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 ⌀ |
|---|---|---|---|---|
2PJ3-86A | data/2P/2PJ3-86A/2PJ3-86A_ligand.pdbqt | data/2P/2PJ3-86A/2PJ3-86A_target.pdbqt | data/2P/2PJ3-86A/2PJ3-86A_decoys.pdbqt | data/2P/2PJ3-86A/2PJ3-86A_decoy_scores.csv |
2P8B-NSK | data/2P/2P8B-NSK/2P8B-NSK_ligand.pdbqt | data/2P/2P8B-NSK/2P8B-NSK_target.pdbqt | data/2P/2P8B-NSK/2P8B-NSK_decoys.pdbqt | data/2P/2P8B-NSK/2P8B-NSK_decoy_scores.csv |
2PW0-TRC | data/2P/2PW0-TRC/2PW0-TRC_ligand.pdbqt | data/2P/2PW0-TRC/2PW0-TRC_target.pdbqt | data/2P/2PW0-TRC/2PW0-TRC_decoys.pdbqt | data/2P/2PW0-TRC/2PW0-TRC_decoy_scores.csv |
2PB1-NFG | data/2P/2PB1-NFG/2PB1-NFG_ligand.pdbqt | data/2P/2PB1-NFG/2PB1-NFG_target.pdbqt | data/2P/2PB1-NFG/2PB1-NFG_decoys.pdbqt | data/2P/2PB1-NFG/2PB1-NFG_decoy_scores.csv |
2PK3-GDD | data/2P/2PK3-GDD/2PK3-GDD_ligand.pdbqt | data/2P/2PK3-GDD/2PK3-GDD_target.pdbqt | data/2P/2PK3-GDD/2PK3-GDD_decoys.pdbqt | data/2P/2PK3-GDD/2PK3-GDD_decoy_scores.csv |
2PYN-1UN | data/2P/2PYN-1UN/2PYN-1UN_ligand.pdbqt | data/2P/2PYN-1UN/2PYN-1UN_target.pdbqt | data/2P/2PYN-1UN/2PYN-1UN_decoys.pdbqt | data/2P/2PYN-1UN/2PYN-1UN_decoy_scores.csv |
2PDH-47D | data/2P/2PDH-47D/2PDH-47D_ligand.pdbqt | data/2P/2PDH-47D/2PDH-47D_target.pdbqt | data/2P/2PDH-47D/2PDH-47D_decoys.pdbqt | data/2P/2PDH-47D/2PDH-47D_decoy_scores.csv |
2PQB-GG9 | data/2P/2PQB-GG9/2PQB-GG9_ligand.pdbqt | data/2P/2PQB-GG9/2PQB-GG9_target.pdbqt | data/2P/2PQB-GG9/2PQB-GG9_decoys.pdbqt | data/2P/2PQB-GG9/2PQB-GG9_decoy_scores.csv |
2P7T-F09 | data/2P/2P7T-F09/2P7T-F09_ligand.pdbqt | data/2P/2P7T-F09/2P7T-F09_target.pdbqt | data/2P/2P7T-F09/2P7T-F09_decoys.pdbqt | data/2P/2P7T-F09/2P7T-F09_decoy_scores.csv |
2PWG-CTS | data/2P/2PWG-CTS/2PWG-CTS_ligand.pdbqt | data/2P/2PWG-CTS/2PWG-CTS_target.pdbqt | data/2P/2PWG-CTS/2PWG-CTS_decoys.pdbqt | data/2P/2PWG-CTS/2PWG-CTS_decoy_scores.csv |
2PUT-UD1 | data/2P/2PUT-UD1/2PUT-UD1_ligand.pdbqt | data/2P/2PUT-UD1/2PUT-UD1_target.pdbqt | data/2P/2PUT-UD1/2PUT-UD1_decoys.pdbqt | data/2P/2PUT-UD1/2PUT-UD1_decoy_scores.csv |
2PWS-IBP | data/2P/2PWS-IBP/2PWS-IBP_ligand.pdbqt | data/2P/2PWS-IBP/2PWS-IBP_target.pdbqt | data/2P/2PWS-IBP/2PWS-IBP_decoys.pdbqt | data/2P/2PWS-IBP/2PWS-IBP_decoy_scores.csv |
2PDC-393 | data/2P/2PDC-393/2PDC-393_ligand.pdbqt | data/2P/2PDC-393/2PDC-393_target.pdbqt | data/2P/2PDC-393/2PDC-393_decoys.pdbqt | data/2P/2PDC-393/2PDC-393_decoy_scores.csv |
2PUN-SR1 | data/2P/2PUN-SR1/2PUN-SR1_ligand.pdbqt | data/2P/2PUN-SR1/2PUN-SR1_target.pdbqt | data/2P/2PUN-SR1/2PUN-SR1_decoys.pdbqt | data/2P/2PUN-SR1/2PUN-SR1_decoy_scores.csv |
2PU4-OX7 | data/2P/2PU4-OX7/2PU4-OX7_ligand.pdbqt | data/2P/2PU4-OX7/2PU4-OX7_target.pdbqt | data/2P/2PU4-OX7/2PU4-OX7_decoys.pdbqt | data/2P/2PU4-OX7/2PU4-OX7_decoy_scores.csv |
2PT6-S4M | data/2P/2PT6-S4M/2PT6-S4M_ligand.pdbqt | data/2P/2PT6-S4M/2PT6-S4M_target.pdbqt | data/2P/2PT6-S4M/2PT6-S4M_decoys.pdbqt | data/2P/2PT6-S4M/2PT6-S4M_decoy_scores.csv |
2P9A-YE6 | data/2P/2P9A-YE6/2P9A-YE6_ligand.pdbqt | data/2P/2P9A-YE6/2P9A-YE6_target.pdbqt | data/2P/2P9A-YE6/2P9A-YE6_decoys.pdbqt | data/2P/2P9A-YE6/2P9A-YE6_decoy_scores.csv |
2PSM-BEN | data/2P/2PSM-BEN/2PSM-BEN_ligand.pdbqt | data/2P/2PSM-BEN/2PSM-BEN_target.pdbqt | data/2P/2PSM-BEN/2PSM-BEN_decoys.pdbqt | data/2P/2PSM-BEN/2PSM-BEN_decoy_scores.csv |
2PSS-1PG | data/2P/2PSS-1PG/2PSS-1PG_ligand.pdbqt | data/2P/2PSS-1PG/2PSS-1PG_target.pdbqt | data/2P/2PSS-1PG/2PSS-1PG_decoys.pdbqt | data/2P/2PSS-1PG/2PSS-1PG_decoy_scores.csv |
2PQ9-GG9 | data/2P/2PQ9-GG9/2PQ9-GG9_ligand.pdbqt | data/2P/2PQ9-GG9/2PQ9-GG9_target.pdbqt | data/2P/2PQ9-GG9/2PQ9-GG9_decoys.pdbqt | data/2P/2PQ9-GG9/2PQ9-GG9_decoy_scores.csv |
2PNR-RED | data/2P/2PNR-RED/2PNR-RED_ligand.pdbqt | data/2P/2PNR-RED/2PNR-RED_target.pdbqt | data/2P/2PNR-RED/2PNR-RED_decoys.pdbqt | data/2P/2PNR-RED/2PNR-RED_decoy_scores.csv |
2PLK-P3D | data/2P/2PLK-P3D/2PLK-P3D_ligand.pdbqt | data/2P/2PLK-P3D/2PLK-P3D_target.pdbqt | data/2P/2PLK-P3D/2PLK-P3D_decoys.pdbqt | data/2P/2PLK-P3D/2PLK-P3D_decoy_scores.csv |
2PMP-C5P | data/2P/2PMP-C5P/2PMP-C5P_ligand.pdbqt | data/2P/2PMP-C5P/2PMP-C5P_target.pdbqt | data/2P/2PMP-C5P/2PMP-C5P_decoys.pdbqt | data/2P/2PMP-C5P/2PMP-C5P_decoy_scores.csv |
2P4Y-C03 | data/2P/2P4Y-C03/2P4Y-C03_ligand.pdbqt | data/2P/2P4Y-C03/2P4Y-C03_target.pdbqt | data/2P/2P4Y-C03/2P4Y-C03_decoys.pdbqt | data/2P/2P4Y-C03/2P4Y-C03_decoy_scores.csv |
2PZ8-APC | data/2P/2PZ8-APC/2PZ8-APC_ligand.pdbqt | data/2P/2PZ8-APC/2PZ8-APC_target.pdbqt | data/2P/2PZ8-APC/2PZ8-APC_decoys.pdbqt | data/2P/2PZ8-APC/2PZ8-APC_decoy_scores.csv |
2P5U-NAD | data/2P/2P5U-NAD/2P5U-NAD_ligand.pdbqt | data/2P/2P5U-NAD/2P5U-NAD_target.pdbqt | data/2P/2P5U-NAD/2P5U-NAD_decoys.pdbqt | data/2P/2P5U-NAD/2P5U-NAD_decoy_scores.csv |
2PIQ-DHT | data/2P/2PIQ-DHT/2PIQ-DHT_ligand.pdbqt | data/2P/2PIQ-DHT/2PIQ-DHT_target.pdbqt | data/2P/2PIQ-DHT/2PIQ-DHT_decoys.pdbqt | data/2P/2PIQ-DHT/2PIQ-DHT_decoy_scores.csv |
2PSJ-CEI | data/2P/2PSJ-CEI/2PSJ-CEI_ligand.pdbqt | data/2P/2PSJ-CEI/2PSJ-CEI_target.pdbqt | data/2P/2PSJ-CEI/2PSJ-CEI_decoys.pdbqt | data/2P/2PSJ-CEI/2PSJ-CEI_decoy_scores.csv |
2PGJ-N1C | data/2P/2PGJ-N1C/2PGJ-N1C_ligand.pdbqt | data/2P/2PGJ-N1C/2PGJ-N1C_target.pdbqt | data/2P/2PGJ-N1C/2PGJ-N1C_decoys.pdbqt | data/2P/2PGJ-N1C/2PGJ-N1C_decoy_scores.csv |
2P2B-PRX | data/2P/2P2B-PRX/2P2B-PRX_ligand.pdbqt | data/2P/2P2B-PRX/2P2B-PRX_target.pdbqt | data/2P/2P2B-PRX/2P2B-PRX_decoys.pdbqt | data/2P/2P2B-PRX/2P2B-PRX_decoy_scores.csv |
2PNZ-5GP | data/2P/2PNZ-5GP/2PNZ-5GP_ligand.pdbqt | data/2P/2PNZ-5GP/2PNZ-5GP_target.pdbqt | data/2P/2PNZ-5GP/2PNZ-5GP_decoys.pdbqt | data/2P/2PNZ-5GP/2PNZ-5GP_decoy_scores.csv |
2PO0-ADP | data/2P/2PO0-ADP/2PO0-ADP_ligand.pdbqt | data/2P/2PO0-ADP/2PO0-ADP_target.pdbqt | data/2P/2PO0-ADP/2PO0-ADP_decoys.pdbqt | data/2P/2PO0-ADP/2PO0-ADP_decoy_scores.csv |
2P4I-MR9 | data/2P/2P4I-MR9/2P4I-MR9_ligand.pdbqt | data/2P/2P4I-MR9/2P4I-MR9_target.pdbqt | data/2P/2P4I-MR9/2P4I-MR9_decoys.pdbqt | data/2P/2P4I-MR9/2P4I-MR9_decoy_scores.csv |
2PIP-K10 | data/2P/2PIP-K10/2PIP-K10_ligand.pdbqt | data/2P/2PIP-K10/2PIP-K10_target.pdbqt | data/2P/2PIP-K10/2PIP-K10_decoys.pdbqt | data/2P/2PIP-K10/2PIP-K10_decoy_scores.csv |
2PZA-AMP | data/2P/2PZA-AMP/2PZA-AMP_ligand.pdbqt | data/2P/2PZA-AMP/2PZA-AMP_target.pdbqt | data/2P/2PZA-AMP/2PZA-AMP_decoys.pdbqt | data/2P/2PZA-AMP/2PZA-AMP_decoy_scores.csv |
2P1P-IAC | data/2P/2P1P-IAC/2P1P-IAC_ligand.pdbqt | data/2P/2P1P-IAC/2P1P-IAC_target.pdbqt | data/2P/2P1P-IAC/2P1P-IAC_decoys.pdbqt | data/2P/2P1P-IAC/2P1P-IAC_decoy_scores.csv |
2PX5-SAH | data/2P/2PX5-SAH/2PX5-SAH_ligand.pdbqt | data/2P/2PX5-SAH/2PX5-SAH_target.pdbqt | data/2P/2PX5-SAH/2PX5-SAH_decoys.pdbqt | data/2P/2PX5-SAH/2PX5-SAH_decoy_scores.csv |
2P95-ME5 | data/2P/2P95-ME5/2P95-ME5_ligand.pdbqt | data/2P/2P95-ME5/2P95-ME5_target.pdbqt | data/2P/2P95-ME5/2P95-ME5_decoys.pdbqt | data/2P/2P95-ME5/2P95-ME5_decoy_scores.csv |
2PUV-UD1 | data/2P/2PUV-UD1/2PUV-UD1_ligand.pdbqt | data/2P/2PUV-UD1/2PUV-UD1_target.pdbqt | data/2P/2PUV-UD1/2PUV-UD1_decoys.pdbqt | data/2P/2PUV-UD1/2PUV-UD1_decoy_scores.csv |
2PD4-NAD | data/2P/2PD4-NAD/2PD4-NAD_ligand.pdbqt | data/2P/2PD4-NAD/2PD4-NAD_target.pdbqt | data/2P/2PD4-NAD/2PD4-NAD_decoys.pdbqt | data/2P/2PD4-NAD/2PD4-NAD_decoy_scores.csv |
2PUN-CPS | data/2P/2PUN-CPS/2PUN-CPS_ligand.pdbqt | data/2P/2PUN-CPS/2PUN-CPS_target.pdbqt | data/2P/2PUN-CPS/2PUN-CPS_decoys.pdbqt | data/2P/2PUN-CPS/2PUN-CPS_decoy_scores.csv |
2P20-PRX | data/2P/2P20-PRX/2P20-PRX_ligand.pdbqt | data/2P/2P20-PRX/2P20-PRX_target.pdbqt | data/2P/2P20-PRX/2P20-PRX_decoys.pdbqt | data/2P/2P20-PRX/2P20-PRX_decoy_scores.csv |
2PNJ-CHD | data/2P/2PNJ-CHD/2PNJ-CHD_ligand.pdbqt | data/2P/2PNJ-CHD/2PNJ-CHD_target.pdbqt | data/2P/2PNJ-CHD/2PNJ-CHD_decoys.pdbqt | data/2P/2PNJ-CHD/2PNJ-CHD_decoy_scores.csv |
2P2M-PRX | data/2P/2P2M-PRX/2P2M-PRX_ligand.pdbqt | data/2P/2P2M-PRX/2P2M-PRX_target.pdbqt | data/2P/2P2M-PRX/2P2M-PRX_decoys.pdbqt | data/2P/2P2M-PRX/2P2M-PRX_decoy_scores.csv |
2PX6-DH9 | data/2P/2PX6-DH9/2PX6-DH9_ligand.pdbqt | data/2P/2PX6-DH9/2PX6-DH9_target.pdbqt | data/2P/2PX6-DH9/2PX6-DH9_decoys.pdbqt | data/2P/2PX6-DH9/2PX6-DH9_decoy_scores.csv |
2PD9-FID | data/2P/2PD9-FID/2PD9-FID_ligand.pdbqt | data/2P/2PD9-FID/2PD9-FID_target.pdbqt | data/2P/2PD9-FID/2PD9-FID_decoys.pdbqt | data/2P/2PD9-FID/2PD9-FID_decoy_scores.csv |
2PXX-SAH | data/2P/2PXX-SAH/2PXX-SAH_ligand.pdbqt | data/2P/2PXX-SAH/2PXX-SAH_target.pdbqt | data/2P/2PXX-SAH/2PXX-SAH_decoys.pdbqt | data/2P/2PXX-SAH/2PXX-SAH_decoy_scores.csv |
2PUI-ADP | data/2P/2PUI-ADP/2PUI-ADP_ligand.pdbqt | data/2P/2PUI-ADP/2PUI-ADP_target.pdbqt | data/2P/2PUI-ADP/2PUI-ADP_decoys.pdbqt | data/2P/2PUI-ADP/2PUI-ADP_decoy_scores.csv |
2PZF-ATP | data/2P/2PZF-ATP/2PZF-ATP_ligand.pdbqt | data/2P/2PZF-ATP/2PZF-ATP_target.pdbqt | data/2P/2PZF-ATP/2PZF-ATP_decoys.pdbqt | data/2P/2PZF-ATP/2PZF-ATP_decoy_scores.csv |
2PFE-AES | data/2P/2PFE-AES/2PFE-AES_ligand.pdbqt | data/2P/2PFE-AES/2PFE-AES_target.pdbqt | data/2P/2PFE-AES/2PFE-AES_decoys.pdbqt | data/2P/2PFE-AES/2PFE-AES_decoy_scores.csv |
2PDP-393 | data/2P/2PDP-393/2PDP-393_ligand.pdbqt | data/2P/2PDP-393/2PDP-393_target.pdbqt | data/2P/2PDP-393/2PDP-393_decoys.pdbqt | data/2P/2PDP-393/2PDP-393_decoy_scores.csv |
2PYU-IMP | data/2P/2PYU-IMP/2PYU-IMP_ligand.pdbqt | data/2P/2PYU-IMP/2PYU-IMP_target.pdbqt | data/2P/2PYU-IMP/2PYU-IMP_decoys.pdbqt | data/2P/2PYU-IMP/2PYU-IMP_decoy_scores.csv |
2PTR-2SA | data/2P/2PTR-2SA/2PTR-2SA_ligand.pdbqt | data/2P/2PTR-2SA/2PTR-2SA_target.pdbqt | data/2P/2PTR-2SA/2PTR-2SA_decoys.pdbqt | data/2P/2PTR-2SA/2PTR-2SA_decoy_scores.csv |
2PE0-39Z | data/2P/2PE0-39Z/2PE0-39Z_ligand.pdbqt | data/2P/2PE0-39Z/2PE0-39Z_target.pdbqt | data/2P/2PE0-39Z/2PE0-39Z_decoys.pdbqt | data/2P/2PE0-39Z/2PE0-39Z_decoy_scores.csv |
2PDJ-393 | data/2P/2PDJ-393/2PDJ-393_ligand.pdbqt | data/2P/2PDJ-393/2PDJ-393_target.pdbqt | data/2P/2PDJ-393/2PDJ-393_decoys.pdbqt | data/2P/2PDJ-393/2PDJ-393_decoy_scores.csv |
2PZK-NAD | data/2P/2PZK-NAD/2PZK-NAD_ligand.pdbqt | data/2P/2PZK-NAD/2PZK-NAD_target.pdbqt | data/2P/2PZK-NAD/2PZK-NAD_decoys.pdbqt | data/2P/2PZK-NAD/2PZK-NAD_decoy_scores.csv |
2PRL-FMN | data/2P/2PRL-FMN/2PRL-FMN_ligand.pdbqt | data/2P/2PRL-FMN/2PRL-FMN_target.pdbqt | data/2P/2PRL-FMN/2PRL-FMN_decoys.pdbqt | data/2P/2PRL-FMN/2PRL-FMN_decoy_scores.csv |
2PUN-ACP | data/2P/2PUN-ACP/2PUN-ACP_ligand.pdbqt | data/2P/2PUN-ACP/2PUN-ACP_target.pdbqt | data/2P/2PUN-ACP/2PUN-ACP_decoys.pdbqt | data/2P/2PUN-ACP/2PUN-ACP_decoy_scores.csv |
2P0H-I3S | data/2P/2P0H-I3S/2P0H-I3S_ligand.pdbqt | data/2P/2P0H-I3S/2P0H-I3S_target.pdbqt | data/2P/2P0H-I3S/2P0H-I3S_decoys.pdbqt | data/2P/2P0H-I3S/2P0H-I3S_decoy_scores.csv |
2POB-GW4 | data/2P/2POB-GW4/2POB-GW4_ligand.pdbqt | data/2P/2POB-GW4/2POB-GW4_target.pdbqt | data/2P/2POB-GW4/2POB-GW4_decoys.pdbqt | data/2P/2POB-GW4/2POB-GW4_decoy_scores.csv |
2PVN-P63 | data/2P/2PVN-P63/2PVN-P63_ligand.pdbqt | data/2P/2PVN-P63/2PVN-P63_target.pdbqt | data/2P/2PVN-P63/2PVN-P63_decoys.pdbqt | data/2P/2PVN-P63/2PVN-P63_decoy_scores.csv |
2PBZ-ATP | data/2P/2PBZ-ATP/2PBZ-ATP_ligand.pdbqt | data/2P/2PBZ-ATP/2PBZ-ATP_target.pdbqt | data/2P/2PBZ-ATP/2PBZ-ATP_decoys.pdbqt | data/2P/2PBZ-ATP/2PBZ-ATP_decoy_scores.csv |
2P2L-GDP | data/2P/2P2L-GDP/2P2L-GDP_ligand.pdbqt | data/2P/2P2L-GDP/2P2L-GDP_target.pdbqt | data/2P/2P2L-GDP/2P2L-GDP_decoys.pdbqt | data/2P/2P2L-GDP/2P2L-GDP_decoy_scores.csv |
2PD6-NAD | data/2P/2PD6-NAD/2PD6-NAD_ligand.pdbqt | data/2P/2PD6-NAD/2PD6-NAD_target.pdbqt | data/2P/2PD6-NAD/2PD6-NAD_decoys.pdbqt | data/2P/2PD6-NAD/2PD6-NAD_decoy_scores.csv |
2PAU-D5M | data/2P/2PAU-D5M/2PAU-D5M_ligand.pdbqt | data/2P/2PAU-D5M/2PAU-D5M_target.pdbqt | data/2P/2PAU-D5M/2PAU-D5M_decoys.pdbqt | data/2P/2PAU-D5M/2PAU-D5M_decoy_scores.csv |
2PF8-LDT | data/2P/2PF8-LDT/2PF8-LDT_ligand.pdbqt | data/2P/2PF8-LDT/2PF8-LDT_target.pdbqt | data/2P/2PF8-LDT/2PF8-LDT_decoys.pdbqt | data/2P/2PF8-LDT/2PF8-LDT_decoy_scores.csv |
2PID-YSA | data/2P/2PID-YSA/2PID-YSA_ligand.pdbqt | data/2P/2PID-YSA/2PID-YSA_target.pdbqt | data/2P/2PID-YSA/2PID-YSA_decoys.pdbqt | data/2P/2PID-YSA/2PID-YSA_decoy_scores.csv |
2PD3-TCL | data/2P/2PD3-TCL/2PD3-TCL_ligand.pdbqt | data/2P/2PD3-TCL/2PD3-TCL_target.pdbqt | data/2P/2PD3-TCL/2PD3-TCL_decoys.pdbqt | data/2P/2PD3-TCL/2PD3-TCL_decoy_scores.csv |
2P1P-IHP | data/2P/2P1P-IHP/2P1P-IHP_ligand.pdbqt | data/2P/2P1P-IHP/2P1P-IHP_target.pdbqt | data/2P/2P1P-IHP/2P1P-IHP_decoys.pdbqt | data/2P/2P1P-IHP/2P1P-IHP_decoy_scores.csv |
2PE1-517 | data/2P/2PE1-517/2PE1-517_ligand.pdbqt | data/2P/2PE1-517/2PE1-517_target.pdbqt | data/2P/2PE1-517/2PE1-517_decoys.pdbqt | data/2P/2PE1-517/2PE1-517_decoy_scores.csv |
2PDF-ZST | data/2P/2PDF-ZST/2PDF-ZST_ligand.pdbqt | data/2P/2PDF-ZST/2PDF-ZST_target.pdbqt | data/2P/2PDF-ZST/2PDF-ZST_decoys.pdbqt | data/2P/2PDF-ZST/2PDF-ZST_decoy_scores.csv |
2PMJ-COU | data/2P/2PMJ-COU/2PMJ-COU_ligand.pdbqt | data/2P/2PMJ-COU/2PMJ-COU_target.pdbqt | data/2P/2PMJ-COU/2PMJ-COU_decoys.pdbqt | data/2P/2PMJ-COU/2PMJ-COU_decoy_scores.csv |
2PY3-ACP | data/2P/2PY3-ACP/2PY3-ACP_ligand.pdbqt | data/2P/2PY3-ACP/2PY3-ACP_target.pdbqt | data/2P/2PY3-ACP/2PY3-ACP_decoys.pdbqt | data/2P/2PY3-ACP/2PY3-ACP_decoy_scores.csv |
2PGT-GPR | data/2P/2PGT-GPR/2PGT-GPR_ligand.pdbqt | data/2P/2PGT-GPR/2PGT-GPR_target.pdbqt | data/2P/2PGT-GPR/2PGT-GPR_decoys.pdbqt | data/2P/2PGT-GPR/2PGT-GPR_decoy_scores.csv |
2PCA-SAH | data/2P/2PCA-SAH/2PCA-SAH_ligand.pdbqt | data/2P/2PCA-SAH/2PCA-SAH_target.pdbqt | data/2P/2PCA-SAH/2PCA-SAH_decoys.pdbqt | data/2P/2PCA-SAH/2PCA-SAH_decoy_scores.csv |
2PUI-CPS | data/2P/2PUI-CPS/2PUI-CPS_ligand.pdbqt | data/2P/2PUI-CPS/2PUI-CPS_target.pdbqt | data/2P/2PUI-CPS/2PUI-CPS_decoys.pdbqt | data/2P/2PUI-CPS/2PUI-CPS_decoy_scores.csv |
2PD3-NAD | data/2P/2PD3-NAD/2PD3-NAD_ligand.pdbqt | data/2P/2PD3-NAD/2PD3-NAD_target.pdbqt | data/2P/2PD3-NAD/2PD3-NAD_decoys.pdbqt | data/2P/2PD3-NAD/2PD3-NAD_decoy_scores.csv |
2PKL-DHT | data/2P/2PKL-DHT/2PKL-DHT_ligand.pdbqt | data/2P/2PKL-DHT/2PKL-DHT_target.pdbqt | data/2P/2PKL-DHT/2PKL-DHT_decoys.pdbqt | data/2P/2PKL-DHT/2PKL-DHT_decoy_scores.csv |
2P3T-993 | data/2P/2P3T-993/2P3T-993_ligand.pdbqt | data/2P/2P3T-993/2P3T-993_target.pdbqt | data/2P/2P3T-993/2P3T-993_decoys.pdbqt | data/2P/2P3T-993/2P3T-993_decoy_scores.csv |
2PRG-BRL | data/2P/2PRG-BRL/2PRG-BRL_ligand.pdbqt | data/2P/2PRG-BRL/2PRG-BRL_target.pdbqt | data/2P/2PRG-BRL/2PRG-BRL_decoys.pdbqt | data/2P/2PRG-BRL/2PRG-BRL_decoy_scores.csv |
2PJA-33Z | data/2P/2PJA-33Z/2PJA-33Z_ligand.pdbqt | data/2P/2PJA-33Z/2PJA-33Z_target.pdbqt | data/2P/2PJA-33Z/2PJA-33Z_decoys.pdbqt | data/2P/2PJA-33Z/2PJA-33Z_decoy_scores.csv |
2PY4-DUP | data/2P/2PY4-DUP/2PY4-DUP_ligand.pdbqt | data/2P/2PY4-DUP/2PY4-DUP_target.pdbqt | data/2P/2PY4-DUP/2PY4-DUP_decoys.pdbqt | data/2P/2PY4-DUP/2PY4-DUP_decoy_scores.csv |
2PO7-CHD | data/2P/2PO7-CHD/2PO7-CHD_ligand.pdbqt | data/2P/2PO7-CHD/2PO7-CHD_target.pdbqt | data/2P/2PO7-CHD/2PO7-CHD_decoys.pdbqt | data/2P/2PO7-CHD/2PO7-CHD_decoy_scores.csv |
2PL3-ADP | data/2P/2PL3-ADP/2PL3-ADP_ligand.pdbqt | data/2P/2PL3-ADP/2PL3-ADP_target.pdbqt | data/2P/2PL3-ADP/2PL3-ADP_decoys.pdbqt | data/2P/2PL3-ADP/2PL3-ADP_decoy_scores.csv |
2P4Q-FLC | data/2P/2P4Q-FLC/2P4Q-FLC_ligand.pdbqt | data/2P/2P4Q-FLC/2P4Q-FLC_target.pdbqt | data/2P/2P4Q-FLC/2P4Q-FLC_decoys.pdbqt | data/2P/2P4Q-FLC/2P4Q-FLC_decoy_scores.csv |
2PU4-OX6 | data/2P/2PU4-OX6/2PU4-OX6_ligand.pdbqt | data/2P/2PU4-OX6/2PU4-OX6_target.pdbqt | data/2P/2PU4-OX6/2PU4-OX6_decoys.pdbqt | data/2P/2PU4-OX6/2PU4-OX6_decoy_scores.csv |
2PTM-CMP | data/2P/2PTM-CMP/2PTM-CMP_ligand.pdbqt | data/2P/2PTM-CMP/2PTM-CMP_target.pdbqt | data/2P/2PTM-CMP/2PTM-CMP_decoys.pdbqt | data/2P/2PTM-CMP/2PTM-CMP_decoy_scores.csv |
2PIX-FLF | data/2P/2PIX-FLF/2PIX-FLF_ligand.pdbqt | data/2P/2PIX-FLF/2PIX-FLF_target.pdbqt | data/2P/2PIX-FLF/2PIX-FLF_decoys.pdbqt | data/2P/2PIX-FLF/2PIX-FLF_decoy_scores.csv |
2P7G-2OH | data/2P/2P7G-2OH/2P7G-2OH_ligand.pdbqt | data/2P/2P7G-2OH/2P7G-2OH_target.pdbqt | data/2P/2P7G-2OH/2P7G-2OH_decoys.pdbqt | data/2P/2P7G-2OH/2P7G-2OH_decoy_scores.csv |
2P02-SAM | data/2P/2P02-SAM/2P02-SAM_ligand.pdbqt | data/2P/2P02-SAM/2P02-SAM_target.pdbqt | data/2P/2P02-SAM/2P02-SAM_decoys.pdbqt | data/2P/2P02-SAM/2P02-SAM_decoy_scores.csv |
2PEZ-DAT | data/2P/2PEZ-DAT/2PEZ-DAT_ligand.pdbqt | data/2P/2PEZ-DAT/2PEZ-DAT_target.pdbqt | data/2P/2PEZ-DAT/2PEZ-DAT_decoys.pdbqt | data/2P/2PEZ-DAT/2PEZ-DAT_decoy_scores.csv |
2P2H-994 | data/2P/2P2H-994/2P2H-994_ligand.pdbqt | data/2P/2P2H-994/2P2H-994_target.pdbqt | data/2P/2P2H-994/2P2H-994_decoys.pdbqt | data/2P/2P2H-994/2P2H-994_decoy_scores.csv |
2P1M-IHP | data/2P/2P1M-IHP/2P1M-IHP_ligand.pdbqt | data/2P/2P1M-IHP/2P1M-IHP_target.pdbqt | data/2P/2P1M-IHP/2P1M-IHP_decoys.pdbqt | data/2P/2P1M-IHP/2P1M-IHP_decoy_scores.csv |
2P98-YE7 | data/2P/2P98-YE7/2P98-YE7_ligand.pdbqt | data/2P/2P98-YE7/2P98-YE7_target.pdbqt | data/2P/2P98-YE7/2P98-YE7_decoys.pdbqt | data/2P/2P98-YE7/2P98-YE7_decoy_scores.csv |
2PT9-1PG | data/2P/2PT9-1PG/2PT9-1PG_ligand.pdbqt | data/2P/2PT9-1PG/2PT9-1PG_target.pdbqt | data/2P/2PT9-1PG/2PT9-1PG_decoys.pdbqt | data/2P/2PT9-1PG/2PT9-1PG_decoy_scores.csv |
2POT-GUN | data/2P/2POT-GUN/2POT-GUN_ligand.pdbqt | data/2P/2POT-GUN/2POT-GUN_target.pdbqt | data/2P/2POT-GUN/2POT-GUN_decoys.pdbqt | data/2P/2POT-GUN/2POT-GUN_decoy_scores.csv |
2PCH-SAH | data/2P/2PCH-SAH/2PCH-SAH_ligand.pdbqt | data/2P/2PCH-SAH/2PCH-SAH_target.pdbqt | data/2P/2PCH-SAH/2PCH-SAH_decoys.pdbqt | data/2P/2PCH-SAH/2PCH-SAH_decoy_scores.csv |
2PJ7-235 | data/2P/2PJ7-235/2PJ7-235_ligand.pdbqt | data/2P/2PJ7-235/2PJ7-235_target.pdbqt | data/2P/2PJ7-235/2PJ7-235_decoys.pdbqt | data/2P/2PJ7-235/2PJ7-235_decoy_scores.csv |
2PO5-CHD | data/2P/2PO5-CHD/2PO5-CHD_ligand.pdbqt | data/2P/2PO5-CHD/2PO5-CHD_target.pdbqt | data/2P/2PO5-CHD/2PO5-CHD_decoys.pdbqt | data/2P/2PO5-CHD/2PO5-CHD_decoy_scores.csv |
2PAV-ATP | data/2P/2PAV-ATP/2PAV-ATP_ligand.pdbqt | data/2P/2PAV-ATP/2PAV-ATP_target.pdbqt | data/2P/2PAV-ATP/2PAV-ATP_decoys.pdbqt | data/2P/2PAV-ATP/2PAV-ATP_decoy_scores.csv |
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