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 ⌀ |
|---|---|---|---|---|
6OYR-NJY | data/6O/6OYR-NJY/6OYR-NJY_ligand.pdbqt | data/6O/6OYR-NJY/6OYR-NJY_target.pdbqt | data/6O/6OYR-NJY/6OYR-NJY_decoys.pdbqt | data/6O/6OYR-NJY/6OYR-NJY_decoy_scores.csv |
6OXQ-F53 | data/6O/6OXQ-F53/6OXQ-F53_ligand.pdbqt | data/6O/6OXQ-F53/6OXQ-F53_target.pdbqt | data/6O/6OXQ-F53/6OXQ-F53_decoys.pdbqt | data/6O/6OXQ-F53/6OXQ-F53_decoy_scores.csv |
6OL8-ZZ7 | data/6O/6OL8-ZZ7/6OL8-ZZ7_ligand.pdbqt | data/6O/6OL8-ZZ7/6OL8-ZZ7_target.pdbqt | data/6O/6OL8-ZZ7/6OL8-ZZ7_decoys.pdbqt | data/6O/6OL8-ZZ7/6OL8-ZZ7_decoy_scores.csv |
6O3P-AMP | data/6O/6O3P-AMP/6O3P-AMP_ligand.pdbqt | data/6O/6O3P-AMP/6O3P-AMP_target.pdbqt | data/6O/6O3P-AMP/6O3P-AMP_decoys.pdbqt | data/6O/6O3P-AMP/6O3P-AMP_decoy_scores.csv |
6O0J-DNA | data/6O/6O0J-DNA/6O0J-DNA_ligand.pdbqt | data/6O/6O0J-DNA/6O0J-DNA_target.pdbqt | data/6O/6O0J-DNA/6O0J-DNA_decoys.pdbqt | data/6O/6O0J-DNA/6O0J-DNA_decoy_scores.csv |
6O66-LND | data/6O/6O66-LND/6O66-LND_ligand.pdbqt | data/6O/6O66-LND/6O66-LND_target.pdbqt | data/6O/6O66-LND/6O66-LND_decoys.pdbqt | data/6O/6O66-LND/6O66-LND_decoy_scores.csv |
6OHL-FMN | data/6O/6OHL-FMN/6OHL-FMN_ligand.pdbqt | data/6O/6OHL-FMN/6OHL-FMN_target.pdbqt | data/6O/6OHL-FMN/6OHL-FMN_decoys.pdbqt | data/6O/6OHL-FMN/6OHL-FMN_decoy_scores.csv |
6OS7-FLC | data/6O/6OS7-FLC/6OS7-FLC_ligand.pdbqt | data/6O/6OS7-FLC/6OS7-FLC_target.pdbqt | data/6O/6OS7-FLC/6OS7-FLC_decoys.pdbqt | data/6O/6OS7-FLC/6OS7-FLC_decoy_scores.csv |
6OWP-NAJ | data/6O/6OWP-NAJ/6OWP-NAJ_ligand.pdbqt | data/6O/6OWP-NAJ/6OWP-NAJ_target.pdbqt | data/6O/6OWP-NAJ/6OWP-NAJ_decoys.pdbqt | data/6O/6OWP-NAJ/6OWP-NAJ_decoy_scores.csv |
6OZV-AMP | data/6O/6OZV-AMP/6OZV-AMP_ligand.pdbqt | data/6O/6OZV-AMP/6OZV-AMP_target.pdbqt | data/6O/6OZV-AMP/6OZV-AMP_decoys.pdbqt | data/6O/6OZV-AMP/6OZV-AMP_decoy_scores.csv |
6O8U-LS7 | data/6O/6O8U-LS7/6O8U-LS7_ligand.pdbqt | data/6O/6O8U-LS7/6O8U-LS7_target.pdbqt | data/6O/6O8U-LS7/6O8U-LS7_decoys.pdbqt | data/6O/6O8U-LS7/6O8U-LS7_decoy_scores.csv |
6OHK-FMN | data/6O/6OHK-FMN/6OHK-FMN_ligand.pdbqt | data/6O/6OHK-FMN/6OHK-FMN_target.pdbqt | data/6O/6OHK-FMN/6OHK-FMN_decoys.pdbqt | data/6O/6OHK-FMN/6OHK-FMN_decoy_scores.csv |
6OXU-NE7 | data/6O/6OXU-NE7/6OXU-NE7_ligand.pdbqt | data/6O/6OXU-NE7/6OXU-NE7_target.pdbqt | data/6O/6OXU-NE7/6OXU-NE7_decoys.pdbqt | data/6O/6OXU-NE7/6OXU-NE7_decoy_scores.csv |
6OD6-M7D | data/6O/6OD6-M7D/6OD6-M7D_ligand.pdbqt | data/6O/6OD6-M7D/6OD6-M7D_target.pdbqt | data/6O/6OD6-M7D/6OD6-M7D_decoys.pdbqt | data/6O/6OD6-M7D/6OD6-M7D_decoy_scores.csv |
6OIP-MLS | data/6O/6OIP-MLS/6OIP-MLS_ligand.pdbqt | data/6O/6OIP-MLS/6OIP-MLS_target.pdbqt | data/6O/6OIP-MLS/6OIP-MLS_decoys.pdbqt | data/6O/6OIP-MLS/6OIP-MLS_decoy_scores.csv |
6OID-ADP | data/6O/6OID-ADP/6OID-ADP_ligand.pdbqt | data/6O/6OID-ADP/6OID-ADP_target.pdbqt | data/6O/6OID-ADP/6OID-ADP_decoys.pdbqt | data/6O/6OID-ADP/6OID-ADP_decoy_scores.csv |
6OCK-2J3 | data/6O/6OCK-2J3/6OCK-2J3_ligand.pdbqt | data/6O/6OCK-2J3/6OCK-2J3_target.pdbqt | data/6O/6OCK-2J3/6OCK-2J3_decoys.pdbqt | data/6O/6OCK-2J3/6OCK-2J3_decoy_scores.csv |
6O7L-HCA | data/6O/6O7L-HCA/6O7L-HCA_ligand.pdbqt | data/6O/6O7L-HCA/6O7L-HCA_target.pdbqt | null | null |
6OA0-M1D | data/6O/6OA0-M1D/6OA0-M1D_ligand.pdbqt | data/6O/6OA0-M1D/6OA0-M1D_target.pdbqt | data/6O/6OA0-M1D/6OA0-M1D_decoys.pdbqt | data/6O/6OA0-M1D/6OA0-M1D_decoy_scores.csv |
6OIO-ML7 | data/6O/6OIO-ML7/6OIO-ML7_ligand.pdbqt | data/6O/6OIO-ML7/6OIO-ML7_target.pdbqt | data/6O/6OIO-ML7/6OIO-ML7_decoys.pdbqt | data/6O/6OIO-ML7/6OIO-ML7_decoy_scores.csv |
6OVE-N9D | data/6O/6OVE-N9D/6OVE-N9D_ligand.pdbqt | data/6O/6OVE-N9D/6OVE-N9D_target.pdbqt | data/6O/6OVE-N9D/6OVE-N9D_decoys.pdbqt | data/6O/6OVE-N9D/6OVE-N9D_decoy_scores.csv |
6OQ4-N0G | data/6O/6OQ4-N0G/6OQ4-N0G_ligand.pdbqt | data/6O/6OQ4-N0G/6OQ4-N0G_target.pdbqt | data/6O/6OQ4-N0G/6OQ4-N0G_decoys.pdbqt | data/6O/6OQ4-N0G/6OQ4-N0G_decoy_scores.csv |
6OJD-MUY | data/6O/6OJD-MUY/6OJD-MUY_ligand.pdbqt | data/6O/6OJD-MUY/6OJD-MUY_target.pdbqt | data/6O/6OJD-MUY/6OJD-MUY_decoys.pdbqt | data/6O/6OJD-MUY/6OJD-MUY_decoy_scores.csv |
6OJE-GDP | data/6O/6OJE-GDP/6OJE-GDP_ligand.pdbqt | data/6O/6OJE-GDP/6OJE-GDP_target.pdbqt | data/6O/6OJE-GDP/6OJE-GDP_decoys.pdbqt | data/6O/6OJE-GDP/6OJE-GDP_decoy_scores.csv |
6ODZ-M8J | data/6O/6ODZ-M8J/6ODZ-M8J_ligand.pdbqt | data/6O/6ODZ-M8J/6ODZ-M8J_target.pdbqt | data/6O/6ODZ-M8J/6ODZ-M8J_decoys.pdbqt | data/6O/6ODZ-M8J/6ODZ-M8J_decoy_scores.csv |
6ORU-N3G | data/6O/6ORU-N3G/6ORU-N3G_ligand.pdbqt | data/6O/6ORU-N3G/6ORU-N3G_target.pdbqt | data/6O/6ORU-N3G/6ORU-N3G_decoys.pdbqt | data/6O/6ORU-N3G/6ORU-N3G_decoy_scores.csv |
6OQ3-GNP | data/6O/6OQ3-GNP/6OQ3-GNP_ligand.pdbqt | data/6O/6OQ3-GNP/6OQ3-GNP_target.pdbqt | data/6O/6OQ3-GNP/6OQ3-GNP_decoys.pdbqt | data/6O/6OQ3-GNP/6OQ3-GNP_decoy_scores.csv |
6OGP-MJD | data/6O/6OGP-MJD/6OGP-MJD_ligand.pdbqt | data/6O/6OGP-MJD/6OGP-MJD_target.pdbqt | data/6O/6OGP-MJD/6OGP-MJD_decoys.pdbqt | data/6O/6OGP-MJD/6OGP-MJD_decoy_scores.csv |
6O43-I3C | data/6O/6O43-I3C/6O43-I3C_ligand.pdbqt | data/6O/6O43-I3C/6O43-I3C_target.pdbqt | data/6O/6O43-I3C/6O43-I3C_decoys.pdbqt | data/6O/6O43-I3C/6O43-I3C_decoy_scores.csv |
6OGT-JDY | data/6O/6OGT-JDY/6OGT-JDY_ligand.pdbqt | data/6O/6OGT-JDY/6OGT-JDY_target.pdbqt | data/6O/6OGT-JDY/6OGT-JDY_decoys.pdbqt | data/6O/6OGT-JDY/6OGT-JDY_decoy_scores.csv |
6O1J-FUL | data/6O/6O1J-FUL/6O1J-FUL_ligand.pdbqt | data/6O/6O1J-FUL/6O1J-FUL_target.pdbqt | data/6O/6O1J-FUL/6O1J-FUL_decoys.pdbqt | data/6O/6O1J-FUL/6O1J-FUL_decoy_scores.csv |
6OPW-017 | data/6O/6OPW-017/6OPW-017_ligand.pdbqt | data/6O/6OPW-017/6OPW-017_target.pdbqt | data/6O/6OPW-017/6OPW-017_decoys.pdbqt | data/6O/6OPW-017/6OPW-017_decoy_scores.csv |
6OQA-60Z | data/6O/6OQA-60Z/6OQA-60Z_ligand.pdbqt | data/6O/6OQA-60Z/6OQA-60Z_target.pdbqt | data/6O/6OQA-60Z/6OQA-60Z_decoys.pdbqt | data/6O/6OQA-60Z/6OQA-60Z_decoy_scores.csv |
6O9P-BFQ | data/6O/6O9P-BFQ/6O9P-BFQ_ligand.pdbqt | data/6O/6O9P-BFQ/6O9P-BFQ_target.pdbqt | data/6O/6O9P-BFQ/6O9P-BFQ_decoys.pdbqt | data/6O/6O9P-BFQ/6O9P-BFQ_decoy_scores.csv |
6OGQ-JDV | data/6O/6OGQ-JDV/6OGQ-JDV_ligand.pdbqt | data/6O/6OGQ-JDV/6OGQ-JDV_target.pdbqt | data/6O/6OGQ-JDV/6OGQ-JDV_decoys.pdbqt | data/6O/6OGQ-JDV/6OGQ-JDV_decoy_scores.csv |
6O7N-HCA | data/6O/6O7N-HCA/6O7N-HCA_ligand.pdbqt | data/6O/6O7N-HCA/6O7N-HCA_target.pdbqt | null | null |
6OM8-UDX | data/6O/6OM8-UDX/6OM8-UDX_ligand.pdbqt | data/6O/6OM8-UDX/6OM8-UDX_target.pdbqt | data/6O/6OM8-UDX/6OM8-UDX_decoys.pdbqt | data/6O/6OM8-UDX/6OM8-UDX_decoy_scores.csv |
6OVZ-N9J | data/6O/6OVZ-N9J/6OVZ-N9J_ligand.pdbqt | data/6O/6OVZ-N9J/6OVZ-N9J_target.pdbqt | data/6O/6OVZ-N9J/6OVZ-N9J_decoys.pdbqt | data/6O/6OVZ-N9J/6OVZ-N9J_decoy_scores.csv |
6O4I-UN1 | data/6O/6O4I-UN1/6O4I-UN1_ligand.pdbqt | data/6O/6O4I-UN1/6O4I-UN1_target.pdbqt | data/6O/6O4I-UN1/6O4I-UN1_decoys.pdbqt | data/6O/6O4I-UN1/6O4I-UN1_decoy_scores.csv |
6OO9-MWV | data/6O/6OO9-MWV/6OO9-MWV_ligand.pdbqt | data/6O/6OO9-MWV/6OO9-MWV_target.pdbqt | data/6O/6OO9-MWV/6OO9-MWV_decoys.pdbqt | data/6O/6OO9-MWV/6OO9-MWV_decoy_scores.csv |
6OL2-MU7 | data/6O/6OL2-MU7/6OL2-MU7_ligand.pdbqt | data/6O/6OL2-MU7/6OL2-MU7_target.pdbqt | data/6O/6OL2-MU7/6OL2-MU7_decoys.pdbqt | data/6O/6OL2-MU7/6OL2-MU7_decoy_scores.csv |
6O4K-NAD | data/6O/6O4K-NAD/6O4K-NAD_ligand.pdbqt | data/6O/6O4K-NAD/6O4K-NAD_target.pdbqt | data/6O/6O4K-NAD/6O4K-NAD_decoys.pdbqt | data/6O/6O4K-NAD/6O4K-NAD_decoy_scores.csv |
6O62-GDP | data/6O/6O62-GDP/6O62-GDP_ligand.pdbqt | data/6O/6O62-GDP/6O62-GDP_target.pdbqt | data/6O/6O62-GDP/6O62-GDP_decoys.pdbqt | data/6O/6O62-GDP/6O62-GDP_decoy_scores.csv |
6O8M-LSY | data/6O/6O8M-LSY/6O8M-LSY_ligand.pdbqt | data/6O/6O8M-LSY/6O8M-LSY_target.pdbqt | data/6O/6O8M-LSY/6O8M-LSY_decoys.pdbqt | data/6O/6O8M-LSY/6O8M-LSY_decoy_scores.csv |
6O0W-BTB | data/6O/6O0W-BTB/6O0W-BTB_ligand.pdbqt | data/6O/6O0W-BTB/6O0W-BTB_target.pdbqt | data/6O/6O0W-BTB/6O0W-BTB_decoys.pdbqt | data/6O/6O0W-BTB/6O0W-BTB_decoy_scores.csv |
6OX3-SAH | data/6O/6OX3-SAH/6OX3-SAH_ligand.pdbqt | data/6O/6OX3-SAH/6OX3-SAH_target.pdbqt | data/6O/6OX3-SAH/6OX3-SAH_decoys.pdbqt | data/6O/6OX3-SAH/6OX3-SAH_decoy_scores.csv |
6O4U-LMV | data/6O/6O4U-LMV/6O4U-LMV_ligand.pdbqt | data/6O/6O4U-LMV/6O4U-LMV_target.pdbqt | data/6O/6O4U-LMV/6O4U-LMV_decoys.pdbqt | data/6O/6O4U-LMV/6O4U-LMV_decoy_scores.csv |
6ORG-BTB | data/6O/6ORG-BTB/6ORG-BTB_ligand.pdbqt | data/6O/6ORG-BTB/6ORG-BTB_target.pdbqt | data/6O/6ORG-BTB/6ORG-BTB_decoys.pdbqt | data/6O/6ORG-BTB/6ORG-BTB_decoy_scores.csv |
6OKC-MRJ | data/6O/6OKC-MRJ/6OKC-MRJ_ligand.pdbqt | data/6O/6OKC-MRJ/6OKC-MRJ_target.pdbqt | data/6O/6OKC-MRJ/6OKC-MRJ_decoys.pdbqt | data/6O/6OKC-MRJ/6OKC-MRJ_decoy_scores.csv |
6OOE-R6Z | data/6O/6OOE-R6Z/6OOE-R6Z_ligand.pdbqt | data/6O/6OOE-R6Z/6OOE-R6Z_target.pdbqt | data/6O/6OOE-R6Z/6OOE-R6Z_decoys.pdbqt | data/6O/6OOE-R6Z/6OOE-R6Z_decoy_scores.csv |
6OW4-NAD | data/6O/6OW4-NAD/6OW4-NAD_ligand.pdbqt | data/6O/6OW4-NAD/6OW4-NAD_target.pdbqt | data/6O/6OW4-NAD/6OW4-NAD_decoys.pdbqt | data/6O/6OW4-NAD/6OW4-NAD_decoy_scores.csv |
6OZ1-AMP | data/6O/6OZ1-AMP/6OZ1-AMP_ligand.pdbqt | data/6O/6OZ1-AMP/6OZ1-AMP_target.pdbqt | data/6O/6OZ1-AMP/6OZ1-AMP_decoys.pdbqt | data/6O/6OZ1-AMP/6OZ1-AMP_decoy_scores.csv |
6O80-MGP | data/6O/6O80-MGP/6O80-MGP_ligand.pdbqt | data/6O/6O80-MGP/6O80-MGP_target.pdbqt | data/6O/6O80-MGP/6O80-MGP_decoys.pdbqt | data/6O/6O80-MGP/6O80-MGP_decoy_scores.csv |
6OWM-PFB | data/6O/6OWM-PFB/6OWM-PFB_ligand.pdbqt | data/6O/6OWM-PFB/6OWM-PFB_target.pdbqt | data/6O/6OWM-PFB/6OWM-PFB_decoys.pdbqt | data/6O/6OWM-PFB/6OWM-PFB_decoy_scores.csv |
6O65-S4M | data/6O/6O65-S4M/6O65-S4M_ligand.pdbqt | data/6O/6O65-S4M/6O65-S4M_target.pdbqt | data/6O/6O65-S4M/6O65-S4M_decoys.pdbqt | data/6O/6O65-S4M/6O65-S4M_decoy_scores.csv |
6O3F-FYB | data/6O/6O3F-FYB/6O3F-FYB_ligand.pdbqt | data/6O/6O3F-FYB/6O3F-FYB_target.pdbqt | data/6O/6O3F-FYB/6O3F-FYB_decoys.pdbqt | data/6O/6O3F-FYB/6O3F-FYB_decoy_scores.csv |
6OY2-NJJ | data/6O/6OY2-NJJ/6OY2-NJJ_ligand.pdbqt | data/6O/6OY2-NJJ/6OY2-NJJ_target.pdbqt | data/6O/6OY2-NJJ/6OY2-NJJ_decoys.pdbqt | data/6O/6OY2-NJJ/6OY2-NJJ_decoy_scores.csv |
6O9W-NXL | data/6O/6O9W-NXL/6O9W-NXL_ligand.pdbqt | data/6O/6O9W-NXL/6O9W-NXL_target.pdbqt | data/6O/6O9W-NXL/6O9W-NXL_decoys.pdbqt | data/6O/6O9W-NXL/6O9W-NXL_decoy_scores.csv |
6O70-ACK | data/6O/6O70-ACK/6O70-ACK_ligand.pdbqt | data/6O/6O70-ACK/6O70-ACK_target.pdbqt | data/6O/6O70-ACK/6O70-ACK_decoys.pdbqt | data/6O/6O70-ACK/6O70-ACK_decoy_scores.csv |
6O6L-AVJ | data/6O/6O6L-AVJ/6O6L-AVJ_ligand.pdbqt | data/6O/6O6L-AVJ/6O6L-AVJ_target.pdbqt | data/6O/6O6L-AVJ/6O6L-AVJ_decoys.pdbqt | data/6O/6O6L-AVJ/6O6L-AVJ_decoy_scores.csv |
6O1X-AGS | data/6O/6O1X-AGS/6O1X-AGS_ligand.pdbqt | data/6O/6O1X-AGS/6O1X-AGS_target.pdbqt | data/6O/6O1X-AGS/6O1X-AGS_decoys.pdbqt | data/6O/6O1X-AGS/6O1X-AGS_decoy_scores.csv |
6O95-LSV | data/6O/6O95-LSV/6O95-LSV_ligand.pdbqt | data/6O/6O95-LSV/6O95-LSV_target.pdbqt | data/6O/6O95-LSV/6O95-LSV_decoys.pdbqt | data/6O/6O95-LSV/6O95-LSV_decoy_scores.csv |
6O6F-LOD | data/6O/6O6F-LOD/6O6F-LOD_ligand.pdbqt | data/6O/6O6F-LOD/6O6F-LOD_target.pdbqt | data/6O/6O6F-LOD/6O6F-LOD_decoys.pdbqt | data/6O/6O6F-LOD/6O6F-LOD_decoy_scores.csv |
6OAH-M2V | data/6O/6OAH-M2V/6OAH-M2V_ligand.pdbqt | data/6O/6OAH-M2V/6OAH-M2V_target.pdbqt | data/6O/6OAH-M2V/6OAH-M2V_decoys.pdbqt | data/6O/6OAH-M2V/6OAH-M2V_decoy_scores.csv |
6OVD-N9A | data/6O/6OVD-N9A/6OVD-N9A_ligand.pdbqt | data/6O/6OVD-N9A/6OVD-N9A_target.pdbqt | data/6O/6OVD-N9A/6OVD-N9A_decoys.pdbqt | data/6O/6OVD-N9A/6OVD-N9A_decoy_scores.csv |
6OR3-PLM | data/6O/6OR3-PLM/6OR3-PLM_ligand.pdbqt | data/6O/6OR3-PLM/6OR3-PLM_target.pdbqt | data/6O/6OR3-PLM/6OR3-PLM_decoys.pdbqt | data/6O/6OR3-PLM/6OR3-PLM_decoy_scores.csv |
1AG9-FMN | data/1A/1AG9-FMN/1AG9-FMN_ligand.pdbqt | data/1A/1AG9-FMN/1AG9-FMN_target.pdbqt | data/1A/1AG9-FMN/1AG9-FMN_decoys.pdbqt | data/1A/1AG9-FMN/1AG9-FMN_decoy_scores.csv |
1AMU-PHE | data/1A/1AMU-PHE/1AMU-PHE_ligand.pdbqt | data/1A/1AMU-PHE/1AMU-PHE_target.pdbqt | data/1A/1AMU-PHE/1AMU-PHE_decoys.pdbqt | data/1A/1AMU-PHE/1AMU-PHE_decoy_scores.csv |
1ASD-MPL | data/1A/1ASD-MPL/1ASD-MPL_ligand.pdbqt | data/1A/1ASD-MPL/1ASD-MPL_target.pdbqt | data/1A/1ASD-MPL/1ASD-MPL_decoys.pdbqt | data/1A/1ASD-MPL/1ASD-MPL_decoy_scores.csv |
1AD4-HH2 | data/1A/1AD4-HH2/1AD4-HH2_ligand.pdbqt | data/1A/1AD4-HH2/1AD4-HH2_target.pdbqt | data/1A/1AD4-HH2/1AD4-HH2_decoys.pdbqt | data/1A/1AD4-HH2/1AD4-HH2_decoy_scores.csv |
1APW-HSY | data/1A/1APW-HSY/1APW-HSY_ligand.pdbqt | data/1A/1APW-HSY/1APW-HSY_target.pdbqt | data/1A/1APW-HSY/1APW-HSY_decoys.pdbqt | data/1A/1APW-HSY/1APW-HSY_decoy_scores.csv |
1A96-PCP | data/1A/1A96-PCP/1A96-PCP_ligand.pdbqt | data/1A/1A96-PCP/1A96-PCP_target.pdbqt | null | null |
1AQ2-ATP | data/1A/1AQ2-ATP/1AQ2-ATP_ligand.pdbqt | data/1A/1AQ2-ATP/1AQ2-ATP_target.pdbqt | data/1A/1AQ2-ATP/1AQ2-ATP_decoys.pdbqt | data/1A/1AQ2-ATP/1AQ2-ATP_decoy_scores.csv |
1AH5-DPM | data/1A/1AH5-DPM/1AH5-DPM_ligand.pdbqt | data/1A/1AH5-DPM/1AH5-DPM_target.pdbqt | data/1A/1AH5-DPM/1AH5-DPM_decoys.pdbqt | data/1A/1AH5-DPM/1AH5-DPM_decoy_scores.csv |
1AHT-APA | data/1A/1AHT-APA/1AHT-APA_ligand.pdbqt | data/1A/1AHT-APA/1AHT-APA_target.pdbqt | data/1A/1AHT-APA/1AHT-APA_decoys.pdbqt | data/1A/1AHT-APA/1AHT-APA_decoy_scores.csv |
1AXA-U0E | data/1A/1AXA-U0E/1AXA-U0E_ligand.pdbqt | data/1A/1AXA-U0E/1AXA-U0E_target.pdbqt | data/1A/1AXA-U0E/1AXA-U0E_decoys.pdbqt | data/1A/1AXA-U0E/1AXA-U0E_decoy_scores.csv |
1AE4-TOL | data/1A/1AE4-TOL/1AE4-TOL_ligand.pdbqt | data/1A/1AE4-TOL/1AE4-TOL_target.pdbqt | data/1A/1AE4-TOL/1AE4-TOL_decoys.pdbqt | data/1A/1AE4-TOL/1AE4-TOL_decoy_scores.csv |
1AMW-ADP | data/1A/1AMW-ADP/1AMW-ADP_ligand.pdbqt | data/1A/1AMW-ADP/1AMW-ADP_target.pdbqt | data/1A/1AMW-ADP/1AMW-ADP_decoys.pdbqt | data/1A/1AMW-ADP/1AMW-ADP_decoy_scores.csv |
1A9R-HPA | data/1A/1A9R-HPA/1A9R-HPA_ligand.pdbqt | data/1A/1A9R-HPA/1A9R-HPA_target.pdbqt | data/1A/1A9R-HPA/1A9R-HPA_decoys.pdbqt | data/1A/1A9R-HPA/1A9R-HPA_decoy_scores.csv |
1A5Z-NAD | data/1A/1A5Z-NAD/1A5Z-NAD_ligand.pdbqt | data/1A/1A5Z-NAD/1A5Z-NAD_target.pdbqt | data/1A/1A5Z-NAD/1A5Z-NAD_decoys.pdbqt | data/1A/1A5Z-NAD/1A5Z-NAD_decoy_scores.csv |
1ATS-ADP | data/1A/1ATS-ADP/1ATS-ADP_ligand.pdbqt | data/1A/1ATS-ADP/1ATS-ADP_target.pdbqt | data/1A/1ATS-ADP/1ATS-ADP_decoys.pdbqt | data/1A/1ATS-ADP/1ATS-ADP_decoy_scores.csv |
1AA1-3PG | data/1A/1AA1-3PG/1AA1-3PG_ligand.pdbqt | data/1A/1AA1-3PG/1AA1-3PG_target.pdbqt | data/1A/1AA1-3PG/1AA1-3PG_decoys.pdbqt | data/1A/1AA1-3PG/1AA1-3PG_decoy_scores.csv |
1A46-00K | data/1A/1A46-00K/1A46-00K_ligand.pdbqt | data/1A/1A46-00K/1A46-00K_target.pdbqt | data/1A/1A46-00K/1A46-00K_decoys.pdbqt | data/1A/1A46-00K/1A46-00K_decoy_scores.csv |
1AGP-GNP | data/1A/1AGP-GNP/1AGP-GNP_ligand.pdbqt | data/1A/1AGP-GNP/1AGP-GNP_target.pdbqt | data/1A/1AGP-GNP/1AGP-GNP_decoys.pdbqt | data/1A/1AGP-GNP/1AGP-GNP_decoy_scores.csv |
1A5U-ATP | data/1A/1A5U-ATP/1A5U-ATP_ligand.pdbqt | data/1A/1A5U-ATP/1A5U-ATP_target.pdbqt | data/1A/1A5U-ATP/1A5U-ATP_decoys.pdbqt | data/1A/1A5U-ATP/1A5U-ATP_decoy_scores.csv |
1AHX-HCI | data/1A/1AHX-HCI/1AHX-HCI_ligand.pdbqt | data/1A/1AHX-HCI/1AHX-HCI_target.pdbqt | data/1A/1AHX-HCI/1AHX-HCI_decoys.pdbqt | data/1A/1AHX-HCI/1AHX-HCI_decoy_scores.csv |
1AMA-PLA | data/1A/1AMA-PLA/1AMA-PLA_ligand.pdbqt | data/1A/1AMA-PLA/1AMA-PLA_target.pdbqt | data/1A/1AMA-PLA/1AMA-PLA_decoys.pdbqt | data/1A/1AMA-PLA/1AMA-PLA_decoy_scores.csv |
1AH0-SBI | data/1A/1AH0-SBI/1AH0-SBI_ligand.pdbqt | data/1A/1AH0-SBI/1AH0-SBI_target.pdbqt | data/1A/1AH0-SBI/1AH0-SBI_decoys.pdbqt | data/1A/1AH0-SBI/1AH0-SBI_decoy_scores.csv |
1A3T-THP | data/1A/1A3T-THP/1A3T-THP_ligand.pdbqt | data/1A/1A3T-THP/1A3T-THP_target.pdbqt | data/1A/1A3T-THP/1A3T-THP_decoys.pdbqt | data/1A/1A3T-THP/1A3T-THP_decoy_scores.csv |
1AJ7-NPE | data/1A/1AJ7-NPE/1AJ7-NPE_ligand.pdbqt | data/1A/1AJ7-NPE/1AJ7-NPE_target.pdbqt | data/1A/1AJ7-NPE/1AJ7-NPE_decoys.pdbqt | data/1A/1AJ7-NPE/1AJ7-NPE_decoy_scores.csv |
1AE8-AZL | data/1A/1AE8-AZL/1AE8-AZL_ligand.pdbqt | data/1A/1AE8-AZL/1AE8-AZL_target.pdbqt | data/1A/1AE8-AZL/1AE8-AZL_decoys.pdbqt | data/1A/1AE8-AZL/1AE8-AZL_decoy_scores.csv |
1AFQ-0FG | data/1A/1AFQ-0FG/1AFQ-0FG_ligand.pdbqt | data/1A/1AFQ-0FG/1AFQ-0FG_target.pdbqt | data/1A/1AFQ-0FG/1AFQ-0FG_decoys.pdbqt | data/1A/1AFQ-0FG/1AFQ-0FG_decoy_scores.csv |
1A27-EST | data/1A/1A27-EST/1A27-EST_ligand.pdbqt | data/1A/1A27-EST/1A27-EST_target.pdbqt | data/1A/1A27-EST/1A27-EST_decoys.pdbqt | data/1A/1A27-EST/1A27-EST_decoy_scores.csv |
1ANE-BEN | data/1A/1ANE-BEN/1ANE-BEN_ligand.pdbqt | data/1A/1ANE-BEN/1ANE-BEN_target.pdbqt | data/1A/1ANE-BEN/1ANE-BEN_decoys.pdbqt | data/1A/1ANE-BEN/1ANE-BEN_decoy_scores.csv |
1A61-00N | data/1A/1A61-00N/1A61-00N_ligand.pdbqt | data/1A/1A61-00N/1A61-00N_target.pdbqt | data/1A/1A61-00N/1A61-00N_decoys.pdbqt | data/1A/1A61-00N/1A61-00N_decoy_scores.csv |
1ADL-ACD | data/1A/1ADL-ACD/1ADL-ACD_ligand.pdbqt | data/1A/1ADL-ACD/1ADL-ACD_target.pdbqt | data/1A/1ADL-ACD/1ADL-ACD_decoys.pdbqt | data/1A/1ADL-ACD/1ADL-ACD_decoy_scores.csv |
1AOE-GW3 | data/1A/1AOE-GW3/1AOE-GW3_ligand.pdbqt | data/1A/1AOE-GW3/1AOE-GW3_target.pdbqt | data/1A/1AOE-GW3/1AOE-GW3_decoys.pdbqt | data/1A/1AOE-GW3/1AOE-GW3_decoy_scores.csv |
1ATL-0QI | data/1A/1ATL-0QI/1ATL-0QI_ligand.pdbqt | data/1A/1ATL-0QI/1ATL-0QI_target.pdbqt | data/1A/1ATL-0QI/1ATL-0QI_decoys.pdbqt | data/1A/1ATL-0QI/1ATL-0QI_decoy_scores.csv |
1ANK-AMP | data/1A/1ANK-AMP/1ANK-AMP_ligand.pdbqt | data/1A/1ANK-AMP/1ANK-AMP_target.pdbqt | data/1A/1ANK-AMP/1ANK-AMP_decoys.pdbqt | data/1A/1ANK-AMP/1ANK-AMP_decoy_scores.csv |
1AL8-DHP | data/1A/1AL8-DHP/1AL8-DHP_ligand.pdbqt | data/1A/1AL8-DHP/1AL8-DHP_target.pdbqt | data/1A/1AL8-DHP/1AL8-DHP_decoys.pdbqt | data/1A/1AL8-DHP/1AL8-DHP_decoy_scores.csv |
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