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 ⌀ |
|---|---|---|---|---|
4F9B-0SY | data/4F/4F9B-0SY/4F9B-0SY_ligand.pdbqt | data/4F/4F9B-0SY/4F9B-0SY_target.pdbqt | data/4F/4F9B-0SY/4F9B-0SY_decoys.pdbqt | data/4F/4F9B-0SY/4F9B-0SY_decoy_scores.csv |
4FTO-3HK | data/4F/4FTO-3HK/4FTO-3HK_ligand.pdbqt | data/4F/4FTO-3HK/4FTO-3HK_target.pdbqt | data/4F/4FTO-3HK/4FTO-3HK_decoys.pdbqt | data/4F/4FTO-3HK/4FTO-3HK_decoy_scores.csv |
4FH4-MA4 | data/4F/4FH4-MA4/4FH4-MA4_ligand.pdbqt | data/4F/4FH4-MA4/4FH4-MA4_target.pdbqt | data/4F/4FH4-MA4/4FH4-MA4_decoys.pdbqt | data/4F/4FH4-MA4/4FH4-MA4_decoy_scores.csv |
4FRS-0V6 | data/4F/4FRS-0V6/4FRS-0V6_ligand.pdbqt | data/4F/4FRS-0V6/4FRS-0V6_target.pdbqt | data/4F/4FRS-0V6/4FRS-0V6_decoys.pdbqt | data/4F/4FRS-0V6/4FRS-0V6_decoy_scores.csv |
4FKO-20K | data/4F/4FKO-20K/4FKO-20K_ligand.pdbqt | data/4F/4FKO-20K/4FKO-20K_target.pdbqt | data/4F/4FKO-20K/4FKO-20K_decoys.pdbqt | data/4F/4FKO-20K/4FKO-20K_decoy_scores.csv |
4FR8-NAD | data/4F/4FR8-NAD/4FR8-NAD_ligand.pdbqt | data/4F/4FR8-NAD/4FR8-NAD_target.pdbqt | data/4F/4FR8-NAD/4FR8-NAD_decoys.pdbqt | data/4F/4FR8-NAD/4FR8-NAD_decoy_scores.csv |
4F04-UTP | data/4F/4F04-UTP/4F04-UTP_ligand.pdbqt | data/4F/4F04-UTP/4F04-UTP_target.pdbqt | data/4F/4F04-UTP/4F04-UTP_decoys.pdbqt | data/4F/4F04-UTP/4F04-UTP_decoy_scores.csv |
4F1M-ACP | data/4F/4F1M-ACP/4F1M-ACP_ligand.pdbqt | data/4F/4F1M-ACP/4F1M-ACP_target.pdbqt | data/4F/4F1M-ACP/4F1M-ACP_decoys.pdbqt | data/4F/4F1M-ACP/4F1M-ACP_decoy_scores.csv |
4FQS-UMP | data/4F/4FQS-UMP/4FQS-UMP_ligand.pdbqt | data/4F/4FQS-UMP/4FQS-UMP_target.pdbqt | data/4F/4FQS-UMP/4FQS-UMP_decoys.pdbqt | data/4F/4FQS-UMP/4FQS-UMP_decoy_scores.csv |
4F7I-NAD | data/4F/4F7I-NAD/4F7I-NAD_ligand.pdbqt | data/4F/4F7I-NAD/4F7I-NAD_target.pdbqt | data/4F/4F7I-NAD/4F7I-NAD_decoys.pdbqt | data/4F/4F7I-NAD/4F7I-NAD_decoy_scores.csv |
4FFR-ATP | data/4F/4FFR-ATP/4FFR-ATP_ligand.pdbqt | data/4F/4FFR-ATP/4FFR-ATP_target.pdbqt | data/4F/4FFR-ATP/4FFR-ATP_decoys.pdbqt | data/4F/4FFR-ATP/4FFR-ATP_decoy_scores.csv |
4F5B-PTR | data/4F/4F5B-PTR/4F5B-PTR_ligand.pdbqt | data/4F/4F5B-PTR/4F5B-PTR_target.pdbqt | data/4F/4F5B-PTR/4F5B-PTR_decoys.pdbqt | data/4F/4F5B-PTR/4F5B-PTR_decoy_scores.csv |
4FKS-46K | data/4F/4FKS-46K/4FKS-46K_ligand.pdbqt | data/4F/4FKS-46K/4FKS-46K_target.pdbqt | data/4F/4FKS-46K/4FKS-46K_decoys.pdbqt | data/4F/4FKS-46K/4FKS-46K_decoy_scores.csv |
4FHP-UTP | data/4F/4FHP-UTP/4FHP-UTP_ligand.pdbqt | data/4F/4FHP-UTP/4FHP-UTP_target.pdbqt | data/4F/4FHP-UTP/4FHP-UTP_decoys.pdbqt | data/4F/4FHP-UTP/4FHP-UTP_decoy_scores.csv |
4FA7-OLC | data/4F/4FA7-OLC/4FA7-OLC_ligand.pdbqt | data/4F/4FA7-OLC/4FA7-OLC_target.pdbqt | data/4F/4FA7-OLC/4FA7-OLC_decoys.pdbqt | data/4F/4FA7-OLC/4FA7-OLC_decoy_scores.csv |
2RGA-GNP | data/2R/2RGA-GNP/2RGA-GNP_ligand.pdbqt | data/2R/2RGA-GNP/2RGA-GNP_target.pdbqt | data/2R/2RGA-GNP/2RGA-GNP_decoys.pdbqt | data/2R/2RGA-GNP/2RGA-GNP_decoy_scores.csv |
2R9N-Y14 | data/2R/2R9N-Y14/2R9N-Y14_ligand.pdbqt | data/2R/2R9N-Y14/2R9N-Y14_target.pdbqt | data/2R/2R9N-Y14/2R9N-Y14_decoys.pdbqt | data/2R/2R9N-Y14/2R9N-Y14_decoy_scores.csv |
2R01-FMN | data/2R/2R01-FMN/2R01-FMN_ligand.pdbqt | data/2R/2R01-FMN/2R01-FMN_target.pdbqt | data/2R/2R01-FMN/2R01-FMN_decoys.pdbqt | data/2R/2R01-FMN/2R01-FMN_decoy_scores.csv |
2RC3-NAD | data/2R/2RC3-NAD/2RC3-NAD_ligand.pdbqt | data/2R/2RC3-NAD/2RC3-NAD_target.pdbqt | data/2R/2RC3-NAD/2RC3-NAD_decoys.pdbqt | data/2R/2RC3-NAD/2RC3-NAD_decoy_scores.csv |
2RJ0-UDP | data/2R/2RJ0-UDP/2RJ0-UDP_ligand.pdbqt | data/2R/2RJ0-UDP/2RJ0-UDP_target.pdbqt | data/2R/2RJ0-UDP/2RJ0-UDP_decoys.pdbqt | data/2R/2RJ0-UDP/2RJ0-UDP_decoy_scores.csv |
2R40-20E | data/2R/2R40-20E/2R40-20E_ligand.pdbqt | data/2R/2R40-20E/2R40-20E_target.pdbqt | data/2R/2R40-20E/2R40-20E_decoys.pdbqt | data/2R/2R40-20E/2R40-20E_decoy_scores.csv |
2RDB-MPO | data/2R/2RDB-MPO/2RDB-MPO_ligand.pdbqt | data/2R/2RDB-MPO/2RDB-MPO_target.pdbqt | data/2R/2RDB-MPO/2RDB-MPO_decoys.pdbqt | data/2R/2RDB-MPO/2RDB-MPO_decoy_scores.csv |
2RB0-260 | data/2R/2RB0-260/2RB0-260_ligand.pdbqt | data/2R/2RB0-260/2RB0-260_target.pdbqt | data/2R/2RB0-260/2RB0-260_decoys.pdbqt | data/2R/2RB0-260/2RB0-260_decoy_scores.csv |
2REW-REW | data/2R/2REW-REW/2REW-REW_ligand.pdbqt | data/2R/2REW-REW/2REW-REW_target.pdbqt | data/2R/2REW-REW/2REW-REW_decoys.pdbqt | data/2R/2REW-REW/2REW-REW_decoy_scores.csv |
2R6W-LLB | data/2R/2R6W-LLB/2R6W-LLB_ligand.pdbqt | data/2R/2R6W-LLB/2R6W-LLB_target.pdbqt | data/2R/2R6W-LLB/2R6W-LLB_decoys.pdbqt | data/2R/2R6W-LLB/2R6W-LLB_decoy_scores.csv |
2R9C-GRD | data/2R/2R9C-GRD/2R9C-GRD_ligand.pdbqt | data/2R/2R9C-GRD/2R9C-GRD_target.pdbqt | data/2R/2R9C-GRD/2R9C-GRD_decoys.pdbqt | data/2R/2R9C-GRD/2R9C-GRD_decoy_scores.csv |
2RJ8-UDP | data/2R/2RJ8-UDP/2RJ8-UDP_ligand.pdbqt | data/2R/2RJ8-UDP/2RJ8-UDP_target.pdbqt | data/2R/2RJ8-UDP/2RJ8-UDP_decoys.pdbqt | data/2R/2RJ8-UDP/2RJ8-UDP_decoy_scores.csv |
2R14-TXD | data/2R/2R14-TXD/2R14-TXD_ligand.pdbqt | data/2R/2R14-TXD/2R14-TXD_target.pdbqt | data/2R/2R14-TXD/2R14-TXD_decoys.pdbqt | data/2R/2R14-TXD/2R14-TXD_decoy_scores.csv |
2RTF-BTN | data/2R/2RTF-BTN/2RTF-BTN_ligand.pdbqt | data/2R/2RTF-BTN/2RTF-BTN_target.pdbqt | data/2R/2RTF-BTN/2RTF-BTN_decoys.pdbqt | data/2R/2RTF-BTN/2RTF-BTN_decoy_scores.csv |
2RFS-AM8 | data/2R/2RFS-AM8/2RFS-AM8_ligand.pdbqt | data/2R/2RFS-AM8/2RFS-AM8_target.pdbqt | data/2R/2RFS-AM8/2RFS-AM8_decoys.pdbqt | data/2R/2RFS-AM8/2RFS-AM8_decoy_scores.csv |
2RGD-GNP | data/2R/2RGD-GNP/2RGD-GNP_ligand.pdbqt | data/2R/2RGD-GNP/2RGD-GNP_target.pdbqt | data/2R/2RGD-GNP/2RGD-GNP_decoys.pdbqt | data/2R/2RGD-GNP/2RGD-GNP_decoy_scores.csv |
2RIX-UDP | data/2R/2RIX-UDP/2RIX-UDP_ligand.pdbqt | data/2R/2RIX-UDP/2RIX-UDP_target.pdbqt | data/2R/2RIX-UDP/2RIX-UDP_decoys.pdbqt | data/2R/2RIX-UDP/2RIX-UDP_decoy_scores.csv |
2RKN-LP3 | data/2R/2RKN-LP3/2RKN-LP3_ligand.pdbqt | data/2R/2RKN-LP3/2RKN-LP3_target.pdbqt | data/2R/2RKN-LP3/2RKN-LP3_decoys.pdbqt | data/2R/2RKN-LP3/2RKN-LP3_decoy_scores.csv |
2RJ9-UDP | data/2R/2RJ9-UDP/2RJ9-UDP_ligand.pdbqt | data/2R/2RJ9-UDP/2RJ9-UDP_target.pdbqt | data/2R/2RJ9-UDP/2RJ9-UDP_decoys.pdbqt | data/2R/2RJ9-UDP/2RJ9-UDP_decoy_scores.csv |
2RTO-IMI | data/2R/2RTO-IMI/2RTO-IMI_ligand.pdbqt | data/2R/2RTO-IMI/2RTO-IMI_target.pdbqt | data/2R/2RTO-IMI/2RTO-IMI_decoys.pdbqt | data/2R/2RTO-IMI/2RTO-IMI_decoy_scores.csv |
2RHW-C0E | data/2R/2RHW-C0E/2RHW-C0E_ligand.pdbqt | data/2R/2RHW-C0E/2RHW-C0E_target.pdbqt | data/2R/2RHW-C0E/2RHW-C0E_decoys.pdbqt | data/2R/2RHW-C0E/2RHW-C0E_decoy_scores.csv |
2RBM-THP | data/2R/2RBM-THP/2RBM-THP_ligand.pdbqt | data/2R/2RBM-THP/2RBM-THP_target.pdbqt | data/2R/2RBM-THP/2RBM-THP_decoys.pdbqt | data/2R/2RBM-THP/2RBM-THP_decoy_scores.csv |
2R2N-KYN | data/2R/2R2N-KYN/2R2N-KYN_ligand.pdbqt | data/2R/2R2N-KYN/2R2N-KYN_target.pdbqt | data/2R/2R2N-KYN/2R2N-KYN_decoys.pdbqt | data/2R/2R2N-KYN/2R2N-KYN_decoy_scores.csv |
2RGC-GNP | data/2R/2RGC-GNP/2RGC-GNP_ligand.pdbqt | data/2R/2RGC-GNP/2RGC-GNP_target.pdbqt | data/2R/2RGC-GNP/2RGC-GNP_decoys.pdbqt | data/2R/2RGC-GNP/2RGC-GNP_decoy_scores.csv |
2R3X-GTX | data/2R/2R3X-GTX/2R3X-GTX_ligand.pdbqt | data/2R/2R3X-GTX/2R3X-GTX_target.pdbqt | data/2R/2R3X-GTX/2R3X-GTX_decoys.pdbqt | data/2R/2R3X-GTX/2R3X-GTX_decoy_scores.csv |
2RCL-T25 | data/2R/2RCL-T25/2RCL-T25_ligand.pdbqt | data/2R/2RCL-T25/2RCL-T25_target.pdbqt | data/2R/2RCL-T25/2RCL-T25_decoys.pdbqt | data/2R/2RCL-T25/2RCL-T25_decoy_scores.csv |
2RID-291 | data/2R/2RID-291/2RID-291_ligand.pdbqt | data/2R/2RID-291/2RID-291_target.pdbqt | data/2R/2RID-291/2RID-291_decoys.pdbqt | data/2R/2RID-291/2RID-291_decoy_scores.csv |
2RB2-263 | data/2R/2RB2-263/2RB2-263_ligand.pdbqt | data/2R/2RB2-263/2RB2-263_target.pdbqt | data/2R/2RB2-263/2RB2-263_decoys.pdbqt | data/2R/2RB2-263/2RB2-263_decoy_scores.csv |
2R4B-GW7 | data/2R/2R4B-GW7/2R4B-GW7_ligand.pdbqt | data/2R/2R4B-GW7/2R4B-GW7_target.pdbqt | data/2R/2R4B-GW7/2R4B-GW7_decoys.pdbqt | data/2R/2R4B-GW7/2R4B-GW7_decoy_scores.csv |
2RGM-G2F | data/2R/2RGM-G2F/2RGM-G2F_ligand.pdbqt | data/2R/2RGM-G2F/2RGM-G2F_target.pdbqt | data/2R/2RGM-G2F/2RGM-G2F_decoys.pdbqt | data/2R/2RGM-G2F/2RGM-G2F_decoy_scores.csv |
2R2E-KDE | data/2R/2R2E-KDE/2R2E-KDE_ligand.pdbqt | data/2R/2R2E-KDE/2R2E-KDE_target.pdbqt | data/2R/2R2E-KDE/2R2E-KDE_decoys.pdbqt | data/2R/2R2E-KDE/2R2E-KDE_decoy_scores.csv |
2RGE-GNP | data/2R/2RGE-GNP/2RGE-GNP_ligand.pdbqt | data/2R/2RGE-GNP/2RGE-GNP_target.pdbqt | data/2R/2RGE-GNP/2RGE-GNP_decoys.pdbqt | data/2R/2RGE-GNP/2RGE-GNP_decoy_scores.csv |
2R3I-SCF | data/2R/2R3I-SCF/2R3I-SCF_ligand.pdbqt | data/2R/2R3I-SCF/2R3I-SCF_target.pdbqt | data/2R/2R3I-SCF/2R3I-SCF_decoys.pdbqt | data/2R/2R3I-SCF/2R3I-SCF_decoy_scores.csv |
2RFI-SAH | data/2R/2RFI-SAH/2RFI-SAH_ligand.pdbqt | data/2R/2RFI-SAH/2RFI-SAH_target.pdbqt | data/2R/2RFI-SAH/2RFI-SAH_decoys.pdbqt | data/2R/2RFI-SAH/2RFI-SAH_decoy_scores.csv |
2RDU-FMN | data/2R/2RDU-FMN/2RDU-FMN_ligand.pdbqt | data/2R/2RDU-FMN/2RDU-FMN_target.pdbqt | data/2R/2RDU-FMN/2RDU-FMN_decoys.pdbqt | data/2R/2RDU-FMN/2RDU-FMN_decoy_scores.csv |
2RIF-AMP | data/2R/2RIF-AMP/2RIF-AMP_ligand.pdbqt | data/2R/2RIF-AMP/2RIF-AMP_target.pdbqt | null | null |
2RJ1-BHE | data/2R/2RJ1-BHE/2RJ1-BHE_ligand.pdbqt | data/2R/2RJ1-BHE/2RJ1-BHE_target.pdbqt | data/2R/2RJ1-BHE/2RJ1-BHE_decoys.pdbqt | data/2R/2RJ1-BHE/2RJ1-BHE_decoy_scores.csv |
2RIU-5RP | data/2R/2RIU-5RP/2RIU-5RP_ligand.pdbqt | data/2R/2RIU-5RP/2RIU-5RP_target.pdbqt | data/2R/2RIU-5RP/2RIU-5RP_decoys.pdbqt | data/2R/2RIU-5RP/2RIU-5RP_decoy_scores.csv |
2RJ9-AD7 | data/2R/2RJ9-AD7/2RJ9-AD7_ligand.pdbqt | data/2R/2RJ9-AD7/2RJ9-AD7_target.pdbqt | data/2R/2RJ9-AD7/2RJ9-AD7_decoys.pdbqt | data/2R/2RJ9-AD7/2RJ9-AD7_decoy_scores.csv |
2R75-01G | data/2R/2R75-01G/2R75-01G_ligand.pdbqt | data/2R/2R75-01G/2R75-01G_target.pdbqt | data/2R/2R75-01G/2R75-01G_decoys.pdbqt | data/2R/2R75-01G/2R75-01G_decoy_scores.csv |
2RTM-IMI | data/2R/2RTM-IMI/2RTM-IMI_ligand.pdbqt | data/2R/2RTM-IMI/2RTM-IMI_target.pdbqt | data/2R/2RTM-IMI/2RTM-IMI_decoys.pdbqt | data/2R/2RTM-IMI/2RTM-IMI_decoy_scores.csv |
2RCU-BUJ | data/2R/2RCU-BUJ/2RCU-BUJ_ligand.pdbqt | data/2R/2RCU-BUJ/2RCU-BUJ_target.pdbqt | data/2R/2RCU-BUJ/2RCU-BUJ_decoys.pdbqt | data/2R/2RCU-BUJ/2RCU-BUJ_decoy_scores.csv |
2RAB-NAD | data/2R/2RAB-NAD/2RAB-NAD_ligand.pdbqt | data/2R/2RAB-NAD/2RAB-NAD_target.pdbqt | data/2R/2RAB-NAD/2RAB-NAD_decoys.pdbqt | data/2R/2RAB-NAD/2RAB-NAD_decoy_scores.csv |
2RI0-BTB | data/2R/2RI0-BTB/2RI0-BTB_ligand.pdbqt | data/2R/2RI0-BTB/2RI0-BTB_target.pdbqt | data/2R/2RI0-BTB/2RI0-BTB_decoys.pdbqt | data/2R/2RI0-BTB/2RI0-BTB_decoy_scores.csv |
2RHR-EMO | data/2R/2RHR-EMO/2RHR-EMO_ligand.pdbqt | data/2R/2RHR-EMO/2RHR-EMO_target.pdbqt | data/2R/2RHR-EMO/2RHR-EMO_decoys.pdbqt | data/2R/2RHR-EMO/2RHR-EMO_decoy_scores.csv |
2RLB-M6D | data/2R/2RLB-M6D/2RLB-M6D_ligand.pdbqt | data/2R/2RLB-M6D/2RLB-M6D_target.pdbqt | data/2R/2RLB-M6D/2RLB-M6D_decoys.pdbqt | data/2R/2RLB-M6D/2RLB-M6D_decoy_scores.csv |
2R5E-QLP | data/2R/2R5E-QLP/2R5E-QLP_ligand.pdbqt | data/2R/2R5E-QLP/2R5E-QLP_target.pdbqt | data/2R/2R5E-QLP/2R5E-QLP_decoys.pdbqt | data/2R/2R5E-QLP/2R5E-QLP_decoy_scores.csv |
2R5C-C6P | data/2R/2R5C-C6P/2R5C-C6P_ligand.pdbqt | data/2R/2R5C-C6P/2R5C-C6P_target.pdbqt | data/2R/2R5C-C6P/2R5C-C6P_decoys.pdbqt | data/2R/2R5C-C6P/2R5C-C6P_decoy_scores.csv |
2R7L-ATP | data/2R/2R7L-ATP/2R7L-ATP_ligand.pdbqt | data/2R/2R7L-ATP/2R7L-ATP_target.pdbqt | data/2R/2R7L-ATP/2R7L-ATP_decoys.pdbqt | data/2R/2R7L-ATP/2R7L-ATP_decoy_scores.csv |
2R6S-BCN | data/2R/2R6S-BCN/2R6S-BCN_ligand.pdbqt | data/2R/2R6S-BCN/2R6S-BCN_target.pdbqt | data/2R/2R6S-BCN/2R6S-BCN_decoys.pdbqt | data/2R/2R6S-BCN/2R6S-BCN_decoy_scores.csv |
2RDT-FMN | data/2R/2RDT-FMN/2RDT-FMN_ligand.pdbqt | data/2R/2RDT-FMN/2RDT-FMN_target.pdbqt | data/2R/2RDT-FMN/2RDT-FMN_decoys.pdbqt | data/2R/2RDT-FMN/2RDT-FMN_decoy_scores.csv |
2R4T-PE3 | data/2R/2R4T-PE3/2R4T-PE3_ligand.pdbqt | data/2R/2R4T-PE3/2R4T-PE3_target.pdbqt | data/2R/2R4T-PE3/2R4T-PE3_decoys.pdbqt | data/2R/2R4T-PE3/2R4T-PE3_decoy_scores.csv |
2RIB-GMH | data/2R/2RIB-GMH/2RIB-GMH_ligand.pdbqt | data/2R/2RIB-GMH/2RIB-GMH_target.pdbqt | data/2R/2RIB-GMH/2RIB-GMH_decoys.pdbqt | data/2R/2RIB-GMH/2RIB-GMH_decoy_scores.csv |
2RHO-GSP | data/2R/2RHO-GSP/2RHO-GSP_ligand.pdbqt | data/2R/2RHO-GSP/2RHO-GSP_target.pdbqt | data/2R/2RHO-GSP/2RHO-GSP_decoys.pdbqt | data/2R/2RHO-GSP/2RHO-GSP_decoy_scores.csv |
2R4H-HIS | data/2R/2R4H-HIS/2R4H-HIS_ligand.pdbqt | data/2R/2R4H-HIS/2R4H-HIS_target.pdbqt | data/2R/2R4H-HIS/2R4H-HIS_decoys.pdbqt | data/2R/2R4H-HIS/2R4H-HIS_decoy_scores.csv |
2R3W-G3G | data/2R/2R3W-G3G/2R3W-G3G_ligand.pdbqt | data/2R/2R3W-G3G/2R3W-G3G_target.pdbqt | data/2R/2R3W-G3G/2R3W-G3G_decoys.pdbqt | data/2R/2R3W-G3G/2R3W-G3G_decoy_scores.csv |
2RL1-UD1 | data/2R/2RL1-UD1/2RL1-UD1_ligand.pdbqt | data/2R/2RL1-UD1/2RL1-UD1_target.pdbqt | data/2R/2RL1-UD1/2RL1-UD1_decoys.pdbqt | data/2R/2RL1-UD1/2RL1-UD1_decoy_scores.csv |
2RF2-MRX | data/2R/2RF2-MRX/2RF2-MRX_ligand.pdbqt | data/2R/2RF2-MRX/2RF2-MRX_target.pdbqt | data/2R/2RF2-MRX/2RF2-MRX_decoys.pdbqt | data/2R/2RF2-MRX/2RF2-MRX_decoy_scores.csv |
2R84-AMP | data/2R/2R84-AMP/2R84-AMP_ligand.pdbqt | data/2R/2R84-AMP/2R84-AMP_target.pdbqt | data/2R/2R84-AMP/2R84-AMP_decoys.pdbqt | data/2R/2R84-AMP/2R84-AMP_decoy_scores.csv |
2R3L-SCW | data/2R/2R3L-SCW/2R3L-SCW_ligand.pdbqt | data/2R/2R3L-SCW/2R3L-SCW_target.pdbqt | data/2R/2R3L-SCW/2R3L-SCW_decoys.pdbqt | data/2R/2R3L-SCW/2R3L-SCW_decoy_scores.csv |
2R2L-PB9 | data/2R/2R2L-PB9/2R2L-PB9_ligand.pdbqt | data/2R/2R2L-PB9/2R2L-PB9_target.pdbqt | data/2R/2R2L-PB9/2R2L-PB9_decoys.pdbqt | data/2R/2R2L-PB9/2R2L-PB9_decoy_scores.csv |
2RH4-EMO | data/2R/2RH4-EMO/2RH4-EMO_ligand.pdbqt | data/2R/2RH4-EMO/2RH4-EMO_target.pdbqt | data/2R/2RH4-EMO/2RH4-EMO_decoys.pdbqt | data/2R/2RH4-EMO/2RH4-EMO_decoy_scores.csv |
2RCT-RTL | data/2R/2RCT-RTL/2RCT-RTL_ligand.pdbqt | data/2R/2RCT-RTL/2RCT-RTL_target.pdbqt | data/2R/2RCT-RTL/2RCT-RTL_decoys.pdbqt | data/2R/2RCT-RTL/2RCT-RTL_decoy_scores.csv |
2RCH-243 | data/2R/2RCH-243/2RCH-243_ligand.pdbqt | data/2R/2RCH-243/2RCH-243_target.pdbqt | data/2R/2RCH-243/2RCH-243_decoys.pdbqt | data/2R/2RCH-243/2RCH-243_decoy_scores.csv |
2RJO-GAL | data/2R/2RJO-GAL/2RJO-GAL_ligand.pdbqt | data/2R/2RJO-GAL/2RJO-GAL_target.pdbqt | data/2R/2RJO-GAL/2RJO-GAL_decoys.pdbqt | data/2R/2RJO-GAL/2RJO-GAL_decoy_scores.csv |
2R7N-ADP | data/2R/2R7N-ADP/2R7N-ADP_ligand.pdbqt | data/2R/2R7N-ADP/2R7N-ADP_target.pdbqt | data/2R/2R7N-ADP/2R7N-ADP_decoys.pdbqt | data/2R/2R7N-ADP/2R7N-ADP_decoy_scores.csv |
2RHG-IGP | data/2R/2RHG-IGP/2RHG-IGP_ligand.pdbqt | data/2R/2RHG-IGP/2RHG-IGP_target.pdbqt | data/2R/2RHG-IGP/2RHG-IGP_decoys.pdbqt | data/2R/2RHG-IGP/2RHG-IGP_decoy_scores.csv |
2RNF-UM3 | data/2R/2RNF-UM3/2RNF-UM3_ligand.pdbqt | data/2R/2RNF-UM3/2RNF-UM3_target.pdbqt | data/2R/2RNF-UM3/2RNF-UM3_decoys.pdbqt | data/2R/2RNF-UM3/2RNF-UM3_decoy_scores.csv |
2RKF-AB1 | data/2R/2RKF-AB1/2RKF-AB1_ligand.pdbqt | data/2R/2RKF-AB1/2RKF-AB1_target.pdbqt | data/2R/2RKF-AB1/2RKF-AB1_decoys.pdbqt | data/2R/2RKF-AB1/2RKF-AB1_decoy_scores.csv |
2RDS-1PL | data/2R/2RDS-1PL/2RDS-1PL_ligand.pdbqt | data/2R/2RDS-1PL/2RDS-1PL_target.pdbqt | data/2R/2RDS-1PL/2RDS-1PL_decoys.pdbqt | data/2R/2RDS-1PL/2RDS-1PL_decoy_scores.csv |
2RTL-IMI | data/2R/2RTL-IMI/2RTL-IMI_ligand.pdbqt | data/2R/2RTL-IMI/2RTL-IMI_target.pdbqt | data/2R/2RTL-IMI/2RTL-IMI_decoys.pdbqt | data/2R/2RTL-IMI/2RTL-IMI_decoy_scores.csv |
2RHU-MLY | data/2R/2RHU-MLY/2RHU-MLY_ligand.pdbqt | data/2R/2RHU-MLY/2RHU-MLY_target.pdbqt | data/2R/2RHU-MLY/2RHU-MLY_decoys.pdbqt | data/2R/2RHU-MLY/2RHU-MLY_decoy_scores.csv |
2RTE-BTN | data/2R/2RTE-BTN/2RTE-BTN_ligand.pdbqt | data/2R/2RTE-BTN/2RTE-BTN_target.pdbqt | data/2R/2RTE-BTN/2RTE-BTN_decoys.pdbqt | data/2R/2RTE-BTN/2RTE-BTN_decoy_scores.csv |
2RJ5-UDP | data/2R/2RJ5-UDP/2RJ5-UDP_ligand.pdbqt | data/2R/2RJ5-UDP/2RJ5-UDP_target.pdbqt | data/2R/2RJ5-UDP/2RJ5-UDP_decoys.pdbqt | data/2R/2RJ5-UDP/2RJ5-UDP_decoy_scores.csv |
2R0D-4IP | data/2R/2R0D-4IP/2R0D-4IP_ligand.pdbqt | data/2R/2R0D-4IP/2R0D-4IP_target.pdbqt | data/2R/2R0D-4IP/2R0D-4IP_decoys.pdbqt | data/2R/2R0D-4IP/2R0D-4IP_decoy_scores.csv |
2RIY-BHE | data/2R/2RIY-BHE/2RIY-BHE_ligand.pdbqt | data/2R/2RIY-BHE/2RIY-BHE_target.pdbqt | data/2R/2RIY-BHE/2RIY-BHE_decoys.pdbqt | data/2R/2RIY-BHE/2RIY-BHE_decoy_scores.csv |
2RTK-GLL | data/2R/2RTK-GLL/2RTK-GLL_ligand.pdbqt | data/2R/2RTK-GLL/2RTK-GLL_target.pdbqt | data/2R/2RTK-GLL/2RTK-GLL_decoys.pdbqt | data/2R/2RTK-GLL/2RTK-GLL_decoy_scores.csv |
2R5T-ANP | data/2R/2R5T-ANP/2R5T-ANP_ligand.pdbqt | data/2R/2R5T-ANP/2R5T-ANP_target.pdbqt | data/2R/2R5T-ANP/2R5T-ANP_decoys.pdbqt | data/2R/2R5T-ANP/2R5T-ANP_decoy_scores.csv |
2R87-ADP | data/2R/2R87-ADP/2R87-ADP_ligand.pdbqt | data/2R/2R87-ADP/2R87-ADP_target.pdbqt | data/2R/2R87-ADP/2R87-ADP_decoys.pdbqt | data/2R/2R87-ADP/2R87-ADP_decoy_scores.csv |
2R2M-I50 | data/2R/2R2M-I50/2R2M-I50_ligand.pdbqt | data/2R/2R2M-I50/2R2M-I50_target.pdbqt | data/2R/2R2M-I50/2R2M-I50_decoys.pdbqt | data/2R/2R2M-I50/2R2M-I50_decoy_scores.csv |
2RTI-GLL | data/2R/2RTI-GLL/2RTI-GLL_ligand.pdbqt | data/2R/2RTI-GLL/2RTI-GLL_target.pdbqt | data/2R/2RTI-GLL/2RTI-GLL_decoys.pdbqt | data/2R/2RTI-GLL/2RTI-GLL_decoy_scores.csv |
2R3J-SCJ | data/2R/2R3J-SCJ/2R3J-SCJ_ligand.pdbqt | data/2R/2R3J-SCJ/2R3J-SCJ_target.pdbqt | data/2R/2R3J-SCJ/2R3J-SCJ_decoys.pdbqt | data/2R/2R3J-SCJ/2R3J-SCJ_decoy_scores.csv |
2RI1-BTB | data/2R/2RI1-BTB/2RI1-BTB_ligand.pdbqt | data/2R/2RI1-BTB/2RI1-BTB_target.pdbqt | data/2R/2RI1-BTB/2RI1-BTB_decoys.pdbqt | data/2R/2RI1-BTB/2RI1-BTB_decoy_scores.csv |
2R3M-SCX | data/2R/2R3M-SCX/2R3M-SCX_ligand.pdbqt | data/2R/2R3M-SCX/2R3M-SCX_target.pdbqt | data/2R/2R3M-SCX/2R3M-SCX_decoys.pdbqt | data/2R/2R3M-SCX/2R3M-SCX_decoy_scores.csv |
2R4U-PE3 | data/2R/2R4U-PE3/2R4U-PE3_ligand.pdbqt | data/2R/2R4U-PE3/2R4U-PE3_target.pdbqt | data/2R/2R4U-PE3/2R4U-PE3_decoys.pdbqt | data/2R/2R4U-PE3/2R4U-PE3_decoy_scores.csv |
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