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 ⌀ |
|---|---|---|---|---|
1V59-NAD | data/1V/1V59-NAD/1V59-NAD_ligand.pdbqt | data/1V/1V59-NAD/1V59-NAD_target.pdbqt | data/1V/1V59-NAD/1V59-NAD_decoys.pdbqt | data/1V/1V59-NAD/1V59-NAD_decoy_scores.csv |
1V8M-APR | data/1V/1V8M-APR/1V8M-APR_ligand.pdbqt | data/1V/1V8M-APR/1V8M-APR_target.pdbqt | null | null |
1V6C-PMS | data/1V/1V6C-PMS/1V6C-PMS_ligand.pdbqt | data/1V/1V6C-PMS/1V6C-PMS_target.pdbqt | data/1V/1V6C-PMS/1V6C-PMS_decoys.pdbqt | data/1V/1V6C-PMS/1V6C-PMS_decoy_scores.csv |
1VKG-CRI | data/1V/1VKG-CRI/1VKG-CRI_ligand.pdbqt | data/1V/1VKG-CRI/1VKG-CRI_target.pdbqt | data/1V/1VKG-CRI/1VKG-CRI_decoys.pdbqt | data/1V/1VKG-CRI/1VKG-CRI_decoy_scores.csv |
1VKO-NAD | data/1V/1VKO-NAD/1VKO-NAD_ligand.pdbqt | data/1V/1VKO-NAD/1VKO-NAD_target.pdbqt | data/1V/1VKO-NAD/1VKO-NAD_decoys.pdbqt | data/1V/1VKO-NAD/1VKO-NAD_decoy_scores.csv |
1VEN-GLC | data/1V/1VEN-GLC/1VEN-GLC_ligand.pdbqt | data/1V/1VEN-GLC/1VEN-GLC_target.pdbqt | data/1V/1VEN-GLC/1VEN-GLC_decoys.pdbqt | data/1V/1VEN-GLC/1VEN-GLC_decoy_scores.csv |
1VRW-NAI | data/1V/1VRW-NAI/1VRW-NAI_ligand.pdbqt | data/1V/1VRW-NAI/1VRW-NAI_target.pdbqt | data/1V/1VRW-NAI/1VRW-NAI_decoys.pdbqt | data/1V/1VRW-NAI/1VRW-NAI_decoy_scores.csv |
1V0L-XYP | data/1V/1V0L-XYP/1V0L-XYP_ligand.pdbqt | data/1V/1V0L-XYP/1V0L-XYP_target.pdbqt | data/1V/1V0L-XYP/1V0L-XYP_decoys.pdbqt | data/1V/1V0L-XYP/1V0L-XYP_decoy_scores.csv |
1V4S-GLC | data/1V/1V4S-GLC/1V4S-GLC_ligand.pdbqt | data/1V/1V4S-GLC/1V4S-GLC_target.pdbqt | data/1V/1V4S-GLC/1V4S-GLC_decoys.pdbqt | data/1V/1V4S-GLC/1V4S-GLC_decoy_scores.csv |
1V3V-5OP | data/1V/1V3V-5OP/1V3V-5OP_ligand.pdbqt | data/1V/1V3V-5OP/1V3V-5OP_target.pdbqt | data/1V/1V3V-5OP/1V3V-5OP_decoys.pdbqt | data/1V/1V3V-5OP/1V3V-5OP_decoy_scores.csv |
1VGO-BNG | data/1V/1VGO-BNG/1VGO-BNG_ligand.pdbqt | data/1V/1VGO-BNG/1VGO-BNG_target.pdbqt | data/1V/1VGO-BNG/1VGO-BNG_decoys.pdbqt | data/1V/1VGO-BNG/1VGO-BNG_decoy_scores.csv |
1VFZ-ADP | data/1V/1VFZ-ADP/1VFZ-ADP_ligand.pdbqt | data/1V/1VFZ-ADP/1VFZ-ADP_target.pdbqt | null | null |
1V2N-BBA | data/1V/1V2N-BBA/1V2N-BBA_ligand.pdbqt | data/1V/1V2N-BBA/1V2N-BBA_target.pdbqt | data/1V/1V2N-BBA/1V2N-BBA_decoys.pdbqt | data/1V/1V2N-BBA/1V2N-BBA_decoy_scores.csv |
1VFR-FMN | data/1V/1VFR-FMN/1VFR-FMN_ligand.pdbqt | data/1V/1VFR-FMN/1VFR-FMN_target.pdbqt | data/1V/1VFR-FMN/1VFR-FMN_decoys.pdbqt | data/1V/1VFR-FMN/1VFR-FMN_decoy_scores.csv |
1VSO-AT1 | data/1V/1VSO-AT1/1VSO-AT1_ligand.pdbqt | data/1V/1VSO-AT1/1VSO-AT1_target.pdbqt | data/1V/1VSO-AT1/1VSO-AT1_decoys.pdbqt | data/1V/1VSO-AT1/1VSO-AT1_decoy_scores.csv |
1VA6-ADP | data/1V/1VA6-ADP/1VA6-ADP_ligand.pdbqt | data/1V/1VA6-ADP/1VA6-ADP_target.pdbqt | data/1V/1VA6-ADP/1VA6-ADP_decoys.pdbqt | data/1V/1VA6-ADP/1VA6-ADP_decoy_scores.csv |
1VG0-GER | data/1V/1VG0-GER/1VG0-GER_ligand.pdbqt | data/1V/1VG0-GER/1VG0-GER_target.pdbqt | data/1V/1VG0-GER/1VG0-GER_decoys.pdbqt | data/1V/1VG0-GER/1VG0-GER_decoy_scores.csv |
1V08-NTZ | data/1V/1V08-NTZ/1V08-NTZ_ligand.pdbqt | data/1V/1V08-NTZ/1V08-NTZ_target.pdbqt | data/1V/1V08-NTZ/1V08-NTZ_decoys.pdbqt | data/1V/1V08-NTZ/1V08-NTZ_decoy_scores.csv |
1V8R-APR | data/1V/1V8R-APR/1V8R-APR_ligand.pdbqt | data/1V/1V8R-APR/1V8R-APR_target.pdbqt | data/1V/1V8R-APR/1V8R-APR_decoys.pdbqt | data/1V/1V8R-APR/1V8R-APR_decoy_scores.csv |
1V3S-ATP | data/1V/1V3S-ATP/1V3S-ATP_ligand.pdbqt | data/1V/1V3S-ATP/1V3S-ATP_target.pdbqt | data/1V/1V3S-ATP/1V3S-ATP_decoys.pdbqt | data/1V/1V3S-ATP/1V3S-ATP_decoy_scores.csv |
1VFN-HPA | data/1V/1VFN-HPA/1VFN-HPA_ligand.pdbqt | data/1V/1VFN-HPA/1VFN-HPA_target.pdbqt | data/1V/1VFN-HPA/1VFN-HPA_decoys.pdbqt | data/1V/1VFN-HPA/1VFN-HPA_decoy_scores.csv |
1VFT-DCS | data/1V/1VFT-DCS/1VFT-DCS_ligand.pdbqt | data/1V/1VFT-DCS/1VFT-DCS_target.pdbqt | data/1V/1VFT-DCS/1VFT-DCS_decoys.pdbqt | data/1V/1VFT-DCS/1VFT-DCS_decoy_scores.csv |
1V8F-P6G | data/1V/1V8F-P6G/1V8F-P6G_ligand.pdbqt | data/1V/1V8F-P6G/1V8F-P6G_target.pdbqt | data/1V/1V8F-P6G/1V8F-P6G_decoys.pdbqt | data/1V/1V8F-P6G/1V8F-P6G_decoy_scores.csv |
1V4S-MRK | data/1V/1V4S-MRK/1V4S-MRK_ligand.pdbqt | data/1V/1V4S-MRK/1V4S-MRK_target.pdbqt | data/1V/1V4S-MRK/1V4S-MRK_decoys.pdbqt | data/1V/1V4S-MRK/1V4S-MRK_decoy_scores.csv |
1VA5-SOG | data/1V/1VA5-SOG/1VA5-SOG_ligand.pdbqt | data/1V/1VA5-SOG/1VA5-SOG_target.pdbqt | data/1V/1VA5-SOG/1VA5-SOG_decoys.pdbqt | data/1V/1VA5-SOG/1VA5-SOG_decoy_scores.csv |
1VPE-ANP | data/1V/1VPE-ANP/1VPE-ANP_ligand.pdbqt | data/1V/1VPE-ANP/1VPE-ANP_target.pdbqt | data/1V/1VPE-ANP/1VPE-ANP_decoys.pdbqt | data/1V/1VPE-ANP/1VPE-ANP_decoy_scores.csv |
1VJ3-TAB | data/1V/1VJ3-TAB/1VJ3-TAB_ligand.pdbqt | data/1V/1VJ3-TAB/1VJ3-TAB_target.pdbqt | data/1V/1VJ3-TAB/1VJ3-TAB_decoys.pdbqt | data/1V/1VJ3-TAB/1VJ3-TAB_decoy_scores.csv |
1VP8-FMN | data/1V/1VP8-FMN/1VP8-FMN_ligand.pdbqt | data/1V/1VP8-FMN/1VP8-FMN_target.pdbqt | data/1V/1VP8-FMN/1VP8-FMN_decoys.pdbqt | data/1V/1VP8-FMN/1VP8-FMN_decoy_scores.csv |
1V2W-ANH | data/1V/1V2W-ANH/1V2W-ANH_ligand.pdbqt | data/1V/1V2W-ANH/1V2W-ANH_target.pdbqt | data/1V/1V2W-ANH/1V2W-ANH_decoys.pdbqt | data/1V/1V2W-ANH/1V2W-ANH_decoy_scores.csv |
1VRQ-FON | data/1V/1VRQ-FON/1VRQ-FON_ligand.pdbqt | data/1V/1VRQ-FON/1VRQ-FON_target.pdbqt | data/1V/1VRQ-FON/1VRQ-FON_decoys.pdbqt | data/1V/1VRQ-FON/1VRQ-FON_decoy_scores.csv |
1V2T-ANH | data/1V/1V2T-ANH/1V2T-ANH_ligand.pdbqt | data/1V/1V2T-ANH/1V2T-ANH_target.pdbqt | data/1V/1V2T-ANH/1V2T-ANH_decoys.pdbqt | data/1V/1V2T-ANH/1V2T-ANH_decoy_scores.csv |
1V54-DMU | data/1V/1V54-DMU/1V54-DMU_ligand.pdbqt | data/1V/1V54-DMU/1V54-DMU_target.pdbqt | data/1V/1V54-DMU/1V54-DMU_decoys.pdbqt | data/1V/1V54-DMU/1V54-DMU_decoy_scores.csv |
1V0M-XYP | data/1V/1V0M-XYP/1V0M-XYP_ligand.pdbqt | data/1V/1V0M-XYP/1V0M-XYP_target.pdbqt | data/1V/1V0M-XYP/1V0M-XYP_decoys.pdbqt | data/1V/1V0M-XYP/1V0M-XYP_decoy_scores.csv |
1V39-SAH | data/1V/1V39-SAH/1V39-SAH_ligand.pdbqt | data/1V/1V39-SAH/1V39-SAH_target.pdbqt | data/1V/1V39-SAH/1V39-SAH_decoys.pdbqt | data/1V/1V39-SAH/1V39-SAH_decoy_scores.csv |
1VCE-SAH | data/1V/1VCE-SAH/1VCE-SAH_ligand.pdbqt | data/1V/1VCE-SAH/1VCE-SAH_target.pdbqt | data/1V/1VCE-SAH/1VCE-SAH_decoys.pdbqt | data/1V/1VCE-SAH/1VCE-SAH_decoy_scores.csv |
1VF3-GDN | data/1V/1VF3-GDN/1VF3-GDN_ligand.pdbqt | data/1V/1VF3-GDN/1VF3-GDN_target.pdbqt | data/1V/1VF3-GDN/1VF3-GDN_decoys.pdbqt | data/1V/1VF3-GDN/1VF3-GDN_decoy_scores.csv |
1VA6-P2S | data/1V/1VA6-P2S/1VA6-P2S_ligand.pdbqt | data/1V/1VA6-P2S/1VA6-P2S_target.pdbqt | data/1V/1VA6-P2S/1VA6-P2S_decoys.pdbqt | data/1V/1VA6-P2S/1VA6-P2S_decoy_scores.csv |
1VID-DNC | data/1V/1VID-DNC/1VID-DNC_ligand.pdbqt | data/1V/1VID-DNC/1VID-DNC_target.pdbqt | data/1V/1VID-DNC/1VID-DNC_decoys.pdbqt | data/1V/1VID-DNC/1VID-DNC_decoy_scores.csv |
1VD1-AMP | data/1V/1VD1-AMP/1VD1-AMP_ligand.pdbqt | data/1V/1VD1-AMP/1VD1-AMP_target.pdbqt | data/1V/1VD1-AMP/1VD1-AMP_decoys.pdbqt | data/1V/1VD1-AMP/1VD1-AMP_decoy_scores.csv |
1V2F-HCI | data/1V/1V2F-HCI/1V2F-HCI_ligand.pdbqt | data/1V/1V2F-HCI/1V2F-HCI_target.pdbqt | data/1V/1V2F-HCI/1V2F-HCI_decoys.pdbqt | data/1V/1V2F-HCI/1V2F-HCI_decoy_scores.csv |
1VPO-TES | data/1V/1VPO-TES/1VPO-TES_ligand.pdbqt | data/1V/1VPO-TES/1VPO-TES_target.pdbqt | data/1V/1VPO-TES/1VPO-TES_decoys.pdbqt | data/1V/1VPO-TES/1VPO-TES_decoy_scores.csv |
1V2J-BEN | data/1V/1V2J-BEN/1V2J-BEN_ligand.pdbqt | data/1V/1V2J-BEN/1V2J-BEN_target.pdbqt | data/1V/1V2J-BEN/1V2J-BEN_decoys.pdbqt | data/1V/1V2J-BEN/1V2J-BEN_decoy_scores.csv |
1V9Q-CZM | data/1V/1V9Q-CZM/1V9Q-CZM_ligand.pdbqt | data/1V/1V9Q-CZM/1V9Q-CZM_target.pdbqt | data/1V/1V9Q-CZM/1V9Q-CZM_decoys.pdbqt | data/1V/1V9Q-CZM/1V9Q-CZM_decoy_scores.csv |
1VAY-AZA | data/1V/1VAY-AZA/1VAY-AZA_ligand.pdbqt | data/1V/1VAY-AZA/1VAY-AZA_target.pdbqt | data/1V/1VAY-AZA/1VAY-AZA_decoys.pdbqt | data/1V/1VAY-AZA/1VAY-AZA_decoy_scores.csv |
1VD3-U2P | data/1V/1VD3-U2P/1VD3-U2P_ligand.pdbqt | data/1V/1VD3-U2P/1VD3-U2P_target.pdbqt | data/1V/1VD3-U2P/1VD3-U2P_decoys.pdbqt | data/1V/1VD3-U2P/1VD3-U2P_decoy_scores.csv |
1V7C-HEY | data/1V/1V7C-HEY/1V7C-HEY_ligand.pdbqt | data/1V/1V7C-HEY/1V7C-HEY_target.pdbqt | data/1V/1V7C-HEY/1V7C-HEY_decoys.pdbqt | data/1V/1V7C-HEY/1V7C-HEY_decoy_scores.csv |
1VB3-KPA | data/1V/1VB3-KPA/1VB3-KPA_ligand.pdbqt | data/1V/1VB3-KPA/1VB3-KPA_target.pdbqt | data/1V/1VB3-KPA/1VB3-KPA_decoys.pdbqt | data/1V/1VB3-KPA/1VB3-KPA_decoy_scores.csv |
1VDV-MTE | data/1V/1VDV-MTE/1VDV-MTE_ligand.pdbqt | data/1V/1VDV-MTE/1VDV-MTE_target.pdbqt | null | null |
1V9O-ADP | data/1V/1V9O-ADP/1V9O-ADP_ligand.pdbqt | data/1V/1V9O-ADP/1V9O-ADP_target.pdbqt | data/1V/1V9O-ADP/1V9O-ADP_decoys.pdbqt | data/1V/1V9O-ADP/1V9O-ADP_decoy_scores.csv |
1V5Y-4HC | data/1V/1V5Y-4HC/1V5Y-4HC_ligand.pdbqt | data/1V/1V5Y-4HC/1V5Y-4HC_target.pdbqt | data/1V/1V5Y-4HC/1V5Y-4HC_decoys.pdbqt | data/1V/1V5Y-4HC/1V5Y-4HC_decoy_scores.csv |
1VM1-TBE | data/1V/1VM1-TBE/1VM1-TBE_ligand.pdbqt | data/1V/1VM1-TBE/1VM1-TBE_target.pdbqt | data/1V/1VM1-TBE/1VM1-TBE_decoys.pdbqt | data/1V/1VM1-TBE/1VM1-TBE_decoy_scores.csv |
1V0C-KNC | data/1V/1V0C-KNC/1V0C-KNC_ligand.pdbqt | data/1V/1V0C-KNC/1V0C-KNC_target.pdbqt | data/1V/1V0C-KNC/1V0C-KNC_decoys.pdbqt | data/1V/1V0C-KNC/1V0C-KNC_decoy_scores.csv |
1VI2-NAD | data/1V/1VI2-NAD/1VI2-NAD_ligand.pdbqt | data/1V/1VI2-NAD/1VI2-NAD_target.pdbqt | data/1V/1VI2-NAD/1VI2-NAD_decoys.pdbqt | data/1V/1VI2-NAD/1VI2-NAD_decoy_scores.csv |
1V0Y-HI5 | data/1V/1V0Y-HI5/1V0Y-HI5_ligand.pdbqt | data/1V/1V0Y-HI5/1V0Y-HI5_target.pdbqt | data/1V/1V0Y-HI5/1V0Y-HI5_decoys.pdbqt | data/1V/1V0Y-HI5/1V0Y-HI5_decoy_scores.csv |
1VP6-CMP | data/1V/1VP6-CMP/1VP6-CMP_ligand.pdbqt | data/1V/1VP6-CMP/1VP6-CMP_target.pdbqt | data/1V/1VP6-CMP/1VP6-CMP_decoys.pdbqt | data/1V/1VP6-CMP/1VP6-CMP_decoy_scores.csv |
1V1M-BEN | data/1V/1V1M-BEN/1V1M-BEN_ligand.pdbqt | data/1V/1V1M-BEN/1V1M-BEN_target.pdbqt | data/1V/1V1M-BEN/1V1M-BEN_decoys.pdbqt | data/1V/1V1M-BEN/1V1M-BEN_decoy_scores.csv |
1V39-M7G | data/1V/1V39-M7G/1V39-M7G_ligand.pdbqt | data/1V/1V39-M7G/1V39-M7G_target.pdbqt | data/1V/1V39-M7G/1V39-M7G_decoys.pdbqt | data/1V/1V39-M7G/1V39-M7G_decoy_scores.csv |
1VC8-5FA | data/1V/1VC8-5FA/1VC8-5FA_ligand.pdbqt | data/1V/1VC8-5FA/1VC8-5FA_target.pdbqt | data/1V/1VC8-5FA/1VC8-5FA_decoys.pdbqt | data/1V/1VC8-5FA/1VC8-5FA_decoy_scores.csv |
1V5Y-FMN | data/1V/1V5Y-FMN/1V5Y-FMN_ligand.pdbqt | data/1V/1V5Y-FMN/1V5Y-FMN_target.pdbqt | data/1V/1V5Y-FMN/1V5Y-FMN_decoys.pdbqt | data/1V/1V5Y-FMN/1V5Y-FMN_decoy_scores.csv |
1VS1-PEP | data/1V/1VS1-PEP/1VS1-PEP_ligand.pdbqt | data/1V/1VS1-PEP/1VS1-PEP_target.pdbqt | data/1V/1VS1-PEP/1VS1-PEP_decoys.pdbqt | data/1V/1VS1-PEP/1VS1-PEP_decoy_scores.csv |
1VQ2-DDN | data/1V/1VQ2-DDN/1VQ2-DDN_ligand.pdbqt | data/1V/1VQ2-DDN/1VQ2-DDN_target.pdbqt | data/1V/1VQ2-DDN/1VQ2-DDN_decoys.pdbqt | data/1V/1VQ2-DDN/1VQ2-DDN_decoy_scores.csv |
1VK5-CPS | data/1V/1VK5-CPS/1VK5-CPS_ligand.pdbqt | data/1V/1VK5-CPS/1VK5-CPS_target.pdbqt | data/1V/1VK5-CPS/1VK5-CPS_decoys.pdbqt | data/1V/1VK5-CPS/1VK5-CPS_decoy_scores.csv |
1V7U-FPP | data/1V/1V7U-FPP/1V7U-FPP_ligand.pdbqt | data/1V/1V7U-FPP/1V7U-FPP_target.pdbqt | data/1V/1V7U-FPP/1V7U-FPP_decoys.pdbqt | data/1V/1V7U-FPP/1V7U-FPP_decoy_scores.csv |
1V55-DMU | data/1V/1V55-DMU/1V55-DMU_ligand.pdbqt | data/1V/1V55-DMU/1V55-DMU_target.pdbqt | data/1V/1V55-DMU/1V55-DMU_decoys.pdbqt | data/1V/1V55-DMU/1V55-DMU_decoy_scores.csv |
1V16-BEN | data/1V/1V16-BEN/1V16-BEN_ligand.pdbqt | data/1V/1V16-BEN/1V16-BEN_target.pdbqt | data/1V/1V16-BEN/1V16-BEN_decoys.pdbqt | data/1V/1V16-BEN/1V16-BEN_decoy_scores.csv |
1VPE-3PG | data/1V/1VPE-3PG/1VPE-3PG_ligand.pdbqt | data/1V/1VPE-3PG/1VPE-3PG_target.pdbqt | data/1V/1VPE-3PG/1VPE-3PG_decoys.pdbqt | data/1V/1VPE-3PG/1VPE-3PG_decoy_scores.csv |
1VID-SAM | data/1V/1VID-SAM/1VID-SAM_ligand.pdbqt | data/1V/1VID-SAM/1VID-SAM_target.pdbqt | data/1V/1VID-SAM/1VID-SAM_decoys.pdbqt | data/1V/1VID-SAM/1VID-SAM_decoy_scores.csv |
1V8V-APR | data/1V/1V8V-APR/1V8V-APR_ligand.pdbqt | data/1V/1V8V-APR/1V8V-APR_target.pdbqt | data/1V/1V8V-APR/1V8V-APR_decoys.pdbqt | data/1V/1V8V-APR/1V8V-APR_decoy_scores.csv |
1VP9-SAH | data/1V/1VP9-SAH/1VP9-SAH_ligand.pdbqt | data/1V/1VP9-SAH/1VP9-SAH_target.pdbqt | data/1V/1VP9-SAH/1VP9-SAH_decoys.pdbqt | data/1V/1VP9-SAH/1VP9-SAH_decoy_scores.csv |
1VYF-OLA | data/1V/1VYF-OLA/1VYF-OLA_ligand.pdbqt | data/1V/1VYF-OLA/1VYF-OLA_target.pdbqt | data/1V/1VYF-OLA/1VYF-OLA_decoys.pdbqt | data/1V/1VYF-OLA/1VYF-OLA_decoy_scores.csv |
1VRU-AAP | data/1V/1VRU-AAP/1VRU-AAP_ligand.pdbqt | data/1V/1VRU-AAP/1VRU-AAP_target.pdbqt | data/1V/1VRU-AAP/1VRU-AAP_decoys.pdbqt | data/1V/1VRU-AAP/1VRU-AAP_decoy_scores.csv |
1VJ7-GPX | data/1V/1VJ7-GPX/1VJ7-GPX_ligand.pdbqt | data/1V/1VJ7-GPX/1VJ7-GPX_target.pdbqt | data/1V/1VJ7-GPX/1VJ7-GPX_decoys.pdbqt | data/1V/1VJ7-GPX/1VJ7-GPX_decoy_scores.csv |
1VZC-UFP | data/1V/1VZC-UFP/1VZC-UFP_ligand.pdbqt | data/1V/1VZC-UFP/1VZC-UFP_target.pdbqt | data/1V/1VZC-UFP/1VZC-UFP_decoys.pdbqt | data/1V/1VZC-UFP/1VZC-UFP_decoy_scores.csv |
1V0K-XYP | data/1V/1V0K-XYP/1V0K-XYP_ligand.pdbqt | data/1V/1V0K-XYP/1V0K-XYP_target.pdbqt | data/1V/1V0K-XYP/1V0K-XYP_decoys.pdbqt | data/1V/1V0K-XYP/1V0K-XYP_decoy_scores.csv |
1V11-BEN | data/1V/1V11-BEN/1V11-BEN_ligand.pdbqt | data/1V/1V11-BEN/1V11-BEN_target.pdbqt | data/1V/1V11-BEN/1V11-BEN_decoys.pdbqt | data/1V/1V11-BEN/1V11-BEN_decoy_scores.csv |
1V2U-BEN | data/1V/1V2U-BEN/1V2U-BEN_ligand.pdbqt | data/1V/1V2U-BEN/1V2U-BEN_target.pdbqt | data/1V/1V2U-BEN/1V2U-BEN_decoys.pdbqt | data/1V/1V2U-BEN/1V2U-BEN_decoy_scores.csv |
1VJM-RET | data/1V/1VJM-RET/1VJM-RET_ligand.pdbqt | data/1V/1VJM-RET/1VJM-RET_target.pdbqt | data/1V/1VJM-RET/1VJM-RET_decoys.pdbqt | data/1V/1VJM-RET/1VJM-RET_decoy_scores.csv |
1VAG-H4B | data/1V/1VAG-H4B/1VAG-H4B_ligand.pdbqt | data/1V/1VAG-H4B/1VAG-H4B_target.pdbqt | data/1V/1VAG-H4B/1VAG-H4B_decoys.pdbqt | data/1V/1VAG-H4B/1VAG-H4B_decoy_scores.csv |
1V1K-3FP | data/1V/1V1K-3FP/1V1K-3FP_ligand.pdbqt | data/1V/1V1K-3FP/1V1K-3FP_target.pdbqt | data/1V/1V1K-3FP/1V1K-3FP_decoys.pdbqt | data/1V/1V1K-3FP/1V1K-3FP_decoy_scores.csv |
1VDV-YSH | data/1V/1VDV-YSH/1VDV-YSH_ligand.pdbqt | data/1V/1VDV-YSH/1VDV-YSH_target.pdbqt | null | null |
1VOM-ADP | data/1V/1VOM-ADP/1VOM-ADP_ligand.pdbqt | data/1V/1VOM-ADP/1VOM-ADP_target.pdbqt | null | null |
1VBI-NAD | data/1V/1VBI-NAD/1VBI-NAD_ligand.pdbqt | data/1V/1VBI-NAD/1VBI-NAD_target.pdbqt | data/1V/1VBI-NAD/1VBI-NAD_decoys.pdbqt | data/1V/1VBI-NAD/1VBI-NAD_decoy_scores.csv |
1VHN-FMN | data/1V/1VHN-FMN/1VHN-FMN_ligand.pdbqt | data/1V/1VHN-FMN/1VHN-FMN_target.pdbqt | data/1V/1VHN-FMN/1VHN-FMN_decoys.pdbqt | data/1V/1VHN-FMN/1VHN-FMN_decoy_scores.csv |
1VHL-ADP | data/1V/1VHL-ADP/1VHL-ADP_ligand.pdbqt | data/1V/1VHL-ADP/1VHL-ADP_target.pdbqt | data/1V/1VHL-ADP/1VHL-ADP_decoys.pdbqt | data/1V/1VHL-ADP/1VHL-ADP_decoy_scores.csv |
1VJ7-GDP | data/1V/1VJ7-GDP/1VJ7-GDP_ligand.pdbqt | data/1V/1VJ7-GDP/1VJ7-GDP_target.pdbqt | data/1V/1VJ7-GDP/1VJ7-GDP_decoys.pdbqt | data/1V/1VJ7-GDP/1VJ7-GDP_decoy_scores.csv |
1VJC-ATP | data/1V/1VJC-ATP/1VJC-ATP_ligand.pdbqt | data/1V/1VJC-ATP/1VJC-ATP_target.pdbqt | data/1V/1VJC-ATP/1VJC-ATP_decoys.pdbqt | data/1V/1VJC-ATP/1VJC-ATP_decoy_scores.csv |
1VYZ-N5B | data/1V/1VYZ-N5B/1VYZ-N5B_ligand.pdbqt | data/1V/1VYZ-N5B/1VYZ-N5B_target.pdbqt | data/1V/1VYZ-N5B/1VYZ-N5B_decoys.pdbqt | data/1V/1VYZ-N5B/1VYZ-N5B_decoy_scores.csv |
1VL0-NAI | data/1V/1VL0-NAI/1VL0-NAI_ligand.pdbqt | data/1V/1VL0-NAI/1VL0-NAI_target.pdbqt | data/1V/1VL0-NAI/1VL0-NAI_decoys.pdbqt | data/1V/1VL0-NAI/1VL0-NAI_decoy_scores.csv |
1VRQ-NAD | data/1V/1VRQ-NAD/1VRQ-NAD_ligand.pdbqt | data/1V/1VRQ-NAD/1VRQ-NAD_target.pdbqt | data/1V/1VRQ-NAD/1VRQ-NAD_decoys.pdbqt | data/1V/1VRQ-NAD/1VRQ-NAD_decoy_scores.csv |
1VJ5-P6G | data/1V/1VJ5-P6G/1VJ5-P6G_ligand.pdbqt | data/1V/1VJ5-P6G/1VJ5-P6G_target.pdbqt | data/1V/1VJ5-P6G/1VJ5-P6G_decoys.pdbqt | data/1V/1VJ5-P6G/1VJ5-P6G_decoy_scores.csv |
1V7X-NDG | data/1V/1V7X-NDG/1V7X-NDG_ligand.pdbqt | data/1V/1V7X-NDG/1V7X-NDG_target.pdbqt | data/1V/1V7X-NDG/1V7X-NDG_decoys.pdbqt | data/1V/1V7X-NDG/1V7X-NDG_decoy_scores.csv |
1VRN-LDA | data/1V/1VRN-LDA/1VRN-LDA_ligand.pdbqt | data/1V/1VRN-LDA/1VRN-LDA_target.pdbqt | data/1V/1VRN-LDA/1VRN-LDA_decoys.pdbqt | data/1V/1VRN-LDA/1VRN-LDA_decoy_scores.csv |
1VG0-GDP | data/1V/1VG0-GDP/1VG0-GDP_ligand.pdbqt | data/1V/1VG0-GDP/1VG0-GDP_target.pdbqt | data/1V/1VG0-GDP/1VG0-GDP_decoys.pdbqt | data/1V/1VG0-GDP/1VG0-GDP_decoy_scores.csv |
1VZB-UMP | data/1V/1VZB-UMP/1VZB-UMP_ligand.pdbqt | data/1V/1VZB-UMP/1VZB-UMP_target.pdbqt | data/1V/1VZB-UMP/1VZB-UMP_decoys.pdbqt | data/1V/1VZB-UMP/1VZB-UMP_decoy_scores.csv |
1VCZ-5GP | data/1V/1VCZ-5GP/1VCZ-5GP_ligand.pdbqt | data/1V/1VCZ-5GP/1VCZ-5GP_target.pdbqt | data/1V/1VCZ-5GP/1VCZ-5GP_decoys.pdbqt | data/1V/1VCZ-5GP/1VCZ-5GP_decoy_scores.csv |
1VKP-MPO | data/1V/1VKP-MPO/1VKP-MPO_ligand.pdbqt | data/1V/1VKP-MPO/1VKP-MPO_target.pdbqt | data/1V/1VKP-MPO/1VKP-MPO_decoys.pdbqt | data/1V/1VKP-MPO/1VKP-MPO_decoy_scores.csv |
1V4B-FMN | data/1V/1V4B-FMN/1V4B-FMN_ligand.pdbqt | data/1V/1V4B-FMN/1V4B-FMN_target.pdbqt | data/1V/1V4B-FMN/1V4B-FMN_decoys.pdbqt | data/1V/1V4B-FMN/1V4B-FMN_decoy_scores.csv |
1V26-AMP | data/1V/1V26-AMP/1V26-AMP_ligand.pdbqt | data/1V/1V26-AMP/1V26-AMP_target.pdbqt | data/1V/1V26-AMP/1V26-AMP_decoys.pdbqt | data/1V/1V26-AMP/1V26-AMP_decoy_scores.csv |
1VCL-BTB | data/1V/1VCL-BTB/1VCL-BTB_ligand.pdbqt | data/1V/1VCL-BTB/1VCL-BTB_target.pdbqt | data/1V/1VCL-BTB/1VCL-BTB_decoys.pdbqt | data/1V/1VCL-BTB/1VCL-BTB_decoy_scores.csv |
1VIF-FOL | data/1V/1VIF-FOL/1VIF-FOL_ligand.pdbqt | data/1V/1VIF-FOL/1VIF-FOL_target.pdbqt | data/1V/1VIF-FOL/1VIF-FOL_decoys.pdbqt | data/1V/1VIF-FOL/1VIF-FOL_decoy_scores.csv |
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