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 ⌀ |
|---|---|---|---|---|
4K5I-H4B | data/4K/4K5I-H4B/4K5I-H4B_ligand.pdbqt | data/4K/4K5I-H4B/4K5I-H4B_target.pdbqt | null | null |
4KIF-PPY | data/4K/4KIF-PPY/4KIF-PPY_ligand.pdbqt | data/4K/4KIF-PPY/4KIF-PPY_target.pdbqt | data/4K/4KIF-PPY/4KIF-PPY_decoys.pdbqt | data/4K/4KIF-PPY/4KIF-PPY_decoy_scores.csv |
4KPX-1SE | data/4K/4KPX-1SE/4KPX-1SE_ligand.pdbqt | data/4K/4KPX-1SE/4KPX-1SE_target.pdbqt | data/4K/4KPX-1SE/4KPX-1SE_decoys.pdbqt | data/4K/4KPX-1SE/4KPX-1SE_decoy_scores.csv |
4KLX-ATR | data/4K/4KLX-ATR/4KLX-ATR_ligand.pdbqt | data/4K/4KLX-ATR/4KLX-ATR_target.pdbqt | data/4K/4KLX-ATR/4KLX-ATR_decoys.pdbqt | data/4K/4KLX-ATR/4KLX-ATR_decoy_scores.csv |
4KNX-1S9 | data/4K/4KNX-1S9/4KNX-1S9_ligand.pdbqt | data/4K/4KNX-1S9/4KNX-1S9_target.pdbqt | data/4K/4KNX-1S9/4KNX-1S9_decoys.pdbqt | data/4K/4KNX-1S9/4KNX-1S9_decoy_scores.csv |
4KCM-1QF | data/4K/4KCM-1QF/4KCM-1QF_ligand.pdbqt | data/4K/4KCM-1QF/4KCM-1QF_target.pdbqt | data/4K/4KCM-1QF/4KCM-1QF_decoys.pdbqt | data/4K/4KCM-1QF/4KCM-1QF_decoy_scores.csv |
4KQP-GLN | data/4K/4KQP-GLN/4KQP-GLN_ligand.pdbqt | data/4K/4KQP-GLN/4KQP-GLN_target.pdbqt | data/4K/4KQP-GLN/4KQP-GLN_decoys.pdbqt | data/4K/4KQP-GLN/4KQP-GLN_decoy_scores.csv |
4KFT-FLC | data/4K/4KFT-FLC/4KFT-FLC_ligand.pdbqt | data/4K/4KFT-FLC/4KFT-FLC_target.pdbqt | data/4K/4KFT-FLC/4KFT-FLC_decoys.pdbqt | data/4K/4KFT-FLC/4KFT-FLC_decoy_scores.csv |
4KC2-BHE | data/4K/4KC2-BHE/4KC2-BHE_ligand.pdbqt | data/4K/4KC2-BHE/4KC2-BHE_target.pdbqt | data/4K/4KC2-BHE/4KC2-BHE_decoys.pdbqt | data/4K/4KC2-BHE/4KC2-BHE_decoy_scores.csv |
4K6U-1P4 | data/4K/4K6U-1P4/4K6U-1P4_ligand.pdbqt | data/4K/4K6U-1P4/4K6U-1P4_target.pdbqt | data/4K/4K6U-1P4/4K6U-1P4_decoys.pdbqt | data/4K/4K6U-1P4/4K6U-1P4_decoy_scores.csv |
4KKX-AQ3 | data/4K/4KKX-AQ3/4KKX-AQ3_ligand.pdbqt | data/4K/4KKX-AQ3/4KKX-AQ3_target.pdbqt | data/4K/4KKX-AQ3/4KKX-AQ3_decoys.pdbqt | data/4K/4KKX-AQ3/4KKX-AQ3_decoy_scores.csv |
4KEC-4KE | data/4K/4KEC-4KE/4KEC-4KE_ligand.pdbqt | data/4K/4KEC-4KE/4KEC-4KE_target.pdbqt | data/4K/4KEC-4KE/4KEC-4KE_decoys.pdbqt | data/4K/4KEC-4KE/4KEC-4KE_decoy_scores.csv |
4KFO-1QS | data/4K/4KFO-1QS/4KFO-1QS_ligand.pdbqt | data/4K/4KFO-1QS/4KFO-1QS_target.pdbqt | data/4K/4KFO-1QS/4KFO-1QS_decoys.pdbqt | data/4K/4KFO-1QS/4KFO-1QS_decoy_scores.csv |
4KGN-SAH | data/4K/4KGN-SAH/4KGN-SAH_ligand.pdbqt | data/4K/4KGN-SAH/4KGN-SAH_target.pdbqt | data/4K/4KGN-SAH/4KGN-SAH_decoys.pdbqt | data/4K/4KGN-SAH/4KGN-SAH_decoy_scores.csv |
4KCO-5H4 | data/4K/4KCO-5H4/4KCO-5H4_ligand.pdbqt | data/4K/4KCO-5H4/4KCO-5H4_target.pdbqt | data/4K/4KCO-5H4/4KCO-5H4_decoys.pdbqt | data/4K/4KCO-5H4/4KCO-5H4_decoy_scores.csv |
4K5O-1OT | data/4K/4K5O-1OT/4K5O-1OT_ligand.pdbqt | data/4K/4K5O-1OT/4K5O-1OT_target.pdbqt | data/4K/4K5O-1OT/4K5O-1OT_decoys.pdbqt | data/4K/4K5O-1OT/4K5O-1OT_decoy_scores.csv |
4KMT-NHE | data/4K/4KMT-NHE/4KMT-NHE_ligand.pdbqt | data/4K/4KMT-NHE/4KMT-NHE_target.pdbqt | data/4K/4KMT-NHE/4KMT-NHE_decoys.pdbqt | data/4K/4KMT-NHE/4KMT-NHE_decoy_scores.csv |
4K5E-1Q7 | data/4K/4K5E-1Q7/4K5E-1Q7_ligand.pdbqt | data/4K/4K5E-1Q7/4K5E-1Q7_target.pdbqt | data/4K/4K5E-1Q7/4K5E-1Q7_decoys.pdbqt | data/4K/4K5E-1Q7/4K5E-1Q7_decoy_scores.csv |
4K2L-THP | data/4K/4K2L-THP/4K2L-THP_ligand.pdbqt | data/4K/4K2L-THP/4K2L-THP_target.pdbqt | data/4K/4K2L-THP/4K2L-THP_decoys.pdbqt | data/4K/4K2L-THP/4K2L-THP_decoy_scores.csv |
4KUP-1TZ | data/4K/4KUP-1TZ/4KUP-1TZ_ligand.pdbqt | data/4K/4KUP-1TZ/4KUP-1TZ_target.pdbqt | data/4K/4KUP-1TZ/4KUP-1TZ_decoys.pdbqt | data/4K/4KUP-1TZ/4KUP-1TZ_decoy_scores.csv |
4KYO-BTB | data/4K/4KYO-BTB/4KYO-BTB_ligand.pdbqt | data/4K/4KYO-BTB/4KYO-BTB_target.pdbqt | data/4K/4KYO-BTB/4KYO-BTB_decoys.pdbqt | data/4K/4KYO-BTB/4KYO-BTB_decoy_scores.csv |
4KLW-KLW | data/4K/4KLW-KLW/4KLW-KLW_ligand.pdbqt | data/4K/4KLW-KLW/4KLW-KLW_target.pdbqt | data/4K/4KLW-KLW/4KLW-KLW_decoys.pdbqt | data/4K/4KLW-KLW/4KLW-KLW_decoy_scores.csv |
4K46-AMP | data/4K/4K46-AMP/4K46-AMP_ligand.pdbqt | data/4K/4K46-AMP/4K46-AMP_target.pdbqt | data/4K/4K46-AMP/4K46-AMP_decoys.pdbqt | data/4K/4K46-AMP/4K46-AMP_decoy_scores.csv |
4KEQ-5PN | data/4K/4KEQ-5PN/4KEQ-5PN_ligand.pdbqt | data/4K/4KEQ-5PN/4KEQ-5PN_target.pdbqt | data/4K/4KEQ-5PN/4KEQ-5PN_decoys.pdbqt | data/4K/4KEQ-5PN/4KEQ-5PN_decoy_scores.csv |
4KUG-NAD | data/4K/4KUG-NAD/4KUG-NAD_ligand.pdbqt | data/4K/4KUG-NAD/4KUG-NAD_target.pdbqt | data/4K/4KUG-NAD/4KUG-NAD_decoys.pdbqt | data/4K/4KUG-NAD/4KUG-NAD_decoy_scores.csv |
4KYQ-FLC | data/4K/4KYQ-FLC/4KYQ-FLC_ligand.pdbqt | data/4K/4KYQ-FLC/4KYQ-FLC_target.pdbqt | data/4K/4KYQ-FLC/4KYQ-FLC_decoys.pdbqt | data/4K/4KYQ-FLC/4KYQ-FLC_decoy_scores.csv |
4K81-GTP | data/4K/4K81-GTP/4K81-GTP_ligand.pdbqt | data/4K/4K81-GTP/4K81-GTP_target.pdbqt | data/4K/4K81-GTP/4K81-GTP_decoys.pdbqt | data/4K/4K81-GTP/4K81-GTP_decoy_scores.csv |
4KIG-34H | data/4K/4KIG-34H/4KIG-34H_ligand.pdbqt | data/4K/4KIG-34H/4KIG-34H_target.pdbqt | data/4K/4KIG-34H/4KIG-34H_decoys.pdbqt | data/4K/4KIG-34H/4KIG-34H_decoy_scores.csv |
4K5D-1Q6 | data/4K/4K5D-1Q6/4K5D-1Q6_ligand.pdbqt | data/4K/4K5D-1Q6/4K5D-1Q6_target.pdbqt | data/4K/4K5D-1Q6/4K5D-1Q6_decoys.pdbqt | data/4K/4K5D-1Q6/4K5D-1Q6_decoy_scores.csv |
4K8T-E34 | data/4K/4K8T-E34/4K8T-E34_ligand.pdbqt | data/4K/4K8T-E34/4K8T-E34_target.pdbqt | data/4K/4K8T-E34/4K8T-E34_decoys.pdbqt | data/4K/4K8T-E34/4K8T-E34_decoy_scores.csv |
4KIP-1R9 | data/4K/4KIP-1R9/4KIP-1R9_ligand.pdbqt | data/4K/4KIP-1R9/4KIP-1R9_target.pdbqt | data/4K/4KIP-1R9/4KIP-1R9_decoys.pdbqt | data/4K/4KIP-1R9/4KIP-1R9_decoy_scores.csv |
4KXW-DX5 | data/4K/4KXW-DX5/4KXW-DX5_ligand.pdbqt | data/4K/4KXW-DX5/4KXW-DX5_target.pdbqt | data/4K/4KXW-DX5/4KXW-DX5_decoys.pdbqt | data/4K/4KXW-DX5/4KXW-DX5_decoy_scores.csv |
4KAO-KAO | data/4K/4KAO-KAO/4KAO-KAO_ligand.pdbqt | data/4K/4KAO-KAO/4KAO-KAO_target.pdbqt | data/4K/4KAO-KAO/4KAO-KAO_decoys.pdbqt | data/4K/4KAO-KAO/4KAO-KAO_decoy_scores.csv |
4KFJ-1R0 | data/4K/4KFJ-1R0/4KFJ-1R0_ligand.pdbqt | data/4K/4KFJ-1R0/4KFJ-1R0_target.pdbqt | data/4K/4KFJ-1R0/4KFJ-1R0_decoys.pdbqt | data/4K/4KFJ-1R0/4KFJ-1R0_decoy_scores.csv |
4KCP-H44 | data/4K/4KCP-H44/4KCP-H44_ligand.pdbqt | data/4K/4KCP-H44/4KCP-H44_target.pdbqt | null | null |
4KVW-JF4 | data/4K/4KVW-JF4/4KVW-JF4_ligand.pdbqt | data/4K/4KVW-JF4/4KVW-JF4_target.pdbqt | data/4K/4KVW-JF4/4KVW-JF4_decoys.pdbqt | data/4K/4KVW-JF4/4KVW-JF4_decoy_scores.csv |
4KG2-CEF | data/4K/4KG2-CEF/4KG2-CEF_ligand.pdbqt | data/4K/4KG2-CEF/4KG2-CEF_target.pdbqt | data/4K/4KG2-CEF/4KG2-CEF_decoys.pdbqt | data/4K/4KG2-CEF/4KG2-CEF_decoy_scores.csv |
4KCI-H4B | data/4K/4KCI-H4B/4KCI-H4B_ligand.pdbqt | data/4K/4KCI-H4B/4KCI-H4B_target.pdbqt | data/4K/4KCI-H4B/4KCI-H4B_decoys.pdbqt | data/4K/4KCI-H4B/4KCI-H4B_decoy_scores.csv |
4KBA-1QM | data/4K/4KBA-1QM/4KBA-1QM_ligand.pdbqt | data/4K/4KBA-1QM/4KBA-1QM_target.pdbqt | data/4K/4KBA-1QM/4KBA-1QM_decoys.pdbqt | data/4K/4KBA-1QM/4KBA-1QM_decoy_scores.csv |
4KE1-1R6 | data/4K/4KE1-1R6/4KE1-1R6_ligand.pdbqt | data/4K/4KE1-1R6/4KE1-1R6_target.pdbqt | data/4K/4KE1-1R6/4KE1-1R6_decoys.pdbqt | data/4K/4KE1-1R6/4KE1-1R6_decoy_scores.csv |
4KOT-CE3 | data/4K/4KOT-CE3/4KOT-CE3_ligand.pdbqt | data/4K/4KOT-CE3/4KOT-CE3_target.pdbqt | data/4K/4KOT-CE3/4KOT-CE3_decoys.pdbqt | data/4K/4KOT-CE3/4KOT-CE3_decoy_scores.csv |
4KJV-1RK | data/4K/4KJV-1RK/4KJV-1RK_ligand.pdbqt | data/4K/4KJV-1RK/4KJV-1RK_target.pdbqt | data/4K/4KJV-1RK/4KJV-1RK_decoys.pdbqt | data/4K/4KJV-1RK/4KJV-1RK_decoy_scores.csv |
4KCN-5H3 | data/4K/4KCN-5H3/4KCN-5H3_ligand.pdbqt | data/4K/4KCN-5H3/4KCN-5H3_target.pdbqt | data/4K/4KCN-5H3/4KCN-5H3_decoys.pdbqt | data/4K/4KCN-5H3/4KCN-5H3_decoy_scores.csv |
4KZI-ZJ0 | data/4K/4KZI-ZJ0/4KZI-ZJ0_ligand.pdbqt | data/4K/4KZI-ZJ0/4KZI-ZJ0_target.pdbqt | data/4K/4KZI-ZJ0/4KZI-ZJ0_decoys.pdbqt | data/4K/4KZI-ZJ0/4KZI-ZJ0_decoy_scores.csv |
4KY7-THP | data/4K/4KY7-THP/4KY7-THP_ligand.pdbqt | data/4K/4KY7-THP/4KY7-THP_target.pdbqt | data/4K/4KY7-THP/4KY7-THP_decoys.pdbqt | data/4K/4KY7-THP/4KY7-THP_decoy_scores.csv |
4K6T-SIA | data/4K/4K6T-SIA/4K6T-SIA_ligand.pdbqt | data/4K/4K6T-SIA/4K6T-SIA_target.pdbqt | data/4K/4K6T-SIA/4K6T-SIA_decoys.pdbqt | data/4K/4K6T-SIA/4K6T-SIA_decoy_scores.csv |
4K3S-P4C | data/4K/4K3S-P4C/4K3S-P4C_ligand.pdbqt | data/4K/4K3S-P4C/4K3S-P4C_target.pdbqt | data/4K/4K3S-P4C/4K3S-P4C_decoys.pdbqt | data/4K/4K3S-P4C/4K3S-P4C_decoy_scores.csv |
4KEB-1QZ | data/4K/4KEB-1QZ/4KEB-1QZ_ligand.pdbqt | data/4K/4KEB-1QZ/4KEB-1QZ_target.pdbqt | data/4K/4KEB-1QZ/4KEB-1QZ_decoys.pdbqt | data/4K/4KEB-1QZ/4KEB-1QZ_decoy_scores.csv |
4KGV-ATP | data/4K/4KGV-ATP/4KGV-ATP_ligand.pdbqt | data/4K/4KGV-ATP/4KGV-ATP_target.pdbqt | data/4K/4KGV-ATP/4KGV-ATP_decoys.pdbqt | data/4K/4KGV-ATP/4KGV-ATP_decoy_scores.csv |
4KLZ-GDP | data/4K/4KLZ-GDP/4KLZ-GDP_ligand.pdbqt | data/4K/4KLZ-GDP/4KLZ-GDP_target.pdbqt | data/4K/4KLZ-GDP/4KLZ-GDP_decoys.pdbqt | data/4K/4KLZ-GDP/4KLZ-GDP_decoy_scores.csv |
4KWC-SAH | data/4K/4KWC-SAH/4KWC-SAH_ligand.pdbqt | data/4K/4KWC-SAH/4KWC-SAH_target.pdbqt | data/4K/4KWC-SAH/4KWC-SAH_decoys.pdbqt | data/4K/4KWC-SAH/4KWC-SAH_decoy_scores.csv |
4K87-ADN | data/4K/4K87-ADN/4K87-ADN_ligand.pdbqt | data/4K/4K87-ADN/4K87-ADN_target.pdbqt | data/4K/4K87-ADN/4K87-ADN_decoys.pdbqt | data/4K/4K87-ADN/4K87-ADN_decoy_scores.csv |
4KUV-MB6 | data/4K/4KUV-MB6/4KUV-MB6_ligand.pdbqt | data/4K/4KUV-MB6/4KUV-MB6_target.pdbqt | data/4K/4KUV-MB6/4KUV-MB6_decoys.pdbqt | data/4K/4KUV-MB6/4KUV-MB6_decoy_scores.csv |
4KD4-THP | data/4K/4KD4-THP/4KD4-THP_ligand.pdbqt | data/4K/4KD4-THP/4KD4-THP_target.pdbqt | data/4K/4KD4-THP/4KD4-THP_decoys.pdbqt | data/4K/4KD4-THP/4KD4-THP_decoy_scores.csv |
4KWU-BGC | data/4K/4KWU-BGC/4KWU-BGC_ligand.pdbqt | data/4K/4KWU-BGC/4KWU-BGC_target.pdbqt | data/4K/4KWU-BGC/4KWU-BGC_decoys.pdbqt | data/4K/4KWU-BGC/4KWU-BGC_decoy_scores.csv |
4KFB-1QP | data/4K/4KFB-1QP/4KFB-1QP_ligand.pdbqt | data/4K/4KFB-1QP/4KFB-1QP_target.pdbqt | data/4K/4KFB-1QP/4KFB-1QP_decoys.pdbqt | data/4K/4KFB-1QP/4KFB-1QP_decoy_scores.csv |
4KXX-1Y7 | data/4K/4KXX-1Y7/4KXX-1Y7_ligand.pdbqt | data/4K/4KXX-1Y7/4KXX-1Y7_target.pdbqt | data/4K/4KXX-1Y7/4KXX-1Y7_decoys.pdbqt | data/4K/4KXX-1Y7/4KXX-1Y7_decoy_scores.csv |
4KFS-FLC | data/4K/4KFS-FLC/4KFS-FLC_ligand.pdbqt | data/4K/4KFS-FLC/4KFS-FLC_target.pdbqt | data/4K/4KFS-FLC/4KFS-FLC_decoys.pdbqt | data/4K/4KFS-FLC/4KFS-FLC_decoy_scores.csv |
4K9L-TZD | data/4K/4K9L-TZD/4K9L-TZD_ligand.pdbqt | data/4K/4K9L-TZD/4K9L-TZD_target.pdbqt | data/4K/4K9L-TZD/4K9L-TZD_decoys.pdbqt | data/4K/4K9L-TZD/4K9L-TZD_decoy_scores.csv |
4KOY-CSC | data/4K/4KOY-CSC/4KOY-CSC_ligand.pdbqt | data/4K/4KOY-CSC/4KOY-CSC_target.pdbqt | data/4K/4KOY-CSC/4KOY-CSC_decoys.pdbqt | data/4K/4KOY-CSC/4KOY-CSC_decoy_scores.csv |
4KO8-AGS | data/4K/4KO8-AGS/4KO8-AGS_ligand.pdbqt | data/4K/4KO8-AGS/4KO8-AGS_target.pdbqt | data/4K/4KO8-AGS/4KO8-AGS_decoys.pdbqt | data/4K/4KO8-AGS/4KO8-AGS_decoy_scores.csv |
4KGX-PAL | data/4K/4KGX-PAL/4KGX-PAL_ligand.pdbqt | data/4K/4KGX-PAL/4KGX-PAL_target.pdbqt | data/4K/4KGX-PAL/4KGX-PAL_decoys.pdbqt | data/4K/4KGX-PAL/4KGX-PAL_decoy_scores.csv |
4K4Q-06B | data/4K/4K4Q-06B/4K4Q-06B_ligand.pdbqt | data/4K/4K4Q-06B/4K4Q-06B_target.pdbqt | data/4K/4K4Q-06B/4K4Q-06B_decoys.pdbqt | data/4K/4K4Q-06B/4K4Q-06B_decoy_scores.csv |
4K6V-1P4 | data/4K/4K6V-1P4/4K6V-1P4_ligand.pdbqt | data/4K/4K6V-1P4/4K6V-1P4_target.pdbqt | data/4K/4K6V-1P4/4K6V-1P4_decoys.pdbqt | data/4K/4K6V-1P4/4K6V-1P4_decoy_scores.csv |
4KQX-HIS | data/4K/4KQX-HIS/4KQX-HIS_ligand.pdbqt | data/4K/4KQX-HIS/4KQX-HIS_target.pdbqt | data/4K/4KQX-HIS/4KQX-HIS_decoys.pdbqt | data/4K/4KQX-HIS/4KQX-HIS_decoy_scores.csv |
4K8H-FMN | data/4K/4K8H-FMN/4K8H-FMN_ligand.pdbqt | data/4K/4K8H-FMN/4K8H-FMN_target.pdbqt | data/4K/4K8H-FMN/4K8H-FMN_decoys.pdbqt | data/4K/4K8H-FMN/4K8H-FMN_decoy_scores.csv |
4KIC-HF2 | data/4K/4KIC-HF2/4KIC-HF2_ligand.pdbqt | data/4K/4KIC-HF2/4KIC-HF2_target.pdbqt | data/4K/4KIC-HF2/4KIC-HF2_decoys.pdbqt | data/4K/4KIC-HF2/4KIC-HF2_decoy_scores.csv |
4KDR-SAH | data/4K/4KDR-SAH/4KDR-SAH_ligand.pdbqt | data/4K/4KDR-SAH/4KDR-SAH_target.pdbqt | data/4K/4KDR-SAH/4KDR-SAH_decoys.pdbqt | data/4K/4KDR-SAH/4KDR-SAH_decoy_scores.csv |
4KH1-UTP | data/4K/4KH1-UTP/4KH1-UTP_ligand.pdbqt | data/4K/4KH1-UTP/4KH1-UTP_target.pdbqt | data/4K/4KH1-UTP/4KH1-UTP_decoys.pdbqt | data/4K/4KH1-UTP/4KH1-UTP_decoy_scores.csv |
4KVL-PLM | data/4K/4KVL-PLM/4KVL-PLM_ligand.pdbqt | data/4K/4KVL-PLM/4KVL-PLM_target.pdbqt | data/4K/4KVL-PLM/4KVL-PLM_decoys.pdbqt | data/4K/4KVL-PLM/4KVL-PLM_decoy_scores.csv |
4KEH-1R3 | data/4K/4KEH-1R3/4KEH-1R3_ligand.pdbqt | data/4K/4KEH-1R3/4KEH-1R3_target.pdbqt | data/4K/4KEH-1R3/4KEH-1R3_decoys.pdbqt | data/4K/4KEH-1R3/4KEH-1R3_decoy_scores.csv |
4KYK-IMN | data/4K/4KYK-IMN/4KYK-IMN_ligand.pdbqt | data/4K/4KYK-IMN/4KYK-IMN_target.pdbqt | data/4K/4KYK-IMN/4KYK-IMN_decoys.pdbqt | data/4K/4KYK-IMN/4KYK-IMN_decoy_scores.csv |
4KCH-H4B | data/4K/4KCH-H4B/4KCH-H4B_ligand.pdbqt | data/4K/4KCH-H4B/4KCH-H4B_target.pdbqt | data/4K/4KCH-H4B/4KCH-H4B_decoys.pdbqt | data/4K/4KCH-H4B/4KCH-H4B_decoy_scores.csv |
4KCF-FMN | data/4K/4KCF-FMN/4KCF-FMN_ligand.pdbqt | data/4K/4KCF-FMN/4KCF-FMN_target.pdbqt | data/4K/4KCF-FMN/4KCF-FMN_decoys.pdbqt | data/4K/4KCF-FMN/4KCF-FMN_decoy_scores.csv |
4KWI-1TJ | data/4K/4KWI-1TJ/4KWI-1TJ_ligand.pdbqt | data/4K/4KWI-1TJ/4KWI-1TJ_target.pdbqt | data/4K/4KWI-1TJ/4KWI-1TJ_decoys.pdbqt | data/4K/4KWI-1TJ/4KWI-1TJ_decoy_scores.csv |
4KCG-UDP | data/4K/4KCG-UDP/4KCG-UDP_ligand.pdbqt | data/4K/4KCG-UDP/4KCG-UDP_target.pdbqt | data/4K/4KCG-UDP/4KCG-UDP_decoys.pdbqt | data/4K/4KCG-UDP/4KCG-UDP_decoy_scores.csv |
4K33-ACP | data/4K/4K33-ACP/4K33-ACP_ligand.pdbqt | data/4K/4K33-ACP/4K33-ACP_target.pdbqt | data/4K/4K33-ACP/4K33-ACP_decoys.pdbqt | data/4K/4K33-ACP/4K33-ACP_decoy_scores.csv |
4KQJ-NCN | data/4K/4KQJ-NCN/4KQJ-NCN_ligand.pdbqt | data/4K/4KQJ-NCN/4KQJ-NCN_target.pdbqt | data/4K/4KQJ-NCN/4KQJ-NCN_decoys.pdbqt | data/4K/4KQJ-NCN/4KQJ-NCN_decoy_scores.csv |
4K2G-1OQ | data/4K/4K2G-1OQ/4K2G-1OQ_ligand.pdbqt | data/4K/4K2G-1OQ/4K2G-1OQ_target.pdbqt | data/4K/4K2G-1OQ/4K2G-1OQ_decoys.pdbqt | data/4K/4K2G-1OQ/4K2G-1OQ_decoy_scores.csv |
4KTR-P6G | data/4K/4KTR-P6G/4KTR-P6G_ligand.pdbqt | data/4K/4KTR-P6G/4KTR-P6G_target.pdbqt | data/4K/4KTR-P6G/4KTR-P6G_decoys.pdbqt | data/4K/4KTR-P6G/4KTR-P6G_decoy_scores.csv |
4K8K-1PJ | data/4K/4K8K-1PJ/4K8K-1PJ_ligand.pdbqt | data/4K/4K8K-1PJ/4K8K-1PJ_target.pdbqt | data/4K/4K8K-1PJ/4K8K-1PJ_decoys.pdbqt | data/4K/4K8K-1PJ/4K8K-1PJ_decoy_scores.csv |
4K8E-0WV | data/4K/4K8E-0WV/4K8E-0WV_ligand.pdbqt | data/4K/4K8E-0WV/4K8E-0WV_target.pdbqt | data/4K/4K8E-0WV/4K8E-0WV_decoys.pdbqt | data/4K/4K8E-0WV/4K8E-0WV_decoy_scores.csv |
4KGM-ATP | data/4K/4KGM-ATP/4KGM-ATP_ligand.pdbqt | data/4K/4KGM-ATP/4KGM-ATP_target.pdbqt | data/4K/4KGM-ATP/4KGM-ATP_decoys.pdbqt | data/4K/4KGM-ATP/4KGM-ATP_decoy_scores.csv |
4KWF-3AK | data/4K/4KWF-3AK/4KWF-3AK_ligand.pdbqt | data/4K/4KWF-3AK/4KWF-3AK_target.pdbqt | data/4K/4KWF-3AK/4KWF-3AK_decoys.pdbqt | data/4K/4KWF-3AK/4KWF-3AK_decoy_scores.csv |
4KSY-1SY | data/4K/4KSY-1SY/4KSY-1SY_ligand.pdbqt | data/4K/4KSY-1SY/4KSY-1SY_target.pdbqt | data/4K/4KSY-1SY/4KSY-1SY_decoys.pdbqt | data/4K/4KSY-1SY/4KSY-1SY_decoy_scores.csv |
4KL9-P33 | data/4K/4KL9-P33/4KL9-P33_ligand.pdbqt | data/4K/4KL9-P33/4KL9-P33_target.pdbqt | data/4K/4KL9-P33/4KL9-P33_decoys.pdbqt | data/4K/4KL9-P33/4KL9-P33_decoy_scores.csv |
4KTR-PE4 | data/4K/4KTR-PE4/4KTR-PE4_ligand.pdbqt | data/4K/4KTR-PE4/4KTR-PE4_target.pdbqt | data/4K/4KTR-PE4/4KTR-PE4_decoys.pdbqt | data/4K/4KTR-PE4/4KTR-PE4_decoy_scores.csv |
4K06-PE4 | data/4K/4K06-PE4/4K06-PE4_ligand.pdbqt | data/4K/4K06-PE4/4K06-PE4_target.pdbqt | data/4K/4K06-PE4/4K06-PE4_decoys.pdbqt | data/4K/4K06-PE4/4K06-PE4_decoy_scores.csv |
4K9I-NRH | data/4K/4K9I-NRH/4K9I-NRH_ligand.pdbqt | data/4K/4K9I-NRH/4K9I-NRH_target.pdbqt | data/4K/4K9I-NRH/4K9I-NRH_decoys.pdbqt | data/4K/4K9I-NRH/4K9I-NRH_decoy_scores.csv |
4KFA-ZOL | data/4K/4KFA-ZOL/4KFA-ZOL_ligand.pdbqt | data/4K/4KFA-ZOL/4KFA-ZOL_target.pdbqt | data/4K/4KFA-ZOL/4KFA-ZOL_decoys.pdbqt | data/4K/4KFA-ZOL/4KFA-ZOL_decoy_scores.csv |
4KXU-S6P | data/4K/4KXU-S6P/4KXU-S6P_ligand.pdbqt | data/4K/4KXU-S6P/4KXU-S6P_target.pdbqt | data/4K/4KXU-S6P/4KXU-S6P_decoys.pdbqt | data/4K/4KXU-S6P/4KXU-S6P_decoy_scores.csv |
4KPD-IPE | data/4K/4KPD-IPE/4KPD-IPE_ligand.pdbqt | data/4K/4KPD-IPE/4KPD-IPE_target.pdbqt | data/4K/4KPD-IPE/4KPD-IPE_decoys.pdbqt | data/4K/4KPD-IPE/4KPD-IPE_decoy_scores.csv |
4K0Z-MZM | data/4K/4K0Z-MZM/4K0Z-MZM_ligand.pdbqt | data/4K/4K0Z-MZM/4K0Z-MZM_target.pdbqt | data/4K/4K0Z-MZM/4K0Z-MZM_decoys.pdbqt | data/4K/4K0Z-MZM/4K0Z-MZM_decoy_scores.csv |
4K93-ADN | data/4K/4K93-ADN/4K93-ADN_ligand.pdbqt | data/4K/4K93-ADN/4K93-ADN_target.pdbqt | data/4K/4K93-ADN/4K93-ADN_decoys.pdbqt | data/4K/4K93-ADN/4K93-ADN_decoy_scores.csv |
4KQG-DMD | data/4K/4KQG-DMD/4KQG-DMD_ligand.pdbqt | data/4K/4KQG-DMD/4KQG-DMD_target.pdbqt | data/4K/4KQG-DMD/4KQG-DMD_decoys.pdbqt | data/4K/4KQG-DMD/4KQG-DMD_decoy_scores.csv |
4KIB-HF2 | data/4K/4KIB-HF2/4KIB-HF2_ligand.pdbqt | data/4K/4KIB-HF2/4KIB-HF2_target.pdbqt | data/4K/4KIB-HF2/4KIB-HF2_decoys.pdbqt | data/4K/4KIB-HF2/4KIB-HF2_decoy_scores.csv |
4K6I-9RA | data/4K/4K6I-9RA/4K6I-9RA_ligand.pdbqt | data/4K/4K6I-9RA/4K6I-9RA_target.pdbqt | data/4K/4K6I-9RA/4K6I-9RA_decoys.pdbqt | data/4K/4K6I-9RA/4K6I-9RA_decoy_scores.csv |
4KZ5-1U3 | data/4K/4KZ5-1U3/4KZ5-1U3_ligand.pdbqt | data/4K/4KZ5-1U3/4KZ5-1U3_target.pdbqt | data/4K/4KZ5-1U3/4KZ5-1U3_decoys.pdbqt | data/4K/4KZ5-1U3/4KZ5-1U3_decoy_scores.csv |
4KCF-AKM | data/4K/4KCF-AKM/4KCF-AKM_ligand.pdbqt | data/4K/4KCF-AKM/4KCF-AKM_target.pdbqt | data/4K/4KCF-AKM/4KCF-AKM_decoys.pdbqt | data/4K/4KCF-AKM/4KCF-AKM_decoy_scores.csv |
4KCS-5H4 | data/4K/4KCS-5H4/4KCS-5H4_ligand.pdbqt | data/4K/4KCS-5H4/4KCS-5H4_target.pdbqt | null | null |
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