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 ⌀ |
|---|---|---|---|---|
5S2K-VZP | data/5S/5S2K-VZP/5S2K-VZP_ligand.pdbqt | data/5S/5S2K-VZP/5S2K-VZP_target.pdbqt | data/5S/5S2K-VZP/5S2K-VZP_decoys.pdbqt | data/5S/5S2K-VZP/5S2K-VZP_decoy_scores.csv |
5SBV-NW4 | data/5S/5SBV-NW4/5SBV-NW4_ligand.pdbqt | data/5S/5SBV-NW4/5SBV-NW4_target.pdbqt | data/5S/5SBV-NW4/5SBV-NW4_decoys.pdbqt | data/5S/5SBV-NW4/5SBV-NW4_decoy_scores.csv |
5S36-7ZC | data/5S/5S36-7ZC/5S36-7ZC_ligand.pdbqt | data/5S/5S36-7ZC/5S36-7ZC_target.pdbqt | data/5S/5S36-7ZC/5S36-7ZC_decoys.pdbqt | data/5S/5S36-7ZC/5S36-7ZC_decoy_scores.csv |
5SET-IH8 | data/5S/5SET-IH8/5SET-IH8_ligand.pdbqt | data/5S/5SET-IH8/5SET-IH8_target.pdbqt | data/5S/5SET-IH8/5SET-IH8_decoys.pdbqt | data/5S/5SET-IH8/5SET-IH8_decoy_scores.csv |
5S4R-GTP | data/5S/5S4R-GTP/5S4R-GTP_ligand.pdbqt | data/5S/5S4R-GTP/5S4R-GTP_target.pdbqt | data/5S/5S4R-GTP/5S4R-GTP_decoys.pdbqt | data/5S/5S4R-GTP/5S4R-GTP_decoy_scores.csv |
5SKG-KFI | data/5S/5SKG-KFI/5SKG-KFI_ligand.pdbqt | data/5S/5SKG-KFI/5SKG-KFI_target.pdbqt | data/5S/5SKG-KFI/5SKG-KFI_decoys.pdbqt | data/5S/5SKG-KFI/5SKG-KFI_decoy_scores.csv |
5SM0-LQI | data/5S/5SM0-LQI/5SM0-LQI_ligand.pdbqt | data/5S/5SM0-LQI/5SM0-LQI_target.pdbqt | data/5S/5SM0-LQI/5SM0-LQI_decoys.pdbqt | data/5S/5SM0-LQI/5SM0-LQI_decoy_scores.csv |
5S5H-ACP | data/5S/5S5H-ACP/5S5H-ACP_ligand.pdbqt | data/5S/5S5H-ACP/5S5H-ACP_target.pdbqt | data/5S/5S5H-ACP/5S5H-ACP_decoys.pdbqt | data/5S/5S5H-ACP/5S5H-ACP_decoy_scores.csv |
5STI-W8F | data/5S/5STI-W8F/5STI-W8F_ligand.pdbqt | data/5S/5STI-W8F/5STI-W8F_target.pdbqt | data/5S/5STI-W8F/5STI-W8F_decoys.pdbqt | data/5S/5STI-W8F/5STI-W8F_decoy_scores.csv |
5S5H-WLG | data/5S/5S5H-WLG/5S5H-WLG_ligand.pdbqt | data/5S/5S5H-WLG/5S5H-WLG_target.pdbqt | data/5S/5S5H-WLG/5S5H-WLG_decoys.pdbqt | data/5S/5S5H-WLG/5S5H-WLG_decoy_scores.csv |
5SYJ-NIZ | data/5S/5SYJ-NIZ/5SYJ-NIZ_ligand.pdbqt | data/5S/5SYJ-NIZ/5SYJ-NIZ_target.pdbqt | data/5S/5SYJ-NIZ/5SYJ-NIZ_decoys.pdbqt | data/5S/5SYJ-NIZ/5SYJ-NIZ_decoy_scores.csv |
5SC9-FBP | data/5S/5SC9-FBP/5SC9-FBP_ligand.pdbqt | data/5S/5SC9-FBP/5SC9-FBP_target.pdbqt | data/5S/5SC9-FBP/5SC9-FBP_decoys.pdbqt | data/5S/5SC9-FBP/5SC9-FBP_decoy_scores.csv |
5SBR-8B2 | data/5S/5SBR-8B2/5SBR-8B2_ligand.pdbqt | data/5S/5SBR-8B2/5SBR-8B2_target.pdbqt | data/5S/5SBR-8B2/5SBR-8B2_decoys.pdbqt | data/5S/5SBR-8B2/5SBR-8B2_decoy_scores.csv |
5SKX-T6J | data/5S/5SKX-T6J/5SKX-T6J_ligand.pdbqt | data/5S/5SKX-T6J/5SKX-T6J_target.pdbqt | data/5S/5SKX-T6J/5SKX-T6J_decoys.pdbqt | data/5S/5SKX-T6J/5SKX-T6J_decoy_scores.csv |
5S3F-W1J | data/5S/5S3F-W1J/5S3F-W1J_ligand.pdbqt | data/5S/5S3F-W1J/5S3F-W1J_target.pdbqt | data/5S/5S3F-W1J/5S3F-W1J_decoys.pdbqt | data/5S/5S3F-W1J/5S3F-W1J_decoy_scores.csv |
5SEW-II5 | data/5S/5SEW-II5/5SEW-II5_ligand.pdbqt | data/5S/5SEW-II5/5SEW-II5_target.pdbqt | data/5S/5SEW-II5/5SEW-II5_decoys.pdbqt | data/5S/5SEW-II5/5SEW-II5_decoy_scores.csv |
5S5O-GDP | data/5S/5S5O-GDP/5S5O-GDP_ligand.pdbqt | data/5S/5S5O-GDP/5S5O-GDP_target.pdbqt | data/5S/5S5O-GDP/5S5O-GDP_decoys.pdbqt | data/5S/5S5O-GDP/5S5O-GDP_decoy_scores.csv |
5SYO-C5E | data/5S/5SYO-C5E/5SYO-C5E_ligand.pdbqt | data/5S/5SYO-C5E/5SYO-C5E_target.pdbqt | data/5S/5SYO-C5E/5SYO-C5E_decoys.pdbqt | data/5S/5SYO-C5E/5SYO-C5E_decoy_scores.csv |
5SB9-GTP | data/5S/5SB9-GTP/5SB9-GTP_ligand.pdbqt | data/5S/5SB9-GTP/5SB9-GTP_target.pdbqt | data/5S/5SB9-GTP/5SB9-GTP_decoys.pdbqt | data/5S/5SB9-GTP/5SB9-GTP_decoy_scores.csv |
5ST9-V8E | data/5S/5ST9-V8E/5ST9-V8E_ligand.pdbqt | data/5S/5ST9-V8E/5ST9-V8E_target.pdbqt | data/5S/5ST9-V8E/5ST9-V8E_decoys.pdbqt | data/5S/5ST9-V8E/5ST9-V8E_decoy_scores.csv |
5STO-W9U | data/5S/5STO-W9U/5STO-W9U_ligand.pdbqt | data/5S/5STO-W9U/5STO-W9U_target.pdbqt | data/5S/5STO-W9U/5STO-W9U_decoys.pdbqt | data/5S/5STO-W9U/5STO-W9U_decoy_scores.csv |
5SDA-GI6 | data/5S/5SDA-GI6/5SDA-GI6_ligand.pdbqt | data/5S/5SDA-GI6/5SDA-GI6_target.pdbqt | data/5S/5SDA-GI6/5SDA-GI6_decoys.pdbqt | data/5S/5SDA-GI6/5SDA-GI6_decoy_scores.csv |
5SJA-JYU | data/5S/5SJA-JYU/5SJA-JYU_ligand.pdbqt | data/5S/5SJA-JYU/5SJA-JYU_target.pdbqt | data/5S/5SJA-JYU/5SJA-JYU_decoys.pdbqt | data/5S/5SJA-JYU/5SJA-JYU_decoy_scores.csv |
5SE0-IBJ | data/5S/5SE0-IBJ/5SE0-IBJ_ligand.pdbqt | data/5S/5SE0-IBJ/5SE0-IBJ_target.pdbqt | data/5S/5SE0-IBJ/5SE0-IBJ_decoys.pdbqt | data/5S/5SE0-IBJ/5SE0-IBJ_decoy_scores.csv |
5SEI-IFE | data/5S/5SEI-IFE/5SEI-IFE_ligand.pdbqt | data/5S/5SEI-IFE/5SEI-IFE_target.pdbqt | data/5S/5SEI-IFE/5SEI-IFE_decoys.pdbqt | data/5S/5SEI-IFE/5SEI-IFE_decoy_scores.csv |
5SJX-PF9 | data/5S/5SJX-PF9/5SJX-PF9_ligand.pdbqt | data/5S/5SJX-PF9/5SJX-PF9_target.pdbqt | data/5S/5SJX-PF9/5SJX-PF9_decoys.pdbqt | data/5S/5SJX-PF9/5SJX-PF9_decoy_scores.csv |
5SHF-JFG | data/5S/5SHF-JFG/5SHF-JFG_ligand.pdbqt | data/5S/5SHF-JFG/5SHF-JFG_target.pdbqt | data/5S/5SHF-JFG/5SHF-JFG_decoys.pdbqt | data/5S/5SHF-JFG/5SHF-JFG_decoy_scores.csv |
5SKO-KI4 | data/5S/5SKO-KI4/5SKO-KI4_ligand.pdbqt | data/5S/5SKO-KI4/5SKO-KI4_target.pdbqt | data/5S/5SKO-KI4/5SKO-KI4_decoys.pdbqt | data/5S/5SKO-KI4/5SKO-KI4_decoy_scores.csv |
5SES-IGZ | data/5S/5SES-IGZ/5SES-IGZ_ligand.pdbqt | data/5S/5SES-IGZ/5SES-IGZ_target.pdbqt | data/5S/5SES-IGZ/5SES-IGZ_decoys.pdbqt | data/5S/5SES-IGZ/5SES-IGZ_decoy_scores.csv |
5SAP-ZSG | data/5S/5SAP-ZSG/5SAP-ZSG_ligand.pdbqt | data/5S/5SAP-ZSG/5SAP-ZSG_target.pdbqt | data/5S/5SAP-ZSG/5SAP-ZSG_decoys.pdbqt | data/5S/5SAP-ZSG/5SAP-ZSG_decoy_scores.csv |
5S2D-U0P | data/5S/5S2D-U0P/5S2D-U0P_ligand.pdbqt | data/5S/5S2D-U0P/5S2D-U0P_target.pdbqt | data/5S/5S2D-U0P/5S2D-U0P_decoys.pdbqt | data/5S/5S2D-U0P/5S2D-U0P_decoy_scores.csv |
5S92-Y2G | data/5S/5S92-Y2G/5S92-Y2G_ligand.pdbqt | data/5S/5S92-Y2G/5S92-Y2G_target.pdbqt | data/5S/5S92-Y2G/5S92-Y2G_decoys.pdbqt | data/5S/5S92-Y2G/5S92-Y2G_decoy_scores.csv |
5SCG-I99 | data/5S/5SCG-I99/5SCG-I99_ligand.pdbqt | data/5S/5SCG-I99/5SCG-I99_target.pdbqt | data/5S/5SCG-I99/5SCG-I99_decoys.pdbqt | data/5S/5SCG-I99/5SCG-I99_decoy_scores.csv |
5S5B-K2G | data/5S/5S5B-K2G/5S5B-K2G_ligand.pdbqt | data/5S/5S5B-K2G/5S5B-K2G_target.pdbqt | data/5S/5S5B-K2G/5S5B-K2G_decoys.pdbqt | data/5S/5S5B-K2G/5S5B-K2G_decoy_scores.csv |
5S5X-ACP | data/5S/5S5X-ACP/5S5X-ACP_ligand.pdbqt | data/5S/5S5X-ACP/5S5X-ACP_target.pdbqt | data/5S/5S5X-ACP/5S5X-ACP_decoys.pdbqt | data/5S/5S5X-ACP/5S5X-ACP_decoy_scores.csv |
5SIR-JSF | data/5S/5SIR-JSF/5SIR-JSF_ligand.pdbqt | data/5S/5SIR-JSF/5SIR-JSF_target.pdbqt | data/5S/5SIR-JSF/5SIR-JSF_decoys.pdbqt | data/5S/5SIR-JSF/5SIR-JSF_decoy_scores.csv |
5S84-LU8 | data/5S/5S84-LU8/5S84-LU8_ligand.pdbqt | data/5S/5S84-LU8/5S84-LU8_target.pdbqt | data/5S/5S84-LU8/5S84-LU8_decoys.pdbqt | data/5S/5S84-LU8/5S84-LU8_decoy_scores.csv |
5S5S-GTP | data/5S/5S5S-GTP/5S5S-GTP_ligand.pdbqt | data/5S/5S5S-GTP/5S5S-GTP_target.pdbqt | data/5S/5S5S-GTP/5S5S-GTP_decoys.pdbqt | data/5S/5S5S-GTP/5S5S-GTP_decoy_scores.csv |
5S7C-LU8 | data/5S/5S7C-LU8/5S7C-LU8_ligand.pdbqt | data/5S/5S7C-LU8/5S7C-LU8_target.pdbqt | data/5S/5S7C-LU8/5S7C-LU8_decoys.pdbqt | data/5S/5S7C-LU8/5S7C-LU8_decoy_scores.csv |
5SBN-9KS | data/5S/5SBN-9KS/5SBN-9KS_ligand.pdbqt | data/5S/5SBN-9KS/5SBN-9KS_target.pdbqt | data/5S/5SBN-9KS/5SBN-9KS_decoys.pdbqt | data/5S/5SBN-9KS/5SBN-9KS_decoy_scores.csv |
5SME-I8D | data/5S/5SME-I8D/5SME-I8D_ligand.pdbqt | data/5S/5SME-I8D/5SME-I8D_target.pdbqt | data/5S/5SME-I8D/5SME-I8D_decoys.pdbqt | data/5S/5SME-I8D/5SME-I8D_decoy_scores.csv |
5S3Z-W34 | data/5S/5S3Z-W34/5S3Z-W34_ligand.pdbqt | data/5S/5S3Z-W34/5S3Z-W34_target.pdbqt | data/5S/5S3Z-W34/5S3Z-W34_decoys.pdbqt | data/5S/5S3Z-W34/5S3Z-W34_decoy_scores.csv |
5SFU-IQ3 | data/5S/5SFU-IQ3/5SFU-IQ3_ligand.pdbqt | data/5S/5SFU-IQ3/5SFU-IQ3_target.pdbqt | data/5S/5SFU-IQ3/5SFU-IQ3_decoys.pdbqt | data/5S/5SFU-IQ3/5SFU-IQ3_decoy_scores.csv |
5S65-GTP | data/5S/5S65-GTP/5S65-GTP_ligand.pdbqt | data/5S/5S65-GTP/5S65-GTP_target.pdbqt | data/5S/5S65-GTP/5S65-GTP_decoys.pdbqt | data/5S/5S65-GTP/5S65-GTP_decoy_scores.csv |
5SEO-IGE | data/5S/5SEO-IGE/5SEO-IGE_ligand.pdbqt | data/5S/5SEO-IGE/5SEO-IGE_target.pdbqt | data/5S/5SEO-IGE/5SEO-IGE_decoys.pdbqt | data/5S/5SEO-IGE/5SEO-IGE_decoy_scores.csv |
5S8G-XLP | data/5S/5S8G-XLP/5S8G-XLP_ligand.pdbqt | data/5S/5S8G-XLP/5S8G-XLP_target.pdbqt | data/5S/5S8G-XLP/5S8G-XLP_decoys.pdbqt | data/5S/5S8G-XLP/5S8G-XLP_decoy_scores.csv |
5S5O-GTP | data/5S/5S5O-GTP/5S5O-GTP_ligand.pdbqt | data/5S/5S5O-GTP/5S5O-GTP_target.pdbqt | data/5S/5S5O-GTP/5S5O-GTP_decoys.pdbqt | data/5S/5S5O-GTP/5S5O-GTP_decoy_scores.csv |
5S55-WZP | data/5S/5S55-WZP/5S55-WZP_ligand.pdbqt | data/5S/5S55-WZP/5S55-WZP_target.pdbqt | data/5S/5S55-WZP/5S55-WZP_decoys.pdbqt | data/5S/5S55-WZP/5S55-WZP_decoy_scores.csv |
5SEM-IG6 | data/5S/5SEM-IG6/5SEM-IG6_ligand.pdbqt | data/5S/5SEM-IG6/5SEM-IG6_target.pdbqt | data/5S/5SEM-IG6/5SEM-IG6_decoys.pdbqt | data/5S/5SEM-IG6/5SEM-IG6_decoy_scores.csv |
5STP-WA0 | data/5S/5STP-WA0/5STP-WA0_ligand.pdbqt | data/5S/5STP-WA0/5STP-WA0_target.pdbqt | data/5S/5STP-WA0/5STP-WA0_decoys.pdbqt | data/5S/5STP-WA0/5STP-WA0_decoy_scores.csv |
5SJ6-JXX | data/5S/5SJ6-JXX/5SJ6-JXX_ligand.pdbqt | data/5S/5SJ6-JXX/5SJ6-JXX_target.pdbqt | data/5S/5SJ6-JXX/5SJ6-JXX_decoys.pdbqt | data/5S/5SJ6-JXX/5SJ6-JXX_decoy_scores.csv |
5S66-ACP | data/5S/5S66-ACP/5S66-ACP_ligand.pdbqt | data/5S/5S66-ACP/5S66-ACP_target.pdbqt | data/5S/5S66-ACP/5S66-ACP_decoys.pdbqt | data/5S/5S66-ACP/5S66-ACP_decoy_scores.csv |
5SH3-J2L | data/5S/5SH3-J2L/5SH3-J2L_ligand.pdbqt | data/5S/5SH3-J2L/5SH3-J2L_target.pdbqt | data/5S/5SH3-J2L/5SH3-J2L_decoys.pdbqt | data/5S/5SH3-J2L/5SH3-J2L_decoy_scores.csv |
5SB3-GTP | data/5S/5SB3-GTP/5SB3-GTP_ligand.pdbqt | data/5S/5SB3-GTP/5SB3-GTP_target.pdbqt | data/5S/5SB3-GTP/5SB3-GTP_decoys.pdbqt | data/5S/5SB3-GTP/5SB3-GTP_decoy_scores.csv |
5S42-HH8 | data/5S/5S42-HH8/5S42-HH8_ligand.pdbqt | data/5S/5S42-HH8/5S42-HH8_target.pdbqt | data/5S/5S42-HH8/5S42-HH8_decoys.pdbqt | data/5S/5S42-HH8/5S42-HH8_decoy_scores.csv |
5SY2-74V | data/5S/5SY2-74V/5SY2-74V_ligand.pdbqt | data/5S/5SY2-74V/5SY2-74V_target.pdbqt | data/5S/5SY2-74V/5SY2-74V_decoys.pdbqt | data/5S/5SY2-74V/5SY2-74V_decoy_scores.csv |
5SEQ-IGO | data/5S/5SEQ-IGO/5SEQ-IGO_ligand.pdbqt | data/5S/5SEQ-IGO/5SEQ-IGO_target.pdbqt | data/5S/5SEQ-IGO/5SEQ-IGO_decoys.pdbqt | data/5S/5SEQ-IGO/5SEQ-IGO_decoy_scores.csv |
5SB3-GDP | data/5S/5SB3-GDP/5SB3-GDP_ligand.pdbqt | data/5S/5SB3-GDP/5SB3-GDP_target.pdbqt | data/5S/5SB3-GDP/5SB3-GDP_decoys.pdbqt | data/5S/5SB3-GDP/5SB3-GDP_decoy_scores.csv |
5SLA-LJR | data/5S/5SLA-LJR/5SLA-LJR_ligand.pdbqt | data/5S/5SLA-LJR/5SLA-LJR_target.pdbqt | data/5S/5SLA-LJR/5SLA-LJR_decoys.pdbqt | data/5S/5SLA-LJR/5SLA-LJR_decoy_scores.csv |
5SF7-IJN | data/5S/5SF7-IJN/5SF7-IJN_ligand.pdbqt | data/5S/5SF7-IJN/5SF7-IJN_target.pdbqt | data/5S/5SF7-IJN/5SF7-IJN_decoys.pdbqt | data/5S/5SF7-IJN/5SF7-IJN_decoy_scores.csv |
5S8N-3PF | data/5S/5S8N-3PF/5S8N-3PF_ligand.pdbqt | data/5S/5S8N-3PF/5S8N-3PF_target.pdbqt | data/5S/5S8N-3PF/5S8N-3PF_decoys.pdbqt | data/5S/5S8N-3PF/5S8N-3PF_decoy_scores.csv |
5S20-WRD | data/5S/5S20-WRD/5S20-WRD_ligand.pdbqt | data/5S/5S20-WRD/5S20-WRD_target.pdbqt | data/5S/5S20-WRD/5S20-WRD_decoys.pdbqt | data/5S/5S20-WRD/5S20-WRD_decoy_scores.csv |
5SM1-WH1 | data/5S/5SM1-WH1/5SM1-WH1_ligand.pdbqt | data/5S/5SM1-WH1/5SM1-WH1_target.pdbqt | data/5S/5SM1-WH1/5SM1-WH1_decoys.pdbqt | data/5S/5SM1-WH1/5SM1-WH1_decoy_scores.csv |
5SEH-IFI | data/5S/5SEH-IFI/5SEH-IFI_ligand.pdbqt | data/5S/5SEH-IFI/5SEH-IFI_target.pdbqt | data/5S/5SEH-IFI/5SEH-IFI_decoys.pdbqt | data/5S/5SEH-IFI/5SEH-IFI_decoy_scores.csv |
5SM8-WKA | data/5S/5SM8-WKA/5SM8-WKA_ligand.pdbqt | data/5S/5SM8-WKA/5SM8-WKA_target.pdbqt | data/5S/5SM8-WKA/5SM8-WKA_decoys.pdbqt | data/5S/5SM8-WKA/5SM8-WKA_decoy_scores.csv |
5SC9-I7K | data/5S/5SC9-I7K/5SC9-I7K_ligand.pdbqt | data/5S/5SC9-I7K/5SC9-I7K_target.pdbqt | data/5S/5SC9-I7K/5SC9-I7K_decoys.pdbqt | data/5S/5SC9-I7K/5SC9-I7K_decoy_scores.csv |
5SYI-NIZ | data/5S/5SYI-NIZ/5SYI-NIZ_ligand.pdbqt | data/5S/5SYI-NIZ/5SYI-NIZ_target.pdbqt | data/5S/5SYI-NIZ/5SYI-NIZ_decoys.pdbqt | data/5S/5SYI-NIZ/5SYI-NIZ_decoy_scores.csv |
5S8R-Y0A | data/5S/5S8R-Y0A/5S8R-Y0A_ligand.pdbqt | data/5S/5S8R-Y0A/5S8R-Y0A_target.pdbqt | data/5S/5S8R-Y0A/5S8R-Y0A_decoys.pdbqt | data/5S/5S8R-Y0A/5S8R-Y0A_decoy_scores.csv |
5SFO-ILZ | data/5S/5SFO-ILZ/5SFO-ILZ_ligand.pdbqt | data/5S/5SFO-ILZ/5SFO-ILZ_target.pdbqt | data/5S/5SFO-ILZ/5SFO-ILZ_decoys.pdbqt | data/5S/5SFO-ILZ/5SFO-ILZ_decoy_scores.csv |
5SJ3-JX0 | data/5S/5SJ3-JX0/5SJ3-JX0_ligand.pdbqt | data/5S/5SJ3-JX0/5SJ3-JX0_target.pdbqt | data/5S/5SJ3-JX0/5SJ3-JX0_decoys.pdbqt | data/5S/5SJ3-JX0/5SJ3-JX0_decoy_scores.csv |
5S5U-ACP | data/5S/5S5U-ACP/5S5U-ACP_ligand.pdbqt | data/5S/5S5U-ACP/5S5U-ACP_target.pdbqt | data/5S/5S5U-ACP/5S5U-ACP_decoys.pdbqt | data/5S/5S5U-ACP/5S5U-ACP_decoy_scores.csv |
5S2C-WSJ | data/5S/5S2C-WSJ/5S2C-WSJ_ligand.pdbqt | data/5S/5S2C-WSJ/5S2C-WSJ_target.pdbqt | data/5S/5S2C-WSJ/5S2C-WSJ_decoys.pdbqt | data/5S/5S2C-WSJ/5S2C-WSJ_decoy_scores.csv |
5SB9-ACP | data/5S/5SB9-ACP/5SB9-ACP_ligand.pdbqt | data/5S/5SB9-ACP/5SB9-ACP_target.pdbqt | data/5S/5SB9-ACP/5SB9-ACP_decoys.pdbqt | data/5S/5SB9-ACP/5SB9-ACP_decoy_scores.csv |
5SHQ-JIJ | data/5S/5SHQ-JIJ/5SHQ-JIJ_ligand.pdbqt | data/5S/5SHQ-JIJ/5SHQ-JIJ_target.pdbqt | data/5S/5SHQ-JIJ/5SHQ-JIJ_decoys.pdbqt | data/5S/5SHQ-JIJ/5SHQ-JIJ_decoy_scores.csv |
5SLL-LK6 | data/5S/5SLL-LK6/5SLL-LK6_ligand.pdbqt | data/5S/5SLL-LK6/5SLL-LK6_target.pdbqt | data/5S/5SLL-LK6/5SLL-LK6_decoys.pdbqt | data/5S/5SLL-LK6/5SLL-LK6_decoy_scores.csv |
5S5J-ACP | data/5S/5S5J-ACP/5S5J-ACP_ligand.pdbqt | data/5S/5S5J-ACP/5S5J-ACP_target.pdbqt | data/5S/5S5J-ACP/5S5J-ACP_decoys.pdbqt | data/5S/5S5J-ACP/5S5J-ACP_decoy_scores.csv |
5SIV-JTL | data/5S/5SIV-JTL/5SIV-JTL_ligand.pdbqt | data/5S/5SIV-JTL/5SIV-JTL_target.pdbqt | data/5S/5SIV-JTL/5SIV-JTL_decoys.pdbqt | data/5S/5SIV-JTL/5SIV-JTL_decoy_scores.csv |
5SBM-8AB | data/5S/5SBM-8AB/5SBM-8AB_ligand.pdbqt | data/5S/5SBM-8AB/5SBM-8AB_target.pdbqt | data/5S/5SBM-8AB/5SBM-8AB_decoys.pdbqt | data/5S/5SBM-8AB/5SBM-8AB_decoy_scores.csv |
5SCB-I7V | data/5S/5SCB-I7V/5SCB-I7V_ligand.pdbqt | data/5S/5SCB-I7V/5SCB-I7V_target.pdbqt | data/5S/5SCB-I7V/5SCB-I7V_decoys.pdbqt | data/5S/5SCB-I7V/5SCB-I7V_decoy_scores.csv |
5S7F-LU8 | data/5S/5S7F-LU8/5S7F-LU8_ligand.pdbqt | data/5S/5S7F-LU8/5S7F-LU8_target.pdbqt | data/5S/5S7F-LU8/5S7F-LU8_decoys.pdbqt | data/5S/5S7F-LU8/5S7F-LU8_decoy_scores.csv |
5S4O-ACP | data/5S/5S4O-ACP/5S4O-ACP_ligand.pdbqt | data/5S/5S4O-ACP/5S4O-ACP_target.pdbqt | data/5S/5S4O-ACP/5S4O-ACP_decoys.pdbqt | data/5S/5S4O-ACP/5S4O-ACP_decoy_scores.csv |
5SEB-IF2 | data/5S/5SEB-IF2/5SEB-IF2_ligand.pdbqt | data/5S/5SEB-IF2/5SEB-IF2_target.pdbqt | data/5S/5SEB-IF2/5SEB-IF2_decoys.pdbqt | data/5S/5SEB-IF2/5SEB-IF2_decoy_scores.csv |
5S58-GDP | data/5S/5S58-GDP/5S58-GDP_ligand.pdbqt | data/5S/5S58-GDP/5S58-GDP_target.pdbqt | data/5S/5S58-GDP/5S58-GDP_decoys.pdbqt | data/5S/5S58-GDP/5S58-GDP_decoy_scores.csv |
5SLE-JGA | data/5S/5SLE-JGA/5SLE-JGA_ligand.pdbqt | data/5S/5SLE-JGA/5SLE-JGA_target.pdbqt | data/5S/5SLE-JGA/5SLE-JGA_decoys.pdbqt | data/5S/5SLE-JGA/5SLE-JGA_decoy_scores.csv |
5SAC-VWG | data/5S/5SAC-VWG/5SAC-VWG_ligand.pdbqt | data/5S/5SAC-VWG/5SAC-VWG_target.pdbqt | data/5S/5SAC-VWG/5SAC-VWG_decoys.pdbqt | data/5S/5SAC-VWG/5SAC-VWG_decoy_scores.csv |
5SCD-FBP | data/5S/5SCD-FBP/5SCD-FBP_ligand.pdbqt | data/5S/5SCD-FBP/5SCD-FBP_target.pdbqt | data/5S/5SCD-FBP/5SCD-FBP_decoys.pdbqt | data/5S/5SCD-FBP/5SCD-FBP_decoy_scores.csv |
5S35-B1A | data/5S/5S35-B1A/5S35-B1A_ligand.pdbqt | data/5S/5S35-B1A/5S35-B1A_target.pdbqt | data/5S/5S35-B1A/5S35-B1A_decoys.pdbqt | data/5S/5S35-B1A/5S35-B1A_decoy_scores.csv |
5SD6-HXV | data/5S/5SD6-HXV/5SD6-HXV_ligand.pdbqt | data/5S/5SD6-HXV/5SD6-HXV_target.pdbqt | data/5S/5SD6-HXV/5SD6-HXV_decoys.pdbqt | data/5S/5SD6-HXV/5SD6-HXV_decoy_scores.csv |
5S5W-ACP | data/5S/5S5W-ACP/5S5W-ACP_ligand.pdbqt | data/5S/5S5W-ACP/5S5W-ACP_target.pdbqt | data/5S/5S5W-ACP/5S5W-ACP_decoys.pdbqt | data/5S/5S5W-ACP/5S5W-ACP_decoy_scores.csv |
5S8U-Y0Y | data/5S/5S8U-Y0Y/5S8U-Y0Y_ligand.pdbqt | data/5S/5S8U-Y0Y/5S8U-Y0Y_target.pdbqt | data/5S/5S8U-Y0Y/5S8U-Y0Y_decoys.pdbqt | data/5S/5S8U-Y0Y/5S8U-Y0Y_decoy_scores.csv |
5S6Z-WUM | data/5S/5S6Z-WUM/5S6Z-WUM_ligand.pdbqt | data/5S/5S6Z-WUM/5S6Z-WUM_target.pdbqt | data/5S/5S6Z-WUM/5S6Z-WUM_decoys.pdbqt | data/5S/5S6Z-WUM/5S6Z-WUM_decoy_scores.csv |
5SB5-GTP | data/5S/5SB5-GTP/5SB5-GTP_ligand.pdbqt | data/5S/5SB5-GTP/5SB5-GTP_target.pdbqt | data/5S/5SB5-GTP/5SB5-GTP_decoys.pdbqt | data/5S/5SB5-GTP/5SB5-GTP_decoy_scores.csv |
5S4T-GDP | data/5S/5S4T-GDP/5S4T-GDP_ligand.pdbqt | data/5S/5S4T-GDP/5S4T-GDP_target.pdbqt | data/5S/5S4T-GDP/5S4T-GDP_decoys.pdbqt | data/5S/5S4T-GDP/5S4T-GDP_decoy_scores.csv |
5SKA-KDC | data/5S/5SKA-KDC/5SKA-KDC_ligand.pdbqt | data/5S/5SKA-KDC/5SKA-KDC_target.pdbqt | data/5S/5SKA-KDC/5SKA-KDC_decoys.pdbqt | data/5S/5SKA-KDC/5SKA-KDC_decoy_scores.csv |
5SVF-FLC | data/5S/5SVF-FLC/5SVF-FLC_ligand.pdbqt | data/5S/5SVF-FLC/5SVF-FLC_target.pdbqt | data/5S/5SVF-FLC/5SVF-FLC_decoys.pdbqt | data/5S/5SVF-FLC/5SVF-FLC_decoy_scores.csv |
5SFM-ILN | data/5S/5SFM-ILN/5SFM-ILN_ligand.pdbqt | data/5S/5SFM-ILN/5SFM-ILN_target.pdbqt | data/5S/5SFM-ILN/5SFM-ILN_decoys.pdbqt | data/5S/5SFM-ILN/5SFM-ILN_decoy_scores.csv |
5S7I-LU8 | data/5S/5S7I-LU8/5S7I-LU8_ligand.pdbqt | data/5S/5S7I-LU8/5S7I-LU8_target.pdbqt | data/5S/5S7I-LU8/5S7I-LU8_decoys.pdbqt | data/5S/5S7I-LU8/5S7I-LU8_decoy_scores.csv |
5S4U-GX4 | data/5S/5S4U-GX4/5S4U-GX4_ligand.pdbqt | data/5S/5S4U-GX4/5S4U-GX4_target.pdbqt | data/5S/5S4U-GX4/5S4U-GX4_decoys.pdbqt | data/5S/5S4U-GX4/5S4U-GX4_decoy_scores.csv |
5SM3-GT4 | data/5S/5SM3-GT4/5SM3-GT4_ligand.pdbqt | data/5S/5SM3-GT4/5SM3-GT4_target.pdbqt | data/5S/5SM3-GT4/5SM3-GT4_decoys.pdbqt | data/5S/5SM3-GT4/5SM3-GT4_decoy_scores.csv |
5S4T-GTP | data/5S/5S4T-GTP/5S4T-GTP_ligand.pdbqt | data/5S/5S4T-GTP/5S4T-GTP_target.pdbqt | data/5S/5S4T-GTP/5S4T-GTP_decoys.pdbqt | data/5S/5S4T-GTP/5S4T-GTP_decoy_scores.csv |
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