5/3EN6-KS5_decoy_scores.csv |
3E8N-VRA | data/3E/3E8N-VRA/3E8N-VRA_ligand.pdbqt | data/3E/3E8N-VRA/3E8N-VRA_target.pdbqt | data/3E/3E8N-VRA/3E8N-VRA_decoys.pdbqt | data/3E/3E8N-VRA/3E8N-VRA_decoy_scores.csv |
3ETD-B1T | data/3E/3ETD-B1T/3ETD-B1T_ligand.pdbqt | data/3E/3ETD-B1T/3ETD-B1T_target.pdbqt | data/3E/3ETD-B1T/3ETD-B1T_decoys.pdbqt | data/3E/3ETD-B1T/3ETD-B1T_decoy_scores.csv |
3EQ9-X97 | data/3E/3EQ9-X97/3EQ9-X97_ligand.pdbqt | data/3E/3EQ9-X97/3EQ9-X97_target.pdbqt | data/3E/3EQ9-X97/3EQ9-X97_decoys.pdbqt | data/3E/3EQ9-X97/3EQ9-X97_decoy_scores.csv |
3EA2-INS | data/3E/3EA2-INS/3EA2-INS_ligand.pdbqt | data/3E/3EA2-INS/3EA2-INS_target.pdbqt | data/3E/3EA2-INS/3EA2-INS_decoys.pdbqt | data/3E/3EA2-INS/3EA2-INS_decoy_scores.csv |
3EVD-GTP | data/3E/3EVD-GTP/3EVD-GTP_ligand.pdbqt | data/3E/3EVD-GTP/3EVD-GTP_target.pdbqt | data/3E/3EVD-GTP/3EVD-GTP_decoys.pdbqt | data/3E/3EVD-GTP/3EVD-GTP_decoy_scores.csv |
3EI8-PL5 | data/3E/3EI8-PL5/3EI8-PL5_ligand.pdbqt | data/3E/3EI8-PL5/3EI8-PL5_target.pdbqt | data/3E/3EI8-PL5/3EI8-PL5_decoys.pdbqt | data/3E/3EI8-PL5/3EI8-PL5_decoy_scores.csv |
3EZ3-IPE | data/3E/3EZ3-IPE/3EZ3-IPE_ligand.pdbqt | data/3E/3EZ3-IPE/3EZ3-IPE_target.pdbqt | data/3E/3EZ3-IPE/3EZ3-IPE_decoys.pdbqt | data/3E/3EZ3-IPE/3EZ3-IPE_decoy_scores.csv |
3ESP-DZ3 | data/3E/3ESP-DZ3/3ESP-DZ3_ligand.pdbqt | data/3E/3ESP-DZ3/3ESP-DZ3_target.pdbqt | data/3E/3ESP-DZ3/3ESP-DZ3_decoys.pdbqt | data/3E/3ESP-DZ3/3ESP-DZ3_decoy_scores.csv |
3E32-ED2 | data/3E/3E32-ED2/3E32-ED2_ligand.pdbqt | data/3E/3E32-ED2/3E32-ED2_target.pdbqt | data/3E/3E32-ED2/3E32-ED2_decoys.pdbqt | data/3E/3E32-ED2/3E32-ED2_decoy_scores.csv |
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