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 ⌀ |
|---|---|---|---|---|
4OCJ-NDG | data/4O/4OCJ-NDG/4OCJ-NDG_ligand.pdbqt | data/4O/4OCJ-NDG/4OCJ-NDG_target.pdbqt | data/4O/4OCJ-NDG/4OCJ-NDG_decoys.pdbqt | data/4O/4OCJ-NDG/4OCJ-NDG_decoy_scores.csv |
4O1G-AGS | data/4O/4O1G-AGS/4O1G-AGS_ligand.pdbqt | data/4O/4O1G-AGS/4O1G-AGS_target.pdbqt | data/4O/4O1G-AGS/4O1G-AGS_decoys.pdbqt | data/4O/4O1G-AGS/4O1G-AGS_decoy_scores.csv |
4O3F-3PG | data/4O/4O3F-3PG/4O3F-3PG_ligand.pdbqt | data/4O/4O3F-3PG/4O3F-3PG_target.pdbqt | data/4O/4O3F-3PG/4O3F-3PG_decoys.pdbqt | data/4O/4O3F-3PG/4O3F-3PG_decoy_scores.csv |
4OTR-2V3 | data/4O/4OTR-2V3/4OTR-2V3_ligand.pdbqt | data/4O/4OTR-2V3/4OTR-2V3_target.pdbqt | data/4O/4OTR-2V3/4OTR-2V3_decoys.pdbqt | data/4O/4OTR-2V3/4OTR-2V3_decoy_scores.csv |
4OTI-MI1 | data/4O/4OTI-MI1/4OTI-MI1_ligand.pdbqt | data/4O/4OTI-MI1/4OTI-MI1_target.pdbqt | data/4O/4OTI-MI1/4OTI-MI1_decoys.pdbqt | data/4O/4OTI-MI1/4OTI-MI1_decoy_scores.csv |
4OJT-2WP | data/4O/4OJT-2WP/4OJT-2WP_ligand.pdbqt | data/4O/4OJT-2WP/4OJT-2WP_target.pdbqt | data/4O/4OJT-2WP/4OJT-2WP_decoys.pdbqt | data/4O/4OJT-2WP/4OJT-2WP_decoy_scores.csv |
4OYR-NAD | data/4O/4OYR-NAD/4OYR-NAD_ligand.pdbqt | data/4O/4OYR-NAD/4OYR-NAD_target.pdbqt | data/4O/4OYR-NAD/4OYR-NAD_decoys.pdbqt | data/4O/4OYR-NAD/4OYR-NAD_decoy_scores.csv |
4OWS-4M0 | data/4O/4OWS-4M0/4OWS-4M0_ligand.pdbqt | data/4O/4OWS-4M0/4OWS-4M0_target.pdbqt | data/4O/4OWS-4M0/4OWS-4M0_decoys.pdbqt | data/4O/4OWS-4M0/4OWS-4M0_decoy_scores.csv |
4OCC-2TZ | data/4O/4OCC-2TZ/4OCC-2TZ_ligand.pdbqt | data/4O/4OCC-2TZ/4OCC-2TZ_target.pdbqt | data/4O/4OCC-2TZ/4OCC-2TZ_decoys.pdbqt | data/4O/4OCC-2TZ/4OCC-2TZ_decoy_scores.csv |
4OKT-198 | data/4O/4OKT-198/4OKT-198_ligand.pdbqt | data/4O/4OKT-198/4OKT-198_target.pdbqt | data/4O/4OKT-198/4OKT-198_decoys.pdbqt | data/4O/4OKT-198/4OKT-198_decoy_scores.csv |
4ODE-2U0 | data/4O/4ODE-2U0/4ODE-2U0_ligand.pdbqt | data/4O/4ODE-2U0/4ODE-2U0_target.pdbqt | data/4O/4ODE-2U0/4ODE-2U0_decoys.pdbqt | data/4O/4ODE-2U0/4ODE-2U0_decoy_scores.csv |
4O63-NAD | data/4O/4O63-NAD/4O63-NAD_ligand.pdbqt | data/4O/4O63-NAD/4O63-NAD_target.pdbqt | data/4O/4O63-NAD/4O63-NAD_decoys.pdbqt | data/4O/4O63-NAD/4O63-NAD_decoy_scores.csv |
4O05-2Q9 | data/4O/4O05-2Q9/4O05-2Q9_ligand.pdbqt | data/4O/4O05-2Q9/4O05-2Q9_target.pdbqt | data/4O/4O05-2Q9/4O05-2Q9_decoys.pdbqt | data/4O/4O05-2Q9/4O05-2Q9_decoy_scores.csv |
4OK6-2T7 | data/4O/4OK6-2T7/4OK6-2T7_ligand.pdbqt | data/4O/4OK6-2T7/4OK6-2T7_target.pdbqt | data/4O/4OK6-2T7/4OK6-2T7_decoys.pdbqt | data/4O/4OK6-2T7/4OK6-2T7_decoy_scores.csv |
4OCX-MT1 | data/4O/4OCX-MT1/4OCX-MT1_ligand.pdbqt | data/4O/4OCX-MT1/4OCX-MT1_target.pdbqt | data/4O/4OCX-MT1/4OCX-MT1_decoys.pdbqt | data/4O/4OCX-MT1/4OCX-MT1_decoy_scores.csv |
4O7B-2RJ | data/4O/4O7B-2RJ/4O7B-2RJ_ligand.pdbqt | data/4O/4O7B-2RJ/4O7B-2RJ_target.pdbqt | data/4O/4O7B-2RJ/4O7B-2RJ_decoys.pdbqt | data/4O/4O7B-2RJ/4O7B-2RJ_decoy_scores.csv |
4OV9-VPM | data/4O/4OV9-VPM/4OV9-VPM_ligand.pdbqt | data/4O/4OV9-VPM/4OV9-VPM_target.pdbqt | data/4O/4OV9-VPM/4OV9-VPM_decoys.pdbqt | data/4O/4OV9-VPM/4OV9-VPM_decoy_scores.csv |
4O4P-1C6 | data/4O/4O4P-1C6/4O4P-1C6_ligand.pdbqt | data/4O/4O4P-1C6/4O4P-1C6_target.pdbqt | data/4O/4O4P-1C6/4O4P-1C6_decoys.pdbqt | data/4O/4O4P-1C6/4O4P-1C6_decoy_scores.csv |
4ORI-2V6 | data/4O/4ORI-2V6/4ORI-2V6_ligand.pdbqt | data/4O/4ORI-2V6/4ORI-2V6_target.pdbqt | data/4O/4ORI-2V6/4ORI-2V6_decoys.pdbqt | data/4O/4ORI-2V6/4ORI-2V6_decoy_scores.csv |
4OGW-NMN | data/4O/4OGW-NMN/4OGW-NMN_ligand.pdbqt | data/4O/4OGW-NMN/4OGW-NMN_target.pdbqt | data/4O/4OGW-NMN/4OGW-NMN_decoys.pdbqt | data/4O/4OGW-NMN/4OGW-NMN_decoy_scores.csv |
4O13-2P1 | data/4O/4O13-2P1/4O13-2P1_ligand.pdbqt | data/4O/4O13-2P1/4O13-2P1_target.pdbqt | data/4O/4O13-2P1/4O13-2P1_decoys.pdbqt | data/4O/4O13-2P1/4O13-2P1_decoy_scores.csv |
4OUB-2VS | data/4O/4OUB-2VS/4OUB-2VS_ligand.pdbqt | data/4O/4OUB-2VS/4OUB-2VS_target.pdbqt | data/4O/4OUB-2VS/4OUB-2VS_decoys.pdbqt | data/4O/4OUB-2VS/4OUB-2VS_decoy_scores.csv |
4OXK-NAD | data/4O/4OXK-NAD/4OXK-NAD_ligand.pdbqt | data/4O/4OXK-NAD/4OXK-NAD_target.pdbqt | data/4O/4OXK-NAD/4OXK-NAD_decoys.pdbqt | data/4O/4OXK-NAD/4OXK-NAD_decoy_scores.csv |
4OEZ-DHT | data/4O/4OEZ-DHT/4OEZ-DHT_ligand.pdbqt | data/4O/4OEZ-DHT/4OEZ-DHT_target.pdbqt | data/4O/4OEZ-DHT/4OEZ-DHT_decoys.pdbqt | data/4O/4OEZ-DHT/4OEZ-DHT_decoy_scores.csv |
4OGB-2SR | data/4O/4OGB-2SR/4OGB-2SR_ligand.pdbqt | data/4O/4OGB-2SR/4OGB-2SR_target.pdbqt | data/4O/4OGB-2SR/4OGB-2SR_decoys.pdbqt | data/4O/4OGB-2SR/4OGB-2SR_decoy_scores.csv |
4OY3-SAH | data/4O/4OY3-SAH/4OY3-SAH_ligand.pdbqt | data/4O/4OY3-SAH/4OY3-SAH_target.pdbqt | data/4O/4OY3-SAH/4OY3-SAH_decoys.pdbqt | data/4O/4OY3-SAH/4OY3-SAH_decoy_scores.csv |
4O25-GTP | data/4O/4O25-GTP/4O25-GTP_ligand.pdbqt | data/4O/4O25-GTP/4O25-GTP_target.pdbqt | data/4O/4O25-GTP/4O25-GTP_decoys.pdbqt | data/4O/4O25-GTP/4O25-GTP_decoy_scores.csv |
4ORR-PE3 | data/4O/4ORR-PE3/4ORR-PE3_ligand.pdbqt | data/4O/4ORR-PE3/4ORR-PE3_target.pdbqt | data/4O/4ORR-PE3/4ORR-PE3_decoys.pdbqt | data/4O/4ORR-PE3/4ORR-PE3_decoy_scores.csv |
4OVQ-BDP | data/4O/4OVQ-BDP/4OVQ-BDP_ligand.pdbqt | data/4O/4OVQ-BDP/4OVQ-BDP_target.pdbqt | data/4O/4OVQ-BDP/4OVQ-BDP_decoys.pdbqt | data/4O/4OVQ-BDP/4OVQ-BDP_decoy_scores.csv |
4OTH-DRN | data/4O/4OTH-DRN/4OTH-DRN_ligand.pdbqt | data/4O/4OTH-DRN/4OTH-DRN_target.pdbqt | data/4O/4OTH-DRN/4OTH-DRN_decoys.pdbqt | data/4O/4OTH-DRN/4OTH-DRN_decoy_scores.csv |
4OI5-2G6 | data/4O/4OI5-2G6/4OI5-2G6_ligand.pdbqt | data/4O/4OI5-2G6/4OI5-2G6_target.pdbqt | data/4O/4OI5-2G6/4OI5-2G6_decoys.pdbqt | data/4O/4OI5-2G6/4OI5-2G6_decoy_scores.csv |
4OP1-2UW | data/4O/4OP1-2UW/4OP1-2UW_ligand.pdbqt | data/4O/4OP1-2UW/4OP1-2UW_target.pdbqt | data/4O/4OP1-2UW/4OP1-2UW_decoys.pdbqt | data/4O/4OP1-2UW/4OP1-2UW_decoy_scores.csv |
4OHM-2TF | data/4O/4OHM-2TF/4OHM-2TF_ligand.pdbqt | data/4O/4OHM-2TF/4OHM-2TF_target.pdbqt | data/4O/4OHM-2TF/4OHM-2TF_decoys.pdbqt | data/4O/4OHM-2TF/4OHM-2TF_decoy_scores.csv |
4O6N-CDP | data/4O/4O6N-CDP/4O6N-CDP_ligand.pdbqt | data/4O/4O6N-CDP/4O6N-CDP_target.pdbqt | data/4O/4O6N-CDP/4O6N-CDP_decoys.pdbqt | data/4O/4O6N-CDP/4O6N-CDP_decoy_scores.csv |
4ORO-GDP | data/4O/4ORO-GDP/4ORO-GDP_ligand.pdbqt | data/4O/4ORO-GDP/4ORO-GDP_target.pdbqt | data/4O/4ORO-GDP/4ORO-GDP_decoys.pdbqt | data/4O/4ORO-GDP/4ORO-GDP_decoy_scores.csv |
4OXN-1S5 | data/4O/4OXN-1S5/4OXN-1S5_ligand.pdbqt | data/4O/4OXN-1S5/4OXN-1S5_target.pdbqt | data/4O/4OXN-1S5/4OXN-1S5_decoys.pdbqt | data/4O/4OXN-1S5/4OXN-1S5_decoy_scores.csv |
4OG6-2S9 | data/4O/4OG6-2S9/4OG6-2S9_ligand.pdbqt | data/4O/4OG6-2S9/4OG6-2S9_target.pdbqt | data/4O/4OG6-2S9/4OG6-2S9_decoys.pdbqt | data/4O/4OG6-2S9/4OG6-2S9_decoy_scores.csv |
4OG4-2VK | data/4O/4OG4-2VK/4OG4-2VK_ligand.pdbqt | data/4O/4OG4-2VK/4OG4-2VK_target.pdbqt | data/4O/4OG4-2VK/4OG4-2VK_decoys.pdbqt | data/4O/4OG4-2VK/4OG4-2VK_decoy_scores.csv |
4OM8-NAD | data/4O/4OM8-NAD/4OM8-NAD_ligand.pdbqt | data/4O/4OM8-NAD/4OM8-NAD_target.pdbqt | data/4O/4OM8-NAD/4OM8-NAD_decoys.pdbqt | data/4O/4OM8-NAD/4OM8-NAD_decoy_scores.csv |
4OK3-2SY | data/4O/4OK3-2SY/4OK3-2SY_ligand.pdbqt | data/4O/4OK3-2SY/4OK3-2SY_target.pdbqt | data/4O/4OK3-2SY/4OK3-2SY_decoys.pdbqt | data/4O/4OK3-2SY/4OK3-2SY_decoy_scores.csv |
2VNY-M02 | data/2V/2VNY-M02/2VNY-M02_ligand.pdbqt | data/2V/2VNY-M02/2VNY-M02_target.pdbqt | data/2V/2VNY-M02/2VNY-M02_decoys.pdbqt | data/2V/2VNY-M02/2VNY-M02_decoy_scores.csv |
2VVZ-DAN | data/2V/2VVZ-DAN/2VVZ-DAN_ligand.pdbqt | data/2V/2VVZ-DAN/2VVZ-DAN_target.pdbqt | data/2V/2VVZ-DAN/2VVZ-DAN_decoys.pdbqt | data/2V/2VVZ-DAN/2VVZ-DAN_decoy_scores.csv |
2VVQ-R10 | data/2V/2VVQ-R10/2VVQ-R10_ligand.pdbqt | data/2V/2VVQ-R10/2VVQ-R10_target.pdbqt | data/2V/2VVQ-R10/2VVQ-R10_decoys.pdbqt | data/2V/2VVQ-R10/2VVQ-R10_decoy_scores.csv |
2VCT-ASD | data/2V/2VCT-ASD/2VCT-ASD_ligand.pdbqt | data/2V/2VCT-ASD/2VCT-ASD_target.pdbqt | data/2V/2VCT-ASD/2VCT-ASD_decoys.pdbqt | data/2V/2VCT-ASD/2VCT-ASD_decoy_scores.csv |
2V0I-UD1 | data/2V/2V0I-UD1/2V0I-UD1_ligand.pdbqt | data/2V/2V0I-UD1/2V0I-UD1_target.pdbqt | data/2V/2V0I-UD1/2V0I-UD1_decoys.pdbqt | data/2V/2V0I-UD1/2V0I-UD1_decoy_scores.csv |
2VAR-AMP | data/2V/2VAR-AMP/2VAR-AMP_ligand.pdbqt | data/2V/2VAR-AMP/2VAR-AMP_target.pdbqt | data/2V/2VAR-AMP/2VAR-AMP_decoys.pdbqt | data/2V/2VAR-AMP/2VAR-AMP_decoy_scores.csv |
2VJT-CYC | data/2V/2VJT-CYC/2VJT-CYC_ligand.pdbqt | data/2V/2VJT-CYC/2VJT-CYC_target.pdbqt | data/2V/2VJT-CYC/2VJT-CYC_decoys.pdbqt | data/2V/2VJT-CYC/2VJT-CYC_decoy_scores.csv |
2VIQ-D55 | data/2V/2VIQ-D55/2VIQ-D55_ligand.pdbqt | data/2V/2VIQ-D55/2VIQ-D55_target.pdbqt | data/2V/2VIQ-D55/2VIQ-D55_decoys.pdbqt | data/2V/2VIQ-D55/2VIQ-D55_decoy_scores.csv |
2VH6-GSV | data/2V/2VH6-GSV/2VH6-GSV_ligand.pdbqt | data/2V/2VH6-GSV/2VH6-GSV_target.pdbqt | data/2V/2VH6-GSV/2VH6-GSV_decoys.pdbqt | data/2V/2VH6-GSV/2VH6-GSV_decoy_scores.csv |
2VBG-R1T | data/2V/2VBG-R1T/2VBG-R1T_ligand.pdbqt | data/2V/2VBG-R1T/2VBG-R1T_target.pdbqt | data/2V/2VBG-R1T/2VBG-R1T_decoys.pdbqt | data/2V/2VBG-R1T/2VBG-R1T_decoy_scores.csv |
2VD1-D28 | data/2V/2VD1-D28/2VD1-D28_ligand.pdbqt | data/2V/2VD1-D28/2VD1-D28_target.pdbqt | data/2V/2VD1-D28/2VD1-D28_decoys.pdbqt | data/2V/2VD1-D28/2VD1-D28_decoy_scores.csv |
2V1A-FMN | data/2V/2V1A-FMN/2V1A-FMN_ligand.pdbqt | data/2V/2V1A-FMN/2V1A-FMN_target.pdbqt | data/2V/2V1A-FMN/2V1A-FMN_decoys.pdbqt | data/2V/2V1A-FMN/2V1A-FMN_decoy_scores.csv |
2VPN-4CS | data/2V/2VPN-4CS/2VPN-4CS_ligand.pdbqt | data/2V/2VPN-4CS/2VPN-4CS_target.pdbqt | data/2V/2VPN-4CS/2VPN-4CS_decoys.pdbqt | data/2V/2VPN-4CS/2VPN-4CS_decoy_scores.csv |
2VEX-IZ4 | data/2V/2VEX-IZ4/2VEX-IZ4_ligand.pdbqt | data/2V/2VEX-IZ4/2VEX-IZ4_target.pdbqt | data/2V/2VEX-IZ4/2VEX-IZ4_decoys.pdbqt | data/2V/2VEX-IZ4/2VEX-IZ4_decoy_scores.csv |
2VEZ-G6P | data/2V/2VEZ-G6P/2VEZ-G6P_ligand.pdbqt | data/2V/2VEZ-G6P/2VEZ-G6P_target.pdbqt | data/2V/2VEZ-G6P/2VEZ-G6P_decoys.pdbqt | data/2V/2VEZ-G6P/2VEZ-G6P_decoy_scores.csv |
2VD9-EPC | data/2V/2VD9-EPC/2VD9-EPC_ligand.pdbqt | data/2V/2VD9-EPC/2VD9-EPC_target.pdbqt | data/2V/2VD9-EPC/2VD9-EPC_decoys.pdbqt | data/2V/2VD9-EPC/2VD9-EPC_decoy_scores.csv |
2VZB-BEN | data/2V/2VZB-BEN/2VZB-BEN_ligand.pdbqt | data/2V/2VZB-BEN/2VZB-BEN_target.pdbqt | data/2V/2VZB-BEN/2VZB-BEN_decoys.pdbqt | data/2V/2VZB-BEN/2VZB-BEN_decoy_scores.csv |
2VAR-KDF | data/2V/2VAR-KDF/2VAR-KDF_ligand.pdbqt | data/2V/2VAR-KDF/2VAR-KDF_target.pdbqt | data/2V/2VAR-KDF/2VAR-KDF_decoys.pdbqt | data/2V/2VAR-KDF/2VAR-KDF_decoy_scores.csv |
2VBU-CDP | data/2V/2VBU-CDP/2VBU-CDP_ligand.pdbqt | data/2V/2VBU-CDP/2VBU-CDP_target.pdbqt | data/2V/2VBU-CDP/2VBU-CDP_decoys.pdbqt | data/2V/2VBU-CDP/2VBU-CDP_decoy_scores.csv |
2VO4-GTB | data/2V/2VO4-GTB/2VO4-GTB_ligand.pdbqt | data/2V/2VO4-GTB/2VO4-GTB_target.pdbqt | data/2V/2VO4-GTB/2VO4-GTB_decoys.pdbqt | data/2V/2VO4-GTB/2VO4-GTB_decoy_scores.csv |
2V8Q-AMP | data/2V/2V8Q-AMP/2V8Q-AMP_ligand.pdbqt | data/2V/2V8Q-AMP/2V8Q-AMP_target.pdbqt | data/2V/2V8Q-AMP/2V8Q-AMP_decoys.pdbqt | data/2V/2V8Q-AMP/2V8Q-AMP_decoy_scores.csv |
2VML-CYC | data/2V/2VML-CYC/2VML-CYC_ligand.pdbqt | data/2V/2VML-CYC/2VML-CYC_target.pdbqt | data/2V/2VML-CYC/2VML-CYC_decoys.pdbqt | data/2V/2VML-CYC/2VML-CYC_decoy_scores.csv |
2VNV-MMA | data/2V/2VNV-MMA/2VNV-MMA_ligand.pdbqt | data/2V/2VNV-MMA/2VNV-MMA_target.pdbqt | data/2V/2VNV-MMA/2VNV-MMA_decoys.pdbqt | data/2V/2VNV-MMA/2VNV-MMA_decoy_scores.csv |
2VVG-ADP | data/2V/2VVG-ADP/2VVG-ADP_ligand.pdbqt | data/2V/2VVG-ADP/2VVG-ADP_target.pdbqt | data/2V/2VVG-ADP/2VVG-ADP_decoys.pdbqt | data/2V/2VVG-ADP/2VVG-ADP_decoy_scores.csv |
2V30-U5P | data/2V/2V30-U5P/2V30-U5P_ligand.pdbqt | data/2V/2V30-U5P/2V30-U5P_target.pdbqt | data/2V/2V30-U5P/2V30-U5P_decoys.pdbqt | data/2V/2V30-U5P/2V30-U5P_decoy_scores.csv |
2VQU-NOY | data/2V/2VQU-NOY/2VQU-NOY_ligand.pdbqt | data/2V/2VQU-NOY/2VQU-NOY_target.pdbqt | data/2V/2VQU-NOY/2VQU-NOY_decoys.pdbqt | data/2V/2VQU-NOY/2VQU-NOY_decoy_scores.csv |
2VVO-A6P | data/2V/2VVO-A6P/2VVO-A6P_ligand.pdbqt | data/2V/2VVO-A6P/2VVO-A6P_target.pdbqt | data/2V/2VVO-A6P/2VVO-A6P_decoys.pdbqt | data/2V/2VVO-A6P/2VVO-A6P_decoy_scores.csv |
2VK0-MPB | data/2V/2VK0-MPB/2VK0-MPB_ligand.pdbqt | data/2V/2VK0-MPB/2VK0-MPB_target.pdbqt | data/2V/2VK0-MPB/2VK0-MPB_decoys.pdbqt | data/2V/2VK0-MPB/2VK0-MPB_decoy_scores.csv |
2VV9-IM9 | data/2V/2VV9-IM9/2VV9-IM9_ligand.pdbqt | data/2V/2VV9-IM9/2VV9-IM9_target.pdbqt | data/2V/2VV9-IM9/2VV9-IM9_decoys.pdbqt | data/2V/2VV9-IM9/2VV9-IM9_decoy_scores.csv |
2VTO-LZ8 | data/2V/2VTO-LZ8/2VTO-LZ8_ligand.pdbqt | data/2V/2VTO-LZ8/2VTO-LZ8_target.pdbqt | data/2V/2VTO-LZ8/2VTO-LZ8_decoys.pdbqt | data/2V/2VTO-LZ8/2VTO-LZ8_decoy_scores.csv |
2VSY-NHE | data/2V/2VSY-NHE/2VSY-NHE_ligand.pdbqt | data/2V/2VSY-NHE/2VSY-NHE_target.pdbqt | null | null |
2VVC-LZF | data/2V/2VVC-LZF/2VVC-LZF_ligand.pdbqt | data/2V/2VVC-LZF/2VVC-LZF_target.pdbqt | data/2V/2VVC-LZF/2VVC-LZF_decoys.pdbqt | data/2V/2VVC-LZF/2VVC-LZF_decoy_scores.csv |
2VZL-NAD | data/2V/2VZL-NAD/2VZL-NAD_ligand.pdbqt | data/2V/2VZL-NAD/2VZL-NAD_target.pdbqt | data/2V/2VZL-NAD/2VZL-NAD_decoys.pdbqt | data/2V/2VZL-NAD/2VZL-NAD_decoy_scores.csv |
2VO4-4NM | data/2V/2VO4-4NM/2VO4-4NM_ligand.pdbqt | data/2V/2VO4-4NM/2VO4-4NM_target.pdbqt | data/2V/2VO4-4NM/2VO4-4NM_decoys.pdbqt | data/2V/2VO4-4NM/2VO4-4NM_decoy_scores.csv |
2VX3-D15 | data/2V/2VX3-D15/2VX3-D15_ligand.pdbqt | data/2V/2VX3-D15/2VX3-D15_target.pdbqt | data/2V/2VX3-D15/2VX3-D15_decoys.pdbqt | data/2V/2VX3-D15/2VX3-D15_decoy_scores.csv |
2VVN-NHT | data/2V/2VVN-NHT/2VVN-NHT_ligand.pdbqt | data/2V/2VVN-NHT/2VVN-NHT_target.pdbqt | data/2V/2VVN-NHT/2VVN-NHT_decoys.pdbqt | data/2V/2VVN-NHT/2VVN-NHT_decoy_scores.csv |
2V0C-LMS | data/2V/2V0C-LMS/2V0C-LMS_ligand.pdbqt | data/2V/2V0C-LMS/2V0C-LMS_target.pdbqt | null | null |
2VI5-Y19 | data/2V/2VI5-Y19/2VI5-Y19_ligand.pdbqt | data/2V/2VI5-Y19/2VI5-Y19_target.pdbqt | data/2V/2VI5-Y19/2VI5-Y19_decoys.pdbqt | data/2V/2VI5-Y19/2VI5-Y19_decoy_scores.csv |
2V9C-FMN | data/2V/2V9C-FMN/2V9C-FMN_ligand.pdbqt | data/2V/2V9C-FMN/2V9C-FMN_target.pdbqt | data/2V/2V9C-FMN/2V9C-FMN_decoys.pdbqt | data/2V/2V9C-FMN/2V9C-FMN_decoy_scores.csv |
2VRJ-NCW | data/2V/2VRJ-NCW/2VRJ-NCW_ligand.pdbqt | data/2V/2VRJ-NCW/2VRJ-NCW_target.pdbqt | data/2V/2VRJ-NCW/2VRJ-NCW_decoys.pdbqt | data/2V/2VRJ-NCW/2VRJ-NCW_decoy_scores.csv |
2VP5-DCZ | data/2V/2VP5-DCZ/2VP5-DCZ_ligand.pdbqt | data/2V/2VP5-DCZ/2VP5-DCZ_target.pdbqt | data/2V/2VP5-DCZ/2VP5-DCZ_decoys.pdbqt | data/2V/2VP5-DCZ/2VP5-DCZ_decoy_scores.csv |
2VVT-I24 | data/2V/2VVT-I24/2VVT-I24_ligand.pdbqt | data/2V/2VVT-I24/2VVT-I24_target.pdbqt | data/2V/2VVT-I24/2VVT-I24_decoys.pdbqt | data/2V/2VVT-I24/2VVT-I24_decoy_scores.csv |
2VVU-H22 | data/2V/2VVU-H22/2VVU-H22_ligand.pdbqt | data/2V/2VVU-H22/2VVU-H22_target.pdbqt | data/2V/2VVU-H22/2VVU-H22_decoys.pdbqt | data/2V/2VVU-H22/2VVU-H22_decoy_scores.csv |
2VOT-NHV | data/2V/2VOT-NHV/2VOT-NHV_ligand.pdbqt | data/2V/2VOT-NHV/2VOT-NHV_target.pdbqt | data/2V/2VOT-NHV/2VOT-NHV_decoys.pdbqt | data/2V/2VOT-NHV/2VOT-NHV_decoy_scores.csv |
2V7K-DTR | data/2V/2V7K-DTR/2V7K-DTR_ligand.pdbqt | data/2V/2V7K-DTR/2V7K-DTR_target.pdbqt | data/2V/2V7K-DTR/2V7K-DTR_decoys.pdbqt | data/2V/2V7K-DTR/2V7K-DTR_decoy_scores.csv |
2VCI-2GJ | data/2V/2VCI-2GJ/2VCI-2GJ_ligand.pdbqt | data/2V/2VCI-2GJ/2VCI-2GJ_target.pdbqt | data/2V/2VCI-2GJ/2VCI-2GJ_decoys.pdbqt | data/2V/2VCI-2GJ/2VCI-2GJ_decoy_scores.csv |
2VIY-VG3 | data/2V/2VIY-VG3/2VIY-VG3_ligand.pdbqt | data/2V/2VIY-VG3/2VIY-VG3_target.pdbqt | data/2V/2VIY-VG3/2VIY-VG3_decoys.pdbqt | data/2V/2VIY-VG3/2VIY-VG3_decoy_scores.csv |
2VF3-GVS | data/2V/2VF3-GVS/2VF3-GVS_ligand.pdbqt | data/2V/2VF3-GVS/2VF3-GVS_target.pdbqt | data/2V/2VF3-GVS/2VF3-GVS_decoys.pdbqt | data/2V/2VF3-GVS/2VF3-GVS_decoy_scores.csv |
2VAP-GDP | data/2V/2VAP-GDP/2VAP-GDP_ligand.pdbqt | data/2V/2VAP-GDP/2VAP-GDP_target.pdbqt | data/2V/2VAP-GDP/2VAP-GDP_decoys.pdbqt | data/2V/2VAP-GDP/2VAP-GDP_decoy_scores.csv |
2VNJ-HTG | data/2V/2VNJ-HTG/2VNJ-HTG_ligand.pdbqt | data/2V/2VNJ-HTG/2VNJ-HTG_target.pdbqt | data/2V/2VNJ-HTG/2VNJ-HTG_decoys.pdbqt | data/2V/2VNJ-HTG/2VNJ-HTG_decoy_scores.csv |
2VFE-3PG | data/2V/2VFE-3PG/2VFE-3PG_ligand.pdbqt | data/2V/2VFE-3PG/2VFE-3PG_target.pdbqt | data/2V/2VFE-3PG/2VFE-3PG_decoys.pdbqt | data/2V/2VFE-3PG/2VFE-3PG_decoy_scores.csv |
2VCQ-D25 | data/2V/2VCQ-D25/2VCQ-D25_ligand.pdbqt | data/2V/2VCQ-D25/2VCQ-D25_target.pdbqt | data/2V/2VCQ-D25/2VCQ-D25_decoys.pdbqt | data/2V/2VCQ-D25/2VCQ-D25_decoy_scores.csv |
2VD6-2SA | data/2V/2VD6-2SA/2VD6-2SA_ligand.pdbqt | data/2V/2VD6-2SA/2VD6-2SA_target.pdbqt | data/2V/2VD6-2SA/2VD6-2SA_decoys.pdbqt | data/2V/2VD6-2SA/2VD6-2SA_decoy_scores.csv |
2VWU-7X1 | data/2V/2VWU-7X1/2VWU-7X1_ligand.pdbqt | data/2V/2VWU-7X1/2VWU-7X1_target.pdbqt | data/2V/2VWU-7X1/2VWU-7X1_decoys.pdbqt | data/2V/2VWU-7X1/2VWU-7X1_decoy_scores.csv |
2VFG-3PG | data/2V/2VFG-3PG/2VFG-3PG_ligand.pdbqt | data/2V/2VFG-3PG/2VFG-3PG_target.pdbqt | data/2V/2VFG-3PG/2VFG-3PG_decoys.pdbqt | data/2V/2VFG-3PG/2VFG-3PG_decoy_scores.csv |
2VEK-ASF | data/2V/2VEK-ASF/2VEK-ASF_ligand.pdbqt | data/2V/2VEK-ASF/2VEK-ASF_target.pdbqt | data/2V/2VEK-ASF/2VEK-ASF_decoys.pdbqt | data/2V/2VEK-ASF/2VEK-ASF_decoy_scores.csv |
2VMD-1PG | data/2V/2VMD-1PG/2VMD-1PG_ligand.pdbqt | data/2V/2VMD-1PG/2VMD-1PG_target.pdbqt | data/2V/2VMD-1PG/2VMD-1PG_decoys.pdbqt | data/2V/2VMD-1PG/2VMD-1PG_decoy_scores.csv |
2VBA-P4T | data/2V/2VBA-P4T/2VBA-P4T_ligand.pdbqt | data/2V/2VBA-P4T/2VBA-P4T_target.pdbqt | data/2V/2VBA-P4T/2VBA-P4T_decoys.pdbqt | data/2V/2VBA-P4T/2VBA-P4T_decoy_scores.csv |
2VMD-MBG | data/2V/2VMD-MBG/2VMD-MBG_ligand.pdbqt | data/2V/2VMD-MBG/2VMD-MBG_target.pdbqt | data/2V/2VMD-MBG/2VMD-MBG_decoys.pdbqt | data/2V/2VMD-MBG/2VMD-MBG_decoy_scores.csv |
2VZS-GCS | data/2V/2VZS-GCS/2VZS-GCS_ligand.pdbqt | data/2V/2VZS-GCS/2VZS-GCS_target.pdbqt | data/2V/2VZS-GCS/2VZS-GCS_decoys.pdbqt | data/2V/2VZS-GCS/2VZS-GCS_decoy_scores.csv |
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