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 ⌀ |
|---|---|---|---|---|
1WTG-BGC | data/1W/1WTG-BGC/1WTG-BGC_ligand.pdbqt | data/1W/1WTG-BGC/1WTG-BGC_target.pdbqt | data/1W/1WTG-BGC/1WTG-BGC_decoys.pdbqt | data/1W/1WTG-BGC/1WTG-BGC_decoy_scores.csv |
1WA5-GTP | data/1W/1WA5-GTP/1WA5-GTP_ligand.pdbqt | data/1W/1WA5-GTP/1WA5-GTP_target.pdbqt | data/1W/1WA5-GTP/1WA5-GTP_decoys.pdbqt | data/1W/1WA5-GTP/1WA5-GTP_decoy_scores.csv |
1W80-BEN | data/1W/1W80-BEN/1W80-BEN_ligand.pdbqt | data/1W/1W80-BEN/1W80-BEN_target.pdbqt | data/1W/1W80-BEN/1W80-BEN_decoys.pdbqt | data/1W/1W80-BEN/1W80-BEN_decoy_scores.csv |
1WDK-NAD | data/1W/1WDK-NAD/1WDK-NAD_ligand.pdbqt | data/1W/1WDK-NAD/1WDK-NAD_target.pdbqt | data/1W/1WDK-NAD/1WDK-NAD_decoys.pdbqt | data/1W/1WDK-NAD/1WDK-NAD_decoy_scores.csv |
1W3Y-PVC | data/1W/1W3Y-PVC/1W3Y-PVC_ligand.pdbqt | data/1W/1W3Y-PVC/1W3Y-PVC_target.pdbqt | data/1W/1W3Y-PVC/1W3Y-PVC_decoys.pdbqt | data/1W/1W3Y-PVC/1W3Y-PVC_decoy_scores.csv |
1WAP-TRP | data/1W/1WAP-TRP/1WAP-TRP_ligand.pdbqt | data/1W/1WAP-TRP/1WAP-TRP_target.pdbqt | data/1W/1WAP-TRP/1WAP-TRP_decoys.pdbqt | data/1W/1WAP-TRP/1WAP-TRP_decoy_scores.csv |
1WVG-APR | data/1W/1WVG-APR/1WVG-APR_ligand.pdbqt | data/1W/1WVG-APR/1WVG-APR_target.pdbqt | data/1W/1WVG-APR/1WVG-APR_decoys.pdbqt | data/1W/1WVG-APR/1WVG-APR_decoy_scores.csv |
1WUQ-8GT | data/1W/1WUQ-8GT/1WUQ-8GT_ligand.pdbqt | data/1W/1WUQ-8GT/1WUQ-8GT_target.pdbqt | data/1W/1WUQ-8GT/1WUQ-8GT_decoys.pdbqt | data/1W/1WUQ-8GT/1WUQ-8GT_decoy_scores.csv |
1W3X-W2X | data/1W/1W3X-W2X/1W3X-W2X_ligand.pdbqt | data/1W/1W3X-W2X/1W3X-W2X_target.pdbqt | data/1W/1W3X-W2X/1W3X-W2X_decoys.pdbqt | data/1W/1W3X-W2X/1W3X-W2X_decoy_scores.csv |
1WAY-L02 | data/1W/1WAY-L02/1WAY-L02_ligand.pdbqt | data/1W/1WAY-L02/1WAY-L02_target.pdbqt | data/1W/1WAY-L02/1WAY-L02_decoys.pdbqt | data/1W/1WAY-L02/1WAY-L02_decoy_scores.csv |
1WOR-RED | data/1W/1WOR-RED/1WOR-RED_ligand.pdbqt | data/1W/1WOR-RED/1WOR-RED_target.pdbqt | data/1W/1WOR-RED/1WOR-RED_decoys.pdbqt | data/1W/1WOR-RED/1WOR-RED_decoy_scores.csv |
1W6Y-EQU | data/1W/1W6Y-EQU/1W6Y-EQU_ligand.pdbqt | data/1W/1W6Y-EQU/1W6Y-EQU_target.pdbqt | data/1W/1W6Y-EQU/1W6Y-EQU_decoys.pdbqt | data/1W/1W6Y-EQU/1W6Y-EQU_decoy_scores.csv |
1WTG-FUC | data/1W/1WTG-FUC/1WTG-FUC_ligand.pdbqt | data/1W/1WTG-FUC/1WTG-FUC_target.pdbqt | data/1W/1WTG-FUC/1WTG-FUC_decoys.pdbqt | data/1W/1WTG-FUC/1WTG-FUC_decoy_scores.csv |
1WM1-PTB | data/1W/1WM1-PTB/1WM1-PTB_ligand.pdbqt | data/1W/1WM1-PTB/1WM1-PTB_target.pdbqt | data/1W/1WM1-PTB/1WM1-PTB_decoys.pdbqt | data/1W/1WM1-PTB/1WM1-PTB_decoy_scores.csv |
1W1U-NAD | data/1W/1W1U-NAD/1W1U-NAD_ligand.pdbqt | data/1W/1W1U-NAD/1W1U-NAD_target.pdbqt | data/1W/1W1U-NAD/1W1U-NAD_decoys.pdbqt | data/1W/1W1U-NAD/1W1U-NAD_decoy_scores.csv |
1WBM-BLL | data/1W/1WBM-BLL/1WBM-BLL_ligand.pdbqt | data/1W/1WBM-BLL/1WBM-BLL_target.pdbqt | data/1W/1WBM-BLL/1WBM-BLL_decoys.pdbqt | data/1W/1WBM-BLL/1WBM-BLL_decoy_scores.csv |
1W4A-APC | data/1W/1W4A-APC/1W4A-APC_ligand.pdbqt | data/1W/1W4A-APC/1W4A-APC_target.pdbqt | data/1W/1W4A-APC/1W4A-APC_decoys.pdbqt | data/1W/1W4A-APC/1W4A-APC_decoy_scores.csv |
1W06-W05 | data/1W/1W06-W05/1W06-W05_ligand.pdbqt | data/1W/1W06-W05/1W06-W05_target.pdbqt | data/1W/1W06-W05/1W06-W05_decoys.pdbqt | data/1W/1W06-W05/1W06-W05_decoy_scores.csv |
1WXG-DND | data/1W/1WXG-DND/1WXG-DND_ligand.pdbqt | data/1W/1WXG-DND/1WXG-DND_target.pdbqt | data/1W/1WXG-DND/1WXG-DND_decoys.pdbqt | data/1W/1WXG-DND/1WXG-DND_decoy_scores.csv |
1WBP-ADP | data/1W/1WBP-ADP/1WBP-ADP_ligand.pdbqt | data/1W/1WBP-ADP/1WBP-ADP_target.pdbqt | data/1W/1WBP-ADP/1WBP-ADP_decoys.pdbqt | data/1W/1WBP-ADP/1WBP-ADP_decoy_scores.csv |
1WVJ-IBC | data/1W/1WVJ-IBC/1WVJ-IBC_ligand.pdbqt | data/1W/1WVJ-IBC/1WVJ-IBC_target.pdbqt | data/1W/1WVJ-IBC/1WVJ-IBC_decoys.pdbqt | data/1W/1WVJ-IBC/1WVJ-IBC_decoy_scores.csv |
1WN6-BST | data/1W/1WN6-BST/1WN6-BST_ligand.pdbqt | data/1W/1WN6-BST/1WN6-BST_target.pdbqt | null | null |
1W6M-GAL | data/1W/1W6M-GAL/1W6M-GAL_ligand.pdbqt | data/1W/1W6M-GAL/1W6M-GAL_target.pdbqt | data/1W/1W6M-GAL/1W6M-GAL_decoys.pdbqt | data/1W/1W6M-GAL/1W6M-GAL_decoy_scores.csv |
1WMA-AB3 | data/1W/1WMA-AB3/1WMA-AB3_ligand.pdbqt | data/1W/1WMA-AB3/1WMA-AB3_target.pdbqt | data/1W/1WMA-AB3/1WMA-AB3_decoys.pdbqt | data/1W/1WMA-AB3/1WMA-AB3_decoy_scores.csv |
1WPQ-13P | data/1W/1WPQ-13P/1WPQ-13P_ligand.pdbqt | data/1W/1WPQ-13P/1WPQ-13P_target.pdbqt | data/1W/1WPQ-13P/1WPQ-13P_decoys.pdbqt | data/1W/1WPQ-13P/1WPQ-13P_decoy_scores.csv |
1W8N-GAL | data/1W/1W8N-GAL/1W8N-GAL_ligand.pdbqt | data/1W/1W8N-GAL/1W8N-GAL_target.pdbqt | data/1W/1W8N-GAL/1W8N-GAL_decoys.pdbqt | data/1W/1W8N-GAL/1W8N-GAL_decoy_scores.csv |
1WTA-ADE | data/1W/1WTA-ADE/1WTA-ADE_ligand.pdbqt | data/1W/1WTA-ADE/1WTA-ADE_target.pdbqt | data/1W/1WTA-ADE/1WTA-ADE_decoys.pdbqt | data/1W/1WTA-ADE/1WTA-ADE_decoy_scores.csv |
1WXE-AMP | data/1W/1WXE-AMP/1WXE-AMP_ligand.pdbqt | data/1W/1WXE-AMP/1WXE-AMP_target.pdbqt | data/1W/1WXE-AMP/1WXE-AMP_decoys.pdbqt | data/1W/1WXE-AMP/1WXE-AMP_decoy_scores.csv |
1WB5-SYR | data/1W/1WB5-SYR/1WB5-SYR_ligand.pdbqt | data/1W/1WB5-SYR/1WB5-SYR_target.pdbqt | data/1W/1WB5-SYR/1WB5-SYR_decoys.pdbqt | data/1W/1WB5-SYR/1WB5-SYR_decoy_scores.csv |
1WBI-BTN | data/1W/1WBI-BTN/1WBI-BTN_ligand.pdbqt | data/1W/1WBI-BTN/1WBI-BTN_target.pdbqt | data/1W/1WBI-BTN/1WBI-BTN_decoys.pdbqt | data/1W/1WBI-BTN/1WBI-BTN_decoy_scores.csv |
1WK8-VMS | data/1W/1WK8-VMS/1WK8-VMS_ligand.pdbqt | data/1W/1WK8-VMS/1WK8-VMS_target.pdbqt | data/1W/1WK8-VMS/1WK8-VMS_decoys.pdbqt | data/1W/1WK8-VMS/1WK8-VMS_decoy_scores.csv |
1W3K-OXZ | data/1W/1W3K-OXZ/1W3K-OXZ_ligand.pdbqt | data/1W/1W3K-OXZ/1W3K-OXZ_target.pdbqt | data/1W/1W3K-OXZ/1W3K-OXZ_decoys.pdbqt | data/1W/1W3K-OXZ/1W3K-OXZ_decoy_scores.csv |
1WKL-ATP | data/1W/1WKL-ATP/1WKL-ATP_ligand.pdbqt | data/1W/1WKL-ATP/1WKL-ATP_target.pdbqt | data/1W/1WKL-ATP/1WKL-ATP_decoys.pdbqt | data/1W/1WKL-ATP/1WKL-ATP_decoy_scores.csv |
1W0J-ADP | data/1W/1W0J-ADP/1W0J-ADP_ligand.pdbqt | data/1W/1W0J-ADP/1W0J-ADP_target.pdbqt | null | null |
1WCI-WWF | data/1W/1WCI-WWF/1WCI-WWF_ligand.pdbqt | data/1W/1WCI-WWF/1WCI-WWF_target.pdbqt | data/1W/1WCI-WWF/1WCI-WWF_decoys.pdbqt | data/1W/1WCI-WWF/1WCI-WWF_decoy_scores.csv |
1W9L-ADP | data/1W/1W9L-ADP/1W9L-ADP_ligand.pdbqt | data/1W/1W9L-ADP/1W9L-ADP_target.pdbqt | null | null |
1WRP-TRP | data/1W/1WRP-TRP/1WRP-TRP_ligand.pdbqt | data/1W/1WRP-TRP/1WRP-TRP_target.pdbqt | data/1W/1WRP-TRP/1WRP-TRP_decoys.pdbqt | data/1W/1WRP-TRP/1WRP-TRP_decoy_scores.csv |
1W8C-N69 | data/1W/1W8C-N69/1W8C-N69_ligand.pdbqt | data/1W/1W8C-N69/1W8C-N69_target.pdbqt | data/1W/1W8C-N69/1W8C-N69_decoys.pdbqt | data/1W/1W8C-N69/1W8C-N69_decoy_scores.csv |
1W3K-BGC | data/1W/1W3K-BGC/1W3K-BGC_ligand.pdbqt | data/1W/1W3K-BGC/1W3K-BGC_target.pdbqt | data/1W/1W3K-BGC/1W3K-BGC_decoys.pdbqt | data/1W/1W3K-BGC/1W3K-BGC_decoy_scores.csv |
1WMA-P33 | data/1W/1WMA-P33/1WMA-P33_ligand.pdbqt | data/1W/1WMA-P33/1WMA-P33_target.pdbqt | data/1W/1WMA-P33/1WMA-P33_decoys.pdbqt | data/1W/1WMA-P33/1WMA-P33_decoy_scores.csv |
1W99-P6G | data/1W/1W99-P6G/1W99-P6G_ligand.pdbqt | data/1W/1W99-P6G/1W99-P6G_target.pdbqt | data/1W/1W99-P6G/1W99-P6G_decoys.pdbqt | data/1W/1W99-P6G/1W99-P6G_decoy_scores.csv |
1WU5-XYP | data/1W/1WU5-XYP/1WU5-XYP_ligand.pdbqt | data/1W/1WU5-XYP/1WU5-XYP_target.pdbqt | data/1W/1WU5-XYP/1WU5-XYP_decoys.pdbqt | data/1W/1WU5-XYP/1WU5-XYP_decoy_scores.csv |
1WDD-CAP | data/1W/1WDD-CAP/1WDD-CAP_ligand.pdbqt | data/1W/1WDD-CAP/1WDD-CAP_target.pdbqt | data/1W/1WDD-CAP/1WDD-CAP_decoys.pdbqt | data/1W/1WDD-CAP/1WDD-CAP_decoy_scores.csv |
1WQV-PSM | data/1W/1WQV-PSM/1WQV-PSM_ligand.pdbqt | data/1W/1WQV-PSM/1WQV-PSM_target.pdbqt | data/1W/1WQV-PSM/1WQV-PSM_decoys.pdbqt | data/1W/1WQV-PSM/1WQV-PSM_decoy_scores.csv |
1W2Y-DUN | data/1W/1W2Y-DUN/1W2Y-DUN_ligand.pdbqt | data/1W/1W2Y-DUN/1W2Y-DUN_target.pdbqt | data/1W/1W2Y-DUN/1W2Y-DUN_decoys.pdbqt | data/1W/1W2Y-DUN/1W2Y-DUN_decoy_scores.csv |
1W66-DKA | data/1W/1W66-DKA/1W66-DKA_ligand.pdbqt | data/1W/1W66-DKA/1W66-DKA_target.pdbqt | data/1W/1W66-DKA/1W66-DKA_decoys.pdbqt | data/1W/1W66-DKA/1W66-DKA_decoy_scores.csv |
1WS1-BB2 | data/1W/1WS1-BB2/1WS1-BB2_ligand.pdbqt | data/1W/1WS1-BB2/1WS1-BB2_target.pdbqt | data/1W/1WS1-BB2/1WS1-BB2_decoys.pdbqt | data/1W/1WS1-BB2/1WS1-BB2_decoy_scores.csv |
1WMS-GDP | data/1W/1WMS-GDP/1WMS-GDP_ligand.pdbqt | data/1W/1WMS-GDP/1WMS-GDP_target.pdbqt | data/1W/1WMS-GDP/1WMS-GDP_decoys.pdbqt | data/1W/1WMS-GDP/1WMS-GDP_decoy_scores.csv |
1W82-L10 | data/1W/1W82-L10/1W82-L10_ligand.pdbqt | data/1W/1W82-L10/1W82-L10_target.pdbqt | data/1W/1W82-L10/1W82-L10_decoys.pdbqt | data/1W/1W82-L10/1W82-L10_decoy_scores.csv |
1W10-SJ1 | data/1W/1W10-SJ1/1W10-SJ1_ligand.pdbqt | data/1W/1W10-SJ1/1W10-SJ1_target.pdbqt | data/1W/1W10-SJ1/1W10-SJ1_decoys.pdbqt | data/1W/1W10-SJ1/1W10-SJ1_decoy_scores.csv |
1W8N-DAN | data/1W/1W8N-DAN/1W8N-DAN_ligand.pdbqt | data/1W/1W8N-DAN/1W8N-DAN_target.pdbqt | data/1W/1W8N-DAN/1W8N-DAN_decoys.pdbqt | data/1W/1W8N-DAN/1W8N-DAN_decoy_scores.csv |
1W78-ADP | data/1W/1W78-ADP/1W78-ADP_ligand.pdbqt | data/1W/1W78-ADP/1W78-ADP_target.pdbqt | data/1W/1W78-ADP/1W78-ADP_decoys.pdbqt | data/1W/1W78-ADP/1W78-ADP_decoy_scores.csv |
1W1U-URO | data/1W/1W1U-URO/1W1U-URO_ligand.pdbqt | data/1W/1W1U-URO/1W1U-URO_target.pdbqt | data/1W/1W1U-URO/1W1U-URO_decoys.pdbqt | data/1W/1W1U-URO/1W1U-URO_decoy_scores.csv |
1W77-C5P | data/1W/1W77-C5P/1W77-C5P_ligand.pdbqt | data/1W/1W77-C5P/1W77-C5P_target.pdbqt | data/1W/1W77-C5P/1W77-C5P_decoys.pdbqt | data/1W/1W77-C5P/1W77-C5P_decoy_scores.csv |
1W22-NHB | data/1W/1W22-NHB/1W22-NHB_ligand.pdbqt | data/1W/1W22-NHB/1W22-NHB_target.pdbqt | data/1W/1W22-NHB/1W22-NHB_decoys.pdbqt | data/1W/1W22-NHB/1W22-NHB_decoy_scores.csv |
1WV1-BN5 | data/1W/1WV1-BN5/1WV1-BN5_ligand.pdbqt | data/1W/1WV1-BN5/1WV1-BN5_target.pdbqt | data/1W/1WV1-BN5/1WV1-BN5_decoys.pdbqt | data/1W/1WV1-BN5/1WV1-BN5_decoy_scores.csv |
1WPG-ADP | data/1W/1WPG-ADP/1WPG-ADP_ligand.pdbqt | data/1W/1WPG-ADP/1WPG-ADP_target.pdbqt | data/1W/1WPG-ADP/1WPG-ADP_decoys.pdbqt | data/1W/1WPG-ADP/1WPG-ADP_decoy_scores.csv |
1WSB-FMN | data/1W/1WSB-FMN/1WSB-FMN_ligand.pdbqt | data/1W/1WSB-FMN/1WSB-FMN_target.pdbqt | data/1W/1WSB-FMN/1WSB-FMN_decoys.pdbqt | data/1W/1WSB-FMN/1WSB-FMN_decoy_scores.csv |
1WDA-BAG | data/1W/1WDA-BAG/1WDA-BAG_ligand.pdbqt | data/1W/1WDA-BAG/1WDA-BAG_target.pdbqt | data/1W/1WDA-BAG/1WDA-BAG_decoys.pdbqt | data/1W/1WDA-BAG/1WDA-BAG_decoy_scores.csv |
1W19-T5P | data/1W/1W19-T5P/1W19-T5P_ligand.pdbqt | data/1W/1W19-T5P/1W19-T5P_target.pdbqt | data/1W/1W19-T5P/1W19-T5P_decoys.pdbqt | data/1W/1W19-T5P/1W19-T5P_decoy_scores.csv |
1W12-SL1 | data/1W/1W12-SL1/1W12-SL1_ligand.pdbqt | data/1W/1W12-SL1/1W12-SL1_target.pdbqt | data/1W/1W12-SL1/1W12-SL1_decoys.pdbqt | data/1W/1W12-SL1/1W12-SL1_decoy_scores.csv |
1W3C-DN1 | data/1W/1W3C-DN1/1W3C-DN1_ligand.pdbqt | data/1W/1W3C-DN1/1W3C-DN1_target.pdbqt | data/1W/1W3C-DN1/1W3C-DN1_decoys.pdbqt | data/1W/1W3C-DN1/1W3C-DN1_decoy_scores.csv |
1W78-PD8 | data/1W/1W78-PD8/1W78-PD8_ligand.pdbqt | data/1W/1W78-PD8/1W78-PD8_target.pdbqt | data/1W/1W78-PD8/1W78-PD8_decoys.pdbqt | data/1W/1W78-PD8/1W78-PD8_decoy_scores.csv |
1WL6-XPE | data/1W/1WL6-XPE/1WL6-XPE_ligand.pdbqt | data/1W/1WL6-XPE/1WL6-XPE_target.pdbqt | data/1W/1WL6-XPE/1WL6-XPE_decoys.pdbqt | data/1W/1WL6-XPE/1WL6-XPE_decoy_scores.csv |
1W96-S1A | data/1W/1W96-S1A/1W96-S1A_ligand.pdbqt | data/1W/1W96-S1A/1W96-S1A_target.pdbqt | data/1W/1W96-S1A/1W96-S1A_decoys.pdbqt | data/1W/1W96-S1A/1W96-S1A_decoy_scores.csv |
1W2C-I3P | data/1W/1W2C-I3P/1W2C-I3P_ligand.pdbqt | data/1W/1W2C-I3P/1W2C-I3P_target.pdbqt | data/1W/1W2C-I3P/1W2C-I3P_decoys.pdbqt | data/1W/1W2C-I3P/1W2C-I3P_decoy_scores.csv |
1W1Y-TYP | data/1W/1W1Y-TYP/1W1Y-TYP_ligand.pdbqt | data/1W/1W1Y-TYP/1W1Y-TYP_target.pdbqt | data/1W/1W1Y-TYP/1W1Y-TYP_decoys.pdbqt | data/1W/1W1Y-TYP/1W1Y-TYP_decoy_scores.csv |
1WDT-GTP | data/1W/1WDT-GTP/1WDT-GTP_ligand.pdbqt | data/1W/1WDT-GTP/1WDT-GTP_target.pdbqt | data/1W/1WDT-GTP/1WDT-GTP_decoys.pdbqt | data/1W/1WDT-GTP/1WDT-GTP_decoy_scores.csv |
1W1T-CHQ | data/1W/1W1T-CHQ/1W1T-CHQ_ligand.pdbqt | data/1W/1W1T-CHQ/1W1T-CHQ_target.pdbqt | data/1W/1W1T-CHQ/1W1T-CHQ_decoys.pdbqt | data/1W/1W1T-CHQ/1W1T-CHQ_decoy_scores.csv |
1W19-T1P | data/1W/1W19-T1P/1W19-T1P_ligand.pdbqt | data/1W/1W19-T1P/1W19-T1P_target.pdbqt | data/1W/1W19-T1P/1W19-T1P_decoys.pdbqt | data/1W/1W19-T1P/1W19-T1P_decoy_scores.csv |
1WXJ-IPL | data/1W/1WXJ-IPL/1WXJ-IPL_ligand.pdbqt | data/1W/1WXJ-IPL/1WXJ-IPL_target.pdbqt | data/1W/1WXJ-IPL/1WXJ-IPL_decoys.pdbqt | data/1W/1WXJ-IPL/1WXJ-IPL_decoy_scores.csv |
1W6R-GNT | data/1W/1W6R-GNT/1W6R-GNT_ligand.pdbqt | data/1W/1W6R-GNT/1W6R-GNT_target.pdbqt | data/1W/1W6R-GNT/1W6R-GNT_decoys.pdbqt | data/1W/1W6R-GNT/1W6R-GNT_decoy_scores.csv |
1WNL-ADP | data/1W/1WNL-ADP/1WNL-ADP_ligand.pdbqt | data/1W/1WNL-ADP/1WNL-ADP_target.pdbqt | data/1W/1WNL-ADP/1WNL-ADP_decoys.pdbqt | data/1W/1WNL-ADP/1WNL-ADP_decoy_scores.csv |
4AMW-B9D | data/4A/4AMW-B9D/4AMW-B9D_ligand.pdbqt | data/4A/4AMW-B9D/4AMW-B9D_target.pdbqt | data/4A/4AMW-B9D/4AMW-B9D_decoys.pdbqt | data/4A/4AMW-B9D/4AMW-B9D_decoy_scores.csv |
4ANW-O92 | data/4A/4ANW-O92/4ANW-O92_ligand.pdbqt | data/4A/4ANW-O92/4ANW-O92_target.pdbqt | data/4A/4ANW-O92/4ANW-O92_decoys.pdbqt | data/4A/4ANW-O92/4ANW-O92_decoy_scores.csv |
4AZW-SAM | data/4A/4AZW-SAM/4AZW-SAM_ligand.pdbqt | data/4A/4AZW-SAM/4AZW-SAM_target.pdbqt | data/4A/4AZW-SAM/4AZW-SAM_decoys.pdbqt | data/4A/4AZW-SAM/4AZW-SAM_decoy_scores.csv |
4AD2-GLC | data/4A/4AD2-GLC/4AD2-GLC_ligand.pdbqt | data/4A/4AD2-GLC/4AD2-GLC_target.pdbqt | data/4A/4AD2-GLC/4AD2-GLC_decoys.pdbqt | data/4A/4AD2-GLC/4AD2-GLC_decoy_scores.csv |
4AJD-F04 | data/4A/4AJD-F04/4AJD-F04_ligand.pdbqt | data/4A/4AJD-F04/4AJD-F04_target.pdbqt | data/4A/4AJD-F04/4AJD-F04_decoys.pdbqt | data/4A/4AJD-F04/4AJD-F04_decoy_scores.csv |
4AH9-0MB | data/4A/4AH9-0MB/4AH9-0MB_ligand.pdbqt | data/4A/4AH9-0MB/4AH9-0MB_target.pdbqt | data/4A/4AH9-0MB/4AH9-0MB_decoys.pdbqt | data/4A/4AH9-0MB/4AH9-0MB_decoy_scores.csv |
4ANQ-VGH | data/4A/4ANQ-VGH/4ANQ-VGH_ligand.pdbqt | data/4A/4ANQ-VGH/4ANQ-VGH_target.pdbqt | data/4A/4ANQ-VGH/4ANQ-VGH_decoys.pdbqt | data/4A/4ANQ-VGH/4ANQ-VGH_decoy_scores.csv |
4AL0-PLM | data/4A/4AL0-PLM/4AL0-PLM_ligand.pdbqt | data/4A/4AL0-PLM/4AL0-PLM_target.pdbqt | data/4A/4AL0-PLM/4AL0-PLM_decoys.pdbqt | data/4A/4AL0-PLM/4AL0-PLM_decoy_scores.csv |
4A5X-P15 | data/4A/4A5X-P15/4A5X-P15_ligand.pdbqt | data/4A/4A5X-P15/4A5X-P15_target.pdbqt | data/4A/4A5X-P15/4A5X-P15_decoys.pdbqt | data/4A/4A5X-P15/4A5X-P15_decoy_scores.csv |
4A81-DXC | data/4A/4A81-DXC/4A81-DXC_ligand.pdbqt | data/4A/4A81-DXC/4A81-DXC_target.pdbqt | data/4A/4A81-DXC/4A81-DXC_decoys.pdbqt | data/4A/4A81-DXC/4A81-DXC_decoy_scores.csv |
4AN2-ACP | data/4A/4AN2-ACP/4AN2-ACP_ligand.pdbqt | data/4A/4AN2-ACP/4AN2-ACP_target.pdbqt | data/4A/4AN2-ACP/4AN2-ACP_decoys.pdbqt | data/4A/4AN2-ACP/4AN2-ACP_decoy_scores.csv |
4ABG-91B | data/4A/4ABG-91B/4ABG-91B_ligand.pdbqt | data/4A/4ABG-91B/4ABG-91B_target.pdbqt | data/4A/4ABG-91B/4ABG-91B_decoys.pdbqt | data/4A/4ABG-91B/4ABG-91B_decoy_scores.csv |
4AZ7-P15 | data/4A/4AZ7-P15/4AZ7-P15_ligand.pdbqt | data/4A/4AZ7-P15/4AZ7-P15_target.pdbqt | data/4A/4AZ7-P15/4AZ7-P15_decoys.pdbqt | data/4A/4AZ7-P15/4AZ7-P15_decoy_scores.csv |
4A6R-TA8 | data/4A/4A6R-TA8/4A6R-TA8_ligand.pdbqt | data/4A/4A6R-TA8/4A6R-TA8_target.pdbqt | data/4A/4A6R-TA8/4A6R-TA8_decoys.pdbqt | data/4A/4A6R-TA8/4A6R-TA8_decoy_scores.csv |
4APO-12P | data/4A/4APO-12P/4APO-12P_ligand.pdbqt | data/4A/4APO-12P/4APO-12P_target.pdbqt | data/4A/4APO-12P/4APO-12P_decoys.pdbqt | data/4A/4APO-12P/4APO-12P_decoy_scores.csv |
4AWF-XI7 | data/4A/4AWF-XI7/4AWF-XI7_ligand.pdbqt | data/4A/4AWF-XI7/4AWF-XI7_target.pdbqt | data/4A/4AWF-XI7/4AWF-XI7_decoys.pdbqt | data/4A/4AWF-XI7/4AWF-XI7_decoy_scores.csv |
4AV0-HNV | data/4A/4AV0-HNV/4AV0-HNV_ligand.pdbqt | data/4A/4AV0-HNV/4AV0-HNV_target.pdbqt | data/4A/4AV0-HNV/4AV0-HNV_decoys.pdbqt | data/4A/4AV0-HNV/4AV0-HNV_decoy_scores.csv |
4AK7-47N | data/4A/4AK7-47N/4AK7-47N_ligand.pdbqt | data/4A/4AK7-47N/4AK7-47N_target.pdbqt | data/4A/4AK7-47N/4AK7-47N_decoys.pdbqt | data/4A/4AK7-47N/4AK7-47N_decoy_scores.csv |
4ACX-S8Z | data/4A/4ACX-S8Z/4ACX-S8Z_ligand.pdbqt | data/4A/4ACX-S8Z/4ACX-S8Z_target.pdbqt | data/4A/4ACX-S8Z/4ACX-S8Z_decoys.pdbqt | data/4A/4ACX-S8Z/4ACX-S8Z_decoy_scores.csv |
4AWI-AQ2 | data/4A/4AWI-AQ2/4AWI-AQ2_ligand.pdbqt | data/4A/4AWI-AQ2/4AWI-AQ2_target.pdbqt | data/4A/4AWI-AQ2/4AWI-AQ2_decoys.pdbqt | data/4A/4AWI-AQ2/4AWI-AQ2_decoy_scores.csv |
4AOV-ICT | data/4A/4AOV-ICT/4AOV-ICT_ligand.pdbqt | data/4A/4AOV-ICT/4AOV-ICT_target.pdbqt | data/4A/4AOV-ICT/4AOV-ICT_decoys.pdbqt | data/4A/4AOV-ICT/4AOV-ICT_decoy_scores.csv |
4A9X-ACP | data/4A/4A9X-ACP/4A9X-ACP_ligand.pdbqt | data/4A/4A9X-ACP/4A9X-ACP_target.pdbqt | data/4A/4A9X-ACP/4A9X-ACP_decoys.pdbqt | data/4A/4A9X-ACP/4A9X-ACP_decoy_scores.csv |
4AZS-AMP | data/4A/4AZS-AMP/4AZS-AMP_ligand.pdbqt | data/4A/4AZS-AMP/4AZS-AMP_target.pdbqt | data/4A/4AZS-AMP/4AZS-AMP_decoys.pdbqt | data/4A/4AZS-AMP/4AZS-AMP_decoy_scores.csv |
4AI5-ADK | data/4A/4AI5-ADK/4AI5-ADK_ligand.pdbqt | data/4A/4AI5-ADK/4AI5-ADK_target.pdbqt | data/4A/4AI5-ADK/4AI5-ADK_decoys.pdbqt | data/4A/4AI5-ADK/4AI5-ADK_decoy_scores.csv |
4AWQ-592 | data/4A/4AWQ-592/4AWQ-592_ligand.pdbqt | data/4A/4AWQ-592/4AWQ-592_target.pdbqt | data/4A/4AWQ-592/4AWQ-592_decoys.pdbqt | data/4A/4AWQ-592/4AWQ-592_decoy_scores.csv |
4AZJ-SEP | data/4A/4AZJ-SEP/4AZJ-SEP_ligand.pdbqt | data/4A/4AZJ-SEP/4AZJ-SEP_target.pdbqt | data/4A/4AZJ-SEP/4AZJ-SEP_decoys.pdbqt | data/4A/4AZJ-SEP/4AZJ-SEP_decoy_scores.csv |
4AT4-T6E | data/4A/4AT4-T6E/4AT4-T6E_ligand.pdbqt | data/4A/4AT4-T6E/4AT4-T6E_target.pdbqt | data/4A/4AT4-T6E/4AT4-T6E_decoys.pdbqt | data/4A/4AT4-T6E/4AT4-T6E_decoy_scores.csv |
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