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 ⌀ |
|---|---|---|---|---|
5AJO-A2G | data/5A/5AJO-A2G/5AJO-A2G_ligand.pdbqt | data/5A/5AJO-A2G/5AJO-A2G_target.pdbqt | data/5A/5AJO-A2G/5AJO-A2G_decoys.pdbqt | data/5A/5AJO-A2G/5AJO-A2G_decoy_scores.csv |
5AWZ-OLB | data/5A/5AWZ-OLB/5AWZ-OLB_ligand.pdbqt | data/5A/5AWZ-OLB/5AWZ-OLB_target.pdbqt | data/5A/5AWZ-OLB/5AWZ-OLB_decoys.pdbqt | data/5A/5AWZ-OLB/5AWZ-OLB_decoy_scores.csv |
5AHZ-RET | data/5A/5AHZ-RET/5AHZ-RET_ligand.pdbqt | data/5A/5AHZ-RET/5AHZ-RET_target.pdbqt | data/5A/5AHZ-RET/5AHZ-RET_decoys.pdbqt | data/5A/5AHZ-RET/5AHZ-RET_decoy_scores.csv |
5AAB-VGH | data/5A/5AAB-VGH/5AAB-VGH_ligand.pdbqt | data/5A/5AAB-VGH/5AAB-VGH_target.pdbqt | data/5A/5AAB-VGH/5AAB-VGH_decoys.pdbqt | data/5A/5AAB-VGH/5AAB-VGH_decoy_scores.csv |
5AM0-LWS | data/5A/5AM0-LWS/5AM0-LWS_ligand.pdbqt | data/5A/5AM0-LWS/5AM0-LWS_target.pdbqt | data/5A/5AM0-LWS/5AM0-LWS_decoys.pdbqt | data/5A/5AM0-LWS/5AM0-LWS_decoy_scores.csv |
5AFN-OJD | data/5A/5AFN-OJD/5AFN-OJD_ligand.pdbqt | data/5A/5AFN-OJD/5AFN-OJD_target.pdbqt | data/5A/5AFN-OJD/5AFN-OJD_decoys.pdbqt | data/5A/5AFN-OJD/5AFN-OJD_decoy_scores.csv |
5ALN-5ZM | data/5A/5ALN-5ZM/5ALN-5ZM_ligand.pdbqt | data/5A/5ALN-5ZM/5ALN-5ZM_target.pdbqt | data/5A/5ALN-5ZM/5ALN-5ZM_decoys.pdbqt | data/5A/5ALN-5ZM/5ALN-5ZM_decoy_scores.csv |
5A06-SOR | data/5A/5A06-SOR/5A06-SOR_ligand.pdbqt | data/5A/5A06-SOR/5A06-SOR_target.pdbqt | data/5A/5A06-SOR/5A06-SOR_decoys.pdbqt | data/5A/5A06-SOR/5A06-SOR_decoy_scores.csv |
5A3T-MMK | data/5A/5A3T-MMK/5A3T-MMK_ligand.pdbqt | data/5A/5A3T-MMK/5A3T-MMK_target.pdbqt | data/5A/5A3T-MMK/5A3T-MMK_decoys.pdbqt | data/5A/5A3T-MMK/5A3T-MMK_decoy_scores.csv |
5A3B-APR | data/5A/5A3B-APR/5A3B-APR_ligand.pdbqt | data/5A/5A3B-APR/5A3B-APR_target.pdbqt | data/5A/5A3B-APR/5A3B-APR_decoys.pdbqt | data/5A/5A3B-APR/5A3B-APR_decoy_scores.csv |
5AX1-C14 | data/5A/5AX1-C14/5AX1-C14_ligand.pdbqt | data/5A/5AX1-C14/5AX1-C14_target.pdbqt | data/5A/5AX1-C14/5AX1-C14_decoys.pdbqt | data/5A/5AX1-C14/5AX1-C14_decoy_scores.csv |
5ALZ-XQ9 | data/5A/5ALZ-XQ9/5ALZ-XQ9_ligand.pdbqt | data/5A/5ALZ-XQ9/5ALZ-XQ9_target.pdbqt | data/5A/5ALZ-XQ9/5ALZ-XQ9_decoys.pdbqt | data/5A/5ALZ-XQ9/5ALZ-XQ9_decoy_scores.csv |
5A27-TUT | data/5A/5A27-TUT/5A27-TUT_ligand.pdbqt | data/5A/5A27-TUT/5A27-TUT_target.pdbqt | data/5A/5A27-TUT/5A27-TUT_decoys.pdbqt | data/5A/5A27-TUT/5A27-TUT_decoy_scores.csv |
5APJ-76E | data/5A/5APJ-76E/5APJ-76E_ligand.pdbqt | data/5A/5APJ-76E/5APJ-76E_target.pdbqt | data/5A/5APJ-76E/5APJ-76E_decoys.pdbqt | data/5A/5APJ-76E/5APJ-76E_decoy_scores.csv |
5A6I-TCW | data/5A/5A6I-TCW/5A6I-TCW_ligand.pdbqt | data/5A/5A6I-TCW/5A6I-TCW_target.pdbqt | data/5A/5A6I-TCW/5A6I-TCW_decoys.pdbqt | data/5A/5A6I-TCW/5A6I-TCW_decoy_scores.csv |
5AX0-C14 | data/5A/5AX0-C14/5AX0-C14_ligand.pdbqt | data/5A/5AX0-C14/5AX0-C14_target.pdbqt | data/5A/5AX0-C14/5AX0-C14_decoys.pdbqt | data/5A/5AX0-C14/5AX0-C14_decoy_scores.csv |
5AX0-D12 | data/5A/5AX0-D12/5AX0-D12_ligand.pdbqt | data/5A/5AX0-D12/5AX0-D12_target.pdbqt | data/5A/5AX0-D12/5AX0-D12_decoys.pdbqt | data/5A/5AX0-D12/5AX0-D12_decoy_scores.csv |
5AJP-UDP | data/5A/5AJP-UDP/5AJP-UDP_ligand.pdbqt | data/5A/5AJP-UDP/5AJP-UDP_target.pdbqt | data/5A/5AJP-UDP/5AJP-UDP_decoys.pdbqt | data/5A/5AJP-UDP/5AJP-UDP_decoy_scores.csv |
5ABM-TXE | data/5A/5ABM-TXE/5ABM-TXE_ligand.pdbqt | data/5A/5ABM-TXE/5ABM-TXE_target.pdbqt | data/5A/5ABM-TXE/5ABM-TXE_decoys.pdbqt | data/5A/5ABM-TXE/5ABM-TXE_decoy_scores.csv |
5ADA-2SN | data/5A/5ADA-2SN/5ADA-2SN_ligand.pdbqt | data/5A/5ADA-2SN/5ADA-2SN_target.pdbqt | data/5A/5ADA-2SN/5ADA-2SN_decoys.pdbqt | data/5A/5ADA-2SN/5ADA-2SN_decoy_scores.csv |
5AYL-1PS | data/5A/5AYL-1PS/5AYL-1PS_ligand.pdbqt | data/5A/5AYL-1PS/5AYL-1PS_target.pdbqt | data/5A/5AYL-1PS/5AYL-1PS_decoys.pdbqt | data/5A/5AYL-1PS/5AYL-1PS_decoy_scores.csv |
5A2L-A2G | data/5A/5A2L-A2G/5A2L-A2G_ligand.pdbqt | data/5A/5A2L-A2G/5A2L-A2G_target.pdbqt | data/5A/5A2L-A2G/5A2L-A2G_decoys.pdbqt | data/5A/5A2L-A2G/5A2L-A2G_decoy_scores.csv |
5AK6-YPN | data/5A/5AK6-YPN/5AK6-YPN_ligand.pdbqt | data/5A/5AK6-YPN/5AK6-YPN_target.pdbqt | data/5A/5AK6-YPN/5AK6-YPN_decoys.pdbqt | data/5A/5AK6-YPN/5AK6-YPN_decoy_scores.csv |
5ADL-H4B | data/5A/5ADL-H4B/5ADL-H4B_ligand.pdbqt | data/5A/5ADL-H4B/5ADL-H4B_target.pdbqt | null | null |
5ARK-UMP | data/5A/5ARK-UMP/5ARK-UMP_ligand.pdbqt | data/5A/5ARK-UMP/5ARK-UMP_target.pdbqt | data/5A/5ARK-UMP/5ARK-UMP_decoys.pdbqt | data/5A/5ARK-UMP/5ARK-UMP_decoy_scores.csv |
5ADZ-KQS | data/5A/5ADZ-KQS/5ADZ-KQS_ligand.pdbqt | data/5A/5ADZ-KQS/5ADZ-KQS_target.pdbqt | data/5A/5ADZ-KQS/5ADZ-KQS_decoys.pdbqt | data/5A/5ADZ-KQS/5ADZ-KQS_decoy_scores.csv |
5AX1-OLB | data/5A/5AX1-OLB/5AX1-OLB_ligand.pdbqt | data/5A/5AX1-OLB/5AX1-OLB_target.pdbqt | data/5A/5AX1-OLB/5AX1-OLB_decoys.pdbqt | data/5A/5AX1-OLB/5AX1-OLB_decoy_scores.csv |
5AM4-MVJ | data/5A/5AM4-MVJ/5AM4-MVJ_ligand.pdbqt | data/5A/5AM4-MVJ/5AM4-MVJ_target.pdbqt | data/5A/5AM4-MVJ/5AM4-MVJ_decoys.pdbqt | data/5A/5AM4-MVJ/5AM4-MVJ_decoy_scores.csv |
5AYI-NHE | data/5A/5AYI-NHE/5AYI-NHE_ligand.pdbqt | data/5A/5AYI-NHE/5AYI-NHE_target.pdbqt | data/5A/5AYI-NHE/5AYI-NHE_decoys.pdbqt | data/5A/5AYI-NHE/5AYI-NHE_decoy_scores.csv |
5AZI-4NP | data/5A/5AZI-4NP/5AZI-4NP_ligand.pdbqt | data/5A/5AZI-4NP/5AZI-4NP_target.pdbqt | data/5A/5AZI-4NP/5AZI-4NP_decoys.pdbqt | data/5A/5AZI-4NP/5AZI-4NP_decoy_scores.csv |
5AQF-ADN | data/5A/5AQF-ADN/5AQF-ADN_ligand.pdbqt | data/5A/5AQF-ADN/5AQF-ADN_target.pdbqt | data/5A/5AQF-ADN/5AQF-ADN_decoys.pdbqt | data/5A/5AQF-ADN/5AQF-ADN_decoy_scores.csv |
5AFY-WCE | data/5A/5AFY-WCE/5AFY-WCE_ligand.pdbqt | data/5A/5AFY-WCE/5AFY-WCE_target.pdbqt | data/5A/5AFY-WCE/5AFY-WCE_decoys.pdbqt | data/5A/5AFY-WCE/5AFY-WCE_decoy_scores.csv |
5AL2-O53 | data/5A/5AL2-O53/5AL2-O53_ligand.pdbqt | data/5A/5AL2-O53/5AL2-O53_target.pdbqt | data/5A/5AL2-O53/5AL2-O53_decoys.pdbqt | data/5A/5AL2-O53/5AL2-O53_decoy_scores.csv |
5A1A-PTQ | data/5A/5A1A-PTQ/5A1A-PTQ_ligand.pdbqt | data/5A/5A1A-PTQ/5A1A-PTQ_target.pdbqt | data/5A/5A1A-PTQ/5A1A-PTQ_decoys.pdbqt | data/5A/5A1A-PTQ/5A1A-PTQ_decoy_scores.csv |
5AYN-OLC | data/5A/5AYN-OLC/5AYN-OLC_ligand.pdbqt | data/5A/5AYN-OLC/5AYN-OLC_target.pdbqt | data/5A/5AYN-OLC/5AYN-OLC_decoys.pdbqt | data/5A/5AYN-OLC/5AYN-OLC_decoy_scores.csv |
5ADM-9M9 | data/5A/5ADM-9M9/5ADM-9M9_ligand.pdbqt | data/5A/5ADM-9M9/5ADM-9M9_target.pdbqt | null | null |
5AGL-H4B | data/5A/5AGL-H4B/5AGL-H4B_ligand.pdbqt | data/5A/5AGL-H4B/5AGL-H4B_target.pdbqt | data/5A/5AGL-H4B/5AGL-H4B_decoys.pdbqt | data/5A/5AGL-H4B/5AGL-H4B_decoy_scores.csv |
5AWZ-RET | data/5A/5AWZ-RET/5AWZ-RET_ligand.pdbqt | data/5A/5AWZ-RET/5AWZ-RET_target.pdbqt | data/5A/5AWZ-RET/5AWZ-RET_decoys.pdbqt | data/5A/5AWZ-RET/5AWZ-RET_decoy_scores.csv |
5ACW-RHU | data/5A/5ACW-RHU/5ACW-RHU_ligand.pdbqt | data/5A/5ACW-RHU/5ACW-RHU_target.pdbqt | data/5A/5ACW-RHU/5ACW-RHU_decoys.pdbqt | data/5A/5ACW-RHU/5ACW-RHU_decoy_scores.csv |
5ABP-GLA | data/5A/5ABP-GLA/5ABP-GLA_ligand.pdbqt | data/5A/5ABP-GLA/5ABP-GLA_target.pdbqt | data/5A/5ABP-GLA/5ABP-GLA_decoys.pdbqt | data/5A/5ABP-GLA/5ABP-GLA_decoy_scores.csv |
5ABH-YWN | data/5A/5ABH-YWN/5ABH-YWN_ligand.pdbqt | data/5A/5ABH-YWN/5ABH-YWN_target.pdbqt | data/5A/5ABH-YWN/5ABH-YWN_decoys.pdbqt | data/5A/5ABH-YWN/5ABH-YWN_decoy_scores.csv |
5APH-VYI | data/5A/5APH-VYI/5APH-VYI_ligand.pdbqt | data/5A/5APH-VYI/5APH-VYI_target.pdbqt | data/5A/5APH-VYI/5APH-VYI_decoys.pdbqt | data/5A/5APH-VYI/5APH-VYI_decoy_scores.csv |
5AQJ-Q88 | data/5A/5AQJ-Q88/5AQJ-Q88_ligand.pdbqt | data/5A/5AQJ-Q88/5AQJ-Q88_target.pdbqt | data/5A/5AQJ-Q88/5AQJ-Q88_decoys.pdbqt | data/5A/5AQJ-Q88/5AQJ-Q88_decoy_scores.csv |
5AQH-ZVO | data/5A/5AQH-ZVO/5AQH-ZVO_ligand.pdbqt | data/5A/5AQH-ZVO/5AQH-ZVO_target.pdbqt | data/5A/5AQH-ZVO/5AQH-ZVO_decoys.pdbqt | data/5A/5AQH-ZVO/5AQH-ZVO_decoy_scores.csv |
5A69-OGN | data/5A/5A69-OGN/5A69-OGN_ligand.pdbqt | data/5A/5A69-OGN/5A69-OGN_target.pdbqt | data/5A/5A69-OGN/5A69-OGN_decoys.pdbqt | data/5A/5A69-OGN/5A69-OGN_decoy_scores.csv |
5AFV-JH5 | data/5A/5AFV-JH5/5AFV-JH5_ligand.pdbqt | data/5A/5AFV-JH5/5AFV-JH5_target.pdbqt | data/5A/5AFV-JH5/5AFV-JH5_decoys.pdbqt | data/5A/5AFV-JH5/5AFV-JH5_decoy_scores.csv |
5ABF-XRJ | data/5A/5ABF-XRJ/5ABF-XRJ_ligand.pdbqt | data/5A/5ABF-XRJ/5ABF-XRJ_target.pdbqt | data/5A/5ABF-XRJ/5ABF-XRJ_decoys.pdbqt | data/5A/5ABF-XRJ/5ABF-XRJ_decoy_scores.csv |
5ANW-9CQ | data/5A/5ANW-9CQ/5ANW-9CQ_ligand.pdbqt | data/5A/5ANW-9CQ/5ANW-9CQ_target.pdbqt | data/5A/5ANW-9CQ/5ANW-9CQ_decoys.pdbqt | data/5A/5ANW-9CQ/5ANW-9CQ_decoy_scores.csv |
5AKH-6NM | data/5A/5AKH-6NM/5AKH-6NM_ligand.pdbqt | data/5A/5AKH-6NM/5AKH-6NM_target.pdbqt | data/5A/5AKH-6NM/5AKH-6NM_decoys.pdbqt | data/5A/5AKH-6NM/5AKH-6NM_decoy_scores.csv |
5A86-D7E | data/5A/5A86-D7E/5A86-D7E_ligand.pdbqt | data/5A/5A86-D7E/5A86-D7E_target.pdbqt | data/5A/5A86-D7E/5A86-D7E_decoys.pdbqt | data/5A/5A86-D7E/5A86-D7E_decoy_scores.csv |
5AOK-GOH | data/5A/5AOK-GOH/5AOK-GOH_ligand.pdbqt | data/5A/5AOK-GOH/5AOK-GOH_target.pdbqt | data/5A/5AOK-GOH/5AOK-GOH_decoys.pdbqt | data/5A/5AOK-GOH/5AOK-GOH_decoy_scores.csv |
5AAU-XBR | data/5A/5AAU-XBR/5AAU-XBR_ligand.pdbqt | data/5A/5AAU-XBR/5AAU-XBR_target.pdbqt | data/5A/5AAU-XBR/5AAU-XBR_decoys.pdbqt | data/5A/5AAU-XBR/5AAU-XBR_decoy_scores.csv |
5AQX-KC7 | data/5A/5AQX-KC7/5AQX-KC7_ligand.pdbqt | data/5A/5AQX-KC7/5AQX-KC7_target.pdbqt | data/5A/5AQX-KC7/5AQX-KC7_decoys.pdbqt | data/5A/5AQX-KC7/5AQX-KC7_decoy_scores.csv |
5A1G-S7M | data/5A/5A1G-S7M/5A1G-S7M_ligand.pdbqt | data/5A/5A1G-S7M/5A1G-S7M_target.pdbqt | data/5A/5A1G-S7M/5A1G-S7M_decoys.pdbqt | data/5A/5A1G-S7M/5A1G-S7M_decoy_scores.csv |
5A8A-ADP | data/5A/5A8A-ADP/5A8A-ADP_ligand.pdbqt | data/5A/5A8A-ADP/5A8A-ADP_target.pdbqt | data/5A/5A8A-ADP/5A8A-ADP_decoys.pdbqt | data/5A/5A8A-ADP/5A8A-ADP_decoy_scores.csv |
5AQY-ADN | data/5A/5AQY-ADN/5AQY-ADN_ligand.pdbqt | data/5A/5AQY-ADN/5AQY-ADN_target.pdbqt | data/5A/5AQY-ADN/5AQY-ADN_decoys.pdbqt | data/5A/5AQY-ADN/5AQY-ADN_decoy_scores.csv |
5AL4-WLH | data/5A/5AL4-WLH/5AL4-WLH_ligand.pdbqt | data/5A/5AL4-WLH/5AL4-WLH_target.pdbqt | data/5A/5AL4-WLH/5AL4-WLH_decoys.pdbqt | data/5A/5AL4-WLH/5AL4-WLH_decoy_scores.csv |
5ANT-RJE | data/5A/5ANT-RJE/5ANT-RJE_ligand.pdbqt | data/5A/5ANT-RJE/5ANT-RJE_target.pdbqt | data/5A/5ANT-RJE/5ANT-RJE_decoys.pdbqt | data/5A/5ANT-RJE/5ANT-RJE_decoy_scores.csv |
5AEP-QUP | data/5A/5AEP-QUP/5AEP-QUP_ligand.pdbqt | data/5A/5AEP-QUP/5AEP-QUP_target.pdbqt | data/5A/5AEP-QUP/5AEP-QUP_decoys.pdbqt | data/5A/5AEP-QUP/5AEP-QUP_decoy_scores.csv |
5AEZ-BNG | data/5A/5AEZ-BNG/5AEZ-BNG_ligand.pdbqt | data/5A/5AEZ-BNG/5AEZ-BNG_target.pdbqt | data/5A/5AEZ-BNG/5AEZ-BNG_decoys.pdbqt | data/5A/5AEZ-BNG/5AEZ-BNG_decoy_scores.csv |
5AKI-6NF | data/5A/5AKI-6NF/5AKI-6NF_ligand.pdbqt | data/5A/5AKI-6NF/5AKI-6NF_target.pdbqt | data/5A/5AKI-6NF/5AKI-6NF_decoys.pdbqt | data/5A/5AKI-6NF/5AKI-6NF_decoy_scores.csv |
5AE8-VVX | data/5A/5AE8-VVX/5AE8-VVX_ligand.pdbqt | data/5A/5AE8-VVX/5AE8-VVX_target.pdbqt | data/5A/5AE8-VVX/5AE8-VVX_decoys.pdbqt | data/5A/5AE8-VVX/5AE8-VVX_decoy_scores.csv |
5A6X-MFU | data/5A/5A6X-MFU/5A6X-MFU_ligand.pdbqt | data/5A/5A6X-MFU/5A6X-MFU_target.pdbqt | data/5A/5A6X-MFU/5A6X-MFU_decoys.pdbqt | data/5A/5A6X-MFU/5A6X-MFU_decoy_scores.csv |
5A2K-A2G | data/5A/5A2K-A2G/5A2K-A2G_ligand.pdbqt | data/5A/5A2K-A2G/5A2K-A2G_target.pdbqt | data/5A/5A2K-A2G/5A2K-A2G_decoys.pdbqt | data/5A/5A2K-A2G/5A2K-A2G_decoy_scores.csv |
5AKJ-6N4 | data/5A/5AKJ-6N4/5AKJ-6N4_ligand.pdbqt | data/5A/5AKJ-6N4/5AKJ-6N4_target.pdbqt | data/5A/5AKJ-6N4/5AKJ-6N4_decoys.pdbqt | data/5A/5AKJ-6N4/5AKJ-6N4_decoy_scores.csv |
5ADL-M85 | data/5A/5ADL-M85/5ADL-M85_ligand.pdbqt | data/5A/5ADL-M85/5ADL-M85_target.pdbqt | null | null |
5ALV-6TZ | data/5A/5ALV-6TZ/5ALV-6TZ_ligand.pdbqt | data/5A/5ALV-6TZ/5ALV-6TZ_target.pdbqt | data/5A/5ALV-6TZ/5ALV-6TZ_decoys.pdbqt | data/5A/5ALV-6TZ/5ALV-6TZ_decoy_scores.csv |
5A7Y-SAH | data/5A/5A7Y-SAH/5A7Y-SAH_ligand.pdbqt | data/5A/5A7Y-SAH/5A7Y-SAH_target.pdbqt | data/5A/5A7Y-SAH/5A7Y-SAH_decoys.pdbqt | data/5A/5A7Y-SAH/5A7Y-SAH_decoy_scores.csv |
5AOL-UFV | data/5A/5AOL-UFV/5AOL-UFV_ligand.pdbqt | data/5A/5AOL-UFV/5AOL-UFV_target.pdbqt | data/5A/5AOL-UFV/5AOL-UFV_decoys.pdbqt | data/5A/5AOL-UFV/5AOL-UFV_decoy_scores.csv |
5AP6-PWU | data/5A/5AP6-PWU/5AP6-PWU_ligand.pdbqt | data/5A/5AP6-PWU/5AP6-PWU_target.pdbqt | data/5A/5AP6-PWU/5AP6-PWU_decoys.pdbqt | data/5A/5AP6-PWU/5AP6-PWU_decoy_scores.csv |
5AX0-OLB | data/5A/5AX0-OLB/5AX0-OLB_ligand.pdbqt | data/5A/5AX0-OLB/5AX0-OLB_target.pdbqt | data/5A/5AX0-OLB/5AX0-OLB_decoys.pdbqt | data/5A/5AX0-OLB/5AX0-OLB_decoy_scores.csv |
5AR0-GB8 | data/5A/5AR0-GB8/5AR0-GB8_ligand.pdbqt | data/5A/5AR0-GB8/5AR0-GB8_target.pdbqt | data/5A/5AR0-GB8/5AR0-GB8_decoys.pdbqt | data/5A/5AR0-GB8/5AR0-GB8_decoy_scores.csv |
5AE2-FYC | data/5A/5AE2-FYC/5AE2-FYC_ligand.pdbqt | data/5A/5AE2-FYC/5AE2-FYC_target.pdbqt | data/5A/5AE2-FYC/5AE2-FYC_decoys.pdbqt | data/5A/5AE2-FYC/5AE2-FYC_decoy_scores.csv |
5AX1-RET | data/5A/5AX1-RET/5AX1-RET_ligand.pdbqt | data/5A/5AX1-RET/5AX1-RET_target.pdbqt | data/5A/5AX1-RET/5AX1-RET_decoys.pdbqt | data/5A/5AX1-RET/5AX1-RET_decoy_scores.csv |
5AML-51J | data/5A/5AML-51J/5AML-51J_ligand.pdbqt | data/5A/5AML-51J/5AML-51J_target.pdbqt | data/5A/5AML-51J/5AML-51J_decoys.pdbqt | data/5A/5AML-51J/5AML-51J_decoy_scores.csv |
5A2I-A2G | data/5A/5A2I-A2G/5A2I-A2G_ligand.pdbqt | data/5A/5A2I-A2G/5A2I-A2G_target.pdbqt | data/5A/5A2I-A2G/5A2I-A2G_decoys.pdbqt | data/5A/5A2I-A2G/5A2I-A2G_decoy_scores.csv |
5AE1-B2Z | data/5A/5AE1-B2Z/5AE1-B2Z_ligand.pdbqt | data/5A/5AE1-B2Z/5AE1-B2Z_target.pdbqt | data/5A/5AE1-B2Z/5AE1-B2Z_decoys.pdbqt | data/5A/5AE1-B2Z/5AE1-B2Z_decoy_scores.csv |
5AXU-ATP | data/5A/5AXU-ATP/5AXU-ATP_ligand.pdbqt | data/5A/5AXU-ATP/5AXU-ATP_target.pdbqt | data/5A/5AXU-ATP/5AXU-ATP_decoys.pdbqt | data/5A/5AXU-ATP/5AXU-ATP_decoy_scores.csv |
5AGP-VUR | data/5A/5AGP-VUR/5AGP-VUR_ligand.pdbqt | data/5A/5AGP-VUR/5AGP-VUR_target.pdbqt | data/5A/5AGP-VUR/5AGP-VUR_decoys.pdbqt | data/5A/5AGP-VUR/5AGP-VUR_decoy_scores.csv |
5AUZ-GEN | data/5A/5AUZ-GEN/5AUZ-GEN_ligand.pdbqt | data/5A/5AUZ-GEN/5AUZ-GEN_target.pdbqt | data/5A/5AUZ-GEN/5AUZ-GEN_decoys.pdbqt | data/5A/5AUZ-GEN/5AUZ-GEN_decoy_scores.csv |
5AIC-TGX | data/5A/5AIC-TGX/5AIC-TGX_ligand.pdbqt | data/5A/5AIC-TGX/5AIC-TGX_target.pdbqt | data/5A/5AIC-TGX/5AIC-TGX_decoys.pdbqt | data/5A/5AIC-TGX/5AIC-TGX_decoy_scores.csv |
5AD7-M85 | data/5A/5AD7-M85/5AD7-M85_ligand.pdbqt | data/5A/5AD7-M85/5AD7-M85_target.pdbqt | data/5A/5AD7-M85/5AD7-M85_decoys.pdbqt | data/5A/5AD7-M85/5AD7-M85_decoy_scores.csv |
5AJW-S6L | data/5A/5AJW-S6L/5AJW-S6L_ligand.pdbqt | data/5A/5AJW-S6L/5AJW-S6L_target.pdbqt | data/5A/5AJW-S6L/5AJW-S6L_decoys.pdbqt | data/5A/5AJW-S6L/5AJW-S6L_decoy_scores.csv |
5A44-RET | data/5A/5A44-RET/5A44-RET_ligand.pdbqt | data/5A/5A44-RET/5A44-RET_target.pdbqt | data/5A/5A44-RET/5A44-RET_decoys.pdbqt | data/5A/5A44-RET/5A44-RET_decoy_scores.csv |
5A19-PPK | data/5A/5A19-PPK/5A19-PPK_ligand.pdbqt | data/5A/5A19-PPK/5A19-PPK_target.pdbqt | data/5A/5A19-PPK/5A19-PPK_decoys.pdbqt | data/5A/5A19-PPK/5A19-PPK_decoy_scores.csv |
5AX1-D10 | data/5A/5AX1-D10/5AX1-D10_ligand.pdbqt | data/5A/5AX1-D10/5AX1-D10_target.pdbqt | data/5A/5AX1-D10/5AX1-D10_decoys.pdbqt | data/5A/5AX1-D10/5AX1-D10_decoy_scores.csv |
5ALU-HD2 | data/5A/5ALU-HD2/5ALU-HD2_ligand.pdbqt | data/5A/5ALU-HD2/5ALU-HD2_target.pdbqt | data/5A/5ALU-HD2/5ALU-HD2_decoys.pdbqt | data/5A/5ALU-HD2/5ALU-HD2_decoy_scores.csv |
5AA9-5P8 | data/5A/5AA9-5P8/5AA9-5P8_ligand.pdbqt | data/5A/5AA9-5P8/5AA9-5P8_target.pdbqt | data/5A/5AA9-5P8/5AA9-5P8_decoys.pdbqt | data/5A/5AA9-5P8/5AA9-5P8_decoy_scores.csv |
5A92-CEF | data/5A/5A92-CEF/5A92-CEF_ligand.pdbqt | data/5A/5A92-CEF/5A92-CEF_target.pdbqt | data/5A/5A92-CEF/5A92-CEF_decoys.pdbqt | data/5A/5A92-CEF/5A92-CEF_decoy_scores.csv |
5AX9-4KT | data/5A/5AX9-4KT/5AX9-4KT_ligand.pdbqt | data/5A/5AX9-4KT/5AX9-4KT_target.pdbqt | data/5A/5AX9-4KT/5AX9-4KT_decoys.pdbqt | data/5A/5AX9-4KT/5AX9-4KT_decoy_scores.csv |
5AL3-TGW | data/5A/5AL3-TGW/5AL3-TGW_ligand.pdbqt | data/5A/5AL3-TGW/5AL3-TGW_target.pdbqt | data/5A/5AL3-TGW/5AL3-TGW_decoys.pdbqt | data/5A/5AL3-TGW/5AL3-TGW_decoy_scores.csv |
5AHW-POG | data/5A/5AHW-POG/5AHW-POG_ligand.pdbqt | data/5A/5AHW-POG/5AHW-POG_target.pdbqt | data/5A/5AHW-POG/5AHW-POG_decoys.pdbqt | data/5A/5AHW-POG/5AHW-POG_decoy_scores.csv |
5ARG-SAM | data/5A/5ARG-SAM/5ARG-SAM_ligand.pdbqt | data/5A/5ARG-SAM/5ARG-SAM_target.pdbqt | data/5A/5ARG-SAM/5ARG-SAM_decoys.pdbqt | data/5A/5ARG-SAM/5ARG-SAM_decoy_scores.csv |
5A7N-VAO | data/5A/5A7N-VAO/5A7N-VAO_ligand.pdbqt | data/5A/5A7N-VAO/5A7N-VAO_target.pdbqt | data/5A/5A7N-VAO/5A7N-VAO_decoys.pdbqt | data/5A/5A7N-VAO/5A7N-VAO_decoy_scores.csv |
5AM1-I5T | data/5A/5AM1-I5T/5AM1-I5T_ligand.pdbqt | data/5A/5AM1-I5T/5AM1-I5T_target.pdbqt | data/5A/5AM1-I5T/5AM1-I5T_decoys.pdbqt | data/5A/5AM1-I5T/5AM1-I5T_decoy_scores.csv |
5A8E-XTK | data/5A/5A8E-XTK/5A8E-XTK_ligand.pdbqt | data/5A/5A8E-XTK/5A8E-XTK_target.pdbqt | data/5A/5A8E-XTK/5A8E-XTK_decoys.pdbqt | data/5A/5A8E-XTK/5A8E-XTK_decoy_scores.csv |
5AXQ-4LK | data/5A/5AXQ-4LK/5AXQ-4LK_ligand.pdbqt | data/5A/5AXQ-4LK/5AXQ-4LK_target.pdbqt | data/5A/5AXQ-4LK/5AXQ-4LK_decoys.pdbqt | data/5A/5AXQ-4LK/5AXQ-4LK_decoy_scores.csv |
5AQP-1LQ | data/5A/5AQP-1LQ/5AQP-1LQ_ligand.pdbqt | data/5A/5AQP-1LQ/5AQP-1LQ_target.pdbqt | data/5A/5AQP-1LQ/5AQP-1LQ_decoys.pdbqt | data/5A/5AQP-1LQ/5AQP-1LQ_decoy_scores.csv |
5A7O-7WH | data/5A/5A7O-7WH/5A7O-7WH_ligand.pdbqt | data/5A/5A7O-7WH/5A7O-7WH_target.pdbqt | data/5A/5A7O-7WH/5A7O-7WH_decoys.pdbqt | data/5A/5A7O-7WH/5A7O-7WH_decoy_scores.csv |
5AUU-LU2 | data/5A/5AUU-LU2/5AUU-LU2_ligand.pdbqt | data/5A/5AUU-LU2/5AUU-LU2_target.pdbqt | data/5A/5AUU-LU2/5AUU-LU2_decoys.pdbqt | data/5A/5AUU-LU2/5AUU-LU2_decoy_scores.csv |
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