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 ⌀ |
|---|---|---|---|---|
4WYC-3VS | data/4W/4WYC-3VS/4WYC-3VS_ligand.pdbqt | data/4W/4WYC-3VS/4WYC-3VS_target.pdbqt | data/4W/4WYC-3VS/4WYC-3VS_decoys.pdbqt | data/4W/4WYC-3VS/4WYC-3VS_decoy_scores.csv |
4WW7-AMP | data/4W/4WW7-AMP/4WW7-AMP_ligand.pdbqt | data/4W/4WW7-AMP/4WW7-AMP_target.pdbqt | data/4W/4WW7-AMP/4WW7-AMP_decoys.pdbqt | data/4W/4WW7-AMP/4WW7-AMP_decoy_scores.csv |
4W9I-3JS | data/4W/4W9I-3JS/4W9I-3JS_ligand.pdbqt | data/4W/4W9I-3JS/4W9I-3JS_target.pdbqt | null | null |
4WF2-BTX | data/4W/4WF2-BTX/4WF2-BTX_ligand.pdbqt | data/4W/4WF2-BTX/4WF2-BTX_target.pdbqt | data/4W/4WF2-BTX/4WF2-BTX_decoys.pdbqt | data/4W/4WF2-BTX/4WF2-BTX_decoy_scores.csv |
4WOK-NAD | data/4W/4WOK-NAD/4WOK-NAD_ligand.pdbqt | data/4W/4WOK-NAD/4WOK-NAD_target.pdbqt | data/4W/4WOK-NAD/4WOK-NAD_decoys.pdbqt | data/4W/4WOK-NAD/4WOK-NAD_decoy_scores.csv |
4W7T-3JC | data/4W/4W7T-3JC/4W7T-3JC_ligand.pdbqt | data/4W/4W7T-3JC/4W7T-3JC_target.pdbqt | data/4W/4W7T-3JC/4W7T-3JC_decoys.pdbqt | data/4W/4W7T-3JC/4W7T-3JC_decoy_scores.csv |
4WJI-TYR | data/4W/4WJI-TYR/4WJI-TYR_ligand.pdbqt | data/4W/4WJI-TYR/4WJI-TYR_target.pdbqt | data/4W/4WJI-TYR/4WJI-TYR_decoys.pdbqt | data/4W/4WJI-TYR/4WJI-TYR_decoy_scores.csv |
4W9D-3JK | data/4W/4W9D-3JK/4W9D-3JK_ligand.pdbqt | data/4W/4W9D-3JK/4W9D-3JK_target.pdbqt | null | null |
4WH3-ATP | data/4W/4WH3-ATP/4WH3-ATP_ligand.pdbqt | data/4W/4WH3-ATP/4WH3-ATP_target.pdbqt | data/4W/4WH3-ATP/4WH3-ATP_decoys.pdbqt | data/4W/4WH3-ATP/4WH3-ATP_decoy_scores.csv |
4WXL-BB2 | data/4W/4WXL-BB2/4WXL-BB2_ligand.pdbqt | data/4W/4WXL-BB2/4WXL-BB2_target.pdbqt | data/4W/4WXL-BB2/4WXL-BB2_decoys.pdbqt | data/4W/4WXL-BB2/4WXL-BB2_decoy_scores.csv |
4WKQ-IRE | data/4W/4WKQ-IRE/4WKQ-IRE_ligand.pdbqt | data/4W/4WKQ-IRE/4WKQ-IRE_target.pdbqt | data/4W/4WKQ-IRE/4WKQ-IRE_decoys.pdbqt | data/4W/4WKQ-IRE/4WKQ-IRE_decoy_scores.csv |
4WYF-3VX | data/4W/4WYF-3VX/4WYF-3VX_ligand.pdbqt | data/4W/4WYF-3VX/4WYF-3VX_target.pdbqt | data/4W/4WYF-3VX/4WYF-3VX_decoys.pdbqt | data/4W/4WYF-3VX/4WYF-3VX_decoy_scores.csv |
4WX7-3VJ | data/4W/4WX7-3VJ/4WX7-3VJ_ligand.pdbqt | data/4W/4WX7-3VJ/4WX7-3VJ_target.pdbqt | data/4W/4WX7-3VJ/4WX7-3VJ_decoys.pdbqt | data/4W/4WX7-3VJ/4WX7-3VJ_decoy_scores.csv |
4WZ8-3W7 | data/4W/4WZ8-3W7/4WZ8-3W7_ligand.pdbqt | data/4W/4WZ8-3W7/4WZ8-3W7_target.pdbqt | data/4W/4WZ8-3W7/4WZ8-3W7_decoys.pdbqt | data/4W/4WZ8-3W7/4WZ8-3W7_decoy_scores.csv |
4WYA-3VQ | data/4W/4WYA-3VQ/4WYA-3VQ_ligand.pdbqt | data/4W/4WYA-3VQ/4WYA-3VQ_target.pdbqt | data/4W/4WYA-3VQ/4WYA-3VQ_decoys.pdbqt | data/4W/4WYA-3VQ/4WYA-3VQ_decoy_scores.csv |
4WXP-3VY | data/4W/4WXP-3VY/4WXP-3VY_ligand.pdbqt | data/4W/4WXP-3VY/4WXP-3VY_target.pdbqt | data/4W/4WXP-3VY/4WXP-3VY_decoys.pdbqt | data/4W/4WXP-3VY/4WXP-3VY_decoy_scores.csv |
4WZZ-RAM | data/4W/4WZZ-RAM/4WZZ-RAM_ligand.pdbqt | data/4W/4WZZ-RAM/4WZZ-RAM_target.pdbqt | data/4W/4WZZ-RAM/4WZZ-RAM_decoys.pdbqt | data/4W/4WZZ-RAM/4WZZ-RAM_decoy_scores.csv |
4WUV-NAD | data/4W/4WUV-NAD/4WUV-NAD_ligand.pdbqt | data/4W/4WUV-NAD/4WUV-NAD_target.pdbqt | data/4W/4WUV-NAD/4WUV-NAD_decoys.pdbqt | data/4W/4WUV-NAD/4WUV-NAD_decoy_scores.csv |
4WGJ-ANP | data/4W/4WGJ-ANP/4WGJ-ANP_ligand.pdbqt | data/4W/4WGJ-ANP/4WGJ-ANP_target.pdbqt | data/4W/4WGJ-ANP/4WGJ-ANP_decoys.pdbqt | data/4W/4WGJ-ANP/4WGJ-ANP_decoy_scores.csv |
4WPD-3SQ | data/4W/4WPD-3SQ/4WPD-3SQ_ligand.pdbqt | data/4W/4WPD-3SQ/4WPD-3SQ_target.pdbqt | data/4W/4WPD-3SQ/4WPD-3SQ_decoys.pdbqt | data/4W/4WPD-3SQ/4WPD-3SQ_decoy_scores.csv |
4WVF-K76 | data/4W/4WVF-K76/4WVF-K76_ligand.pdbqt | data/4W/4WVF-K76/4WVF-K76_target.pdbqt | data/4W/4WVF-K76/4WVF-K76_decoys.pdbqt | data/4W/4WVF-K76/4WVF-K76_decoy_scores.csv |
4WZ6-ATP | data/4W/4WZ6-ATP/4WZ6-ATP_ligand.pdbqt | data/4W/4WZ6-ATP/4WZ6-ATP_target.pdbqt | data/4W/4WZ6-ATP/4WZ6-ATP_decoys.pdbqt | data/4W/4WZ6-ATP/4WZ6-ATP_decoy_scores.csv |
4WG4-UWB | data/4W/4WG4-UWB/4WG4-UWB_ligand.pdbqt | data/4W/4WG4-UWB/4WG4-UWB_target.pdbqt | data/4W/4WG4-UWB/4WG4-UWB_decoys.pdbqt | data/4W/4WG4-UWB/4WG4-UWB_decoy_scores.csv |
4WDB-2AM | data/4W/4WDB-2AM/4WDB-2AM_ligand.pdbqt | data/4W/4WDB-2AM/4WDB-2AM_target.pdbqt | data/4W/4WDB-2AM/4WDB-2AM_decoys.pdbqt | data/4W/4WDB-2AM/4WDB-2AM_decoy_scores.csv |
4WXJ-GLU | data/4W/4WXJ-GLU/4WXJ-GLU_ligand.pdbqt | data/4W/4WXJ-GLU/4WXJ-GLU_target.pdbqt | data/4W/4WXJ-GLU/4WXJ-GLU_decoys.pdbqt | data/4W/4WXJ-GLU/4WXJ-GLU_decoy_scores.csv |
4WB9-NAI | data/4W/4WB9-NAI/4WB9-NAI_ligand.pdbqt | data/4W/4WB9-NAI/4WB9-NAI_target.pdbqt | null | null |
4WCM-API | data/4W/4WCM-API/4WCM-API_ligand.pdbqt | data/4W/4WCM-API/4WCM-API_target.pdbqt | data/4W/4WCM-API/4WCM-API_decoys.pdbqt | data/4W/4WCM-API/4WCM-API_decoy_scores.csv |
4WVB-GLC | data/4W/4WVB-GLC/4WVB-GLC_ligand.pdbqt | data/4W/4WVB-GLC/4WVB-GLC_target.pdbqt | data/4W/4WVB-GLC/4WVB-GLC_decoys.pdbqt | data/4W/4WVB-GLC/4WVB-GLC_decoy_scores.csv |
4W9W-YDJ | data/4W/4W9W-YDJ/4W9W-YDJ_ligand.pdbqt | data/4W/4W9W-YDJ/4W9W-YDJ_target.pdbqt | data/4W/4W9W-YDJ/4W9W-YDJ_decoys.pdbqt | data/4W/4W9W-YDJ/4W9W-YDJ_decoy_scores.csv |
4WHU-3OT | data/4W/4WHU-3OT/4WHU-3OT_ligand.pdbqt | data/4W/4WHU-3OT/4WHU-3OT_target.pdbqt | data/4W/4WHU-3OT/4WHU-3OT_decoys.pdbqt | data/4W/4WHU-3OT/4WHU-3OT_decoy_scores.csv |
4W5I-3GX | data/4W/4W5I-3GX/4W5I-3GX_ligand.pdbqt | data/4W/4W5I-3GX/4W5I-3GX_target.pdbqt | data/4W/4W5I-3GX/4W5I-3GX_decoys.pdbqt | data/4W/4W5I-3GX/4W5I-3GX_decoy_scores.csv |
4WUC-ANP | data/4W/4WUC-ANP/4WUC-ANP_ligand.pdbqt | data/4W/4WUC-ANP/4WUC-ANP_target.pdbqt | data/4W/4WUC-ANP/4WUC-ANP_decoys.pdbqt | data/4W/4WUC-ANP/4WUC-ANP_decoy_scores.csv |
4WXH-SAH | data/4W/4WXH-SAH/4WXH-SAH_ligand.pdbqt | data/4W/4WXH-SAH/4WXH-SAH_target.pdbqt | data/4W/4WXH-SAH/4WXH-SAH_decoys.pdbqt | data/4W/4WXH-SAH/4WXH-SAH_decoy_scores.csv |
4WQ3-3SU | data/4W/4WQ3-3SU/4WQ3-3SU_ligand.pdbqt | data/4W/4WQ3-3SU/4WQ3-3SU_target.pdbqt | data/4W/4WQ3-3SU/4WQ3-3SU_decoys.pdbqt | data/4W/4WQ3-3SU/4WQ3-3SU_decoy_scores.csv |
4WW8-VD9 | data/4W/4WW8-VD9/4WW8-VD9_ligand.pdbqt | data/4W/4WW8-VD9/4WW8-VD9_target.pdbqt | data/4W/4WW8-VD9/4WW8-VD9_decoys.pdbqt | data/4W/4WW8-VD9/4WW8-VD9_decoy_scores.csv |
4WNV-QI9 | data/4W/4WNV-QI9/4WNV-QI9_ligand.pdbqt | data/4W/4WNV-QI9/4WNV-QI9_target.pdbqt | data/4W/4WNV-QI9/4WNV-QI9_decoys.pdbqt | data/4W/4WNV-QI9/4WNV-QI9_decoy_scores.csv |
4WZH-FMN | data/4W/4WZH-FMN/4WZH-FMN_ligand.pdbqt | data/4W/4WZH-FMN/4WZH-FMN_target.pdbqt | data/4W/4WZH-FMN/4WZH-FMN_decoys.pdbqt | data/4W/4WZH-FMN/4WZH-FMN_decoy_scores.csv |
4W7D-NHE | data/4W/4W7D-NHE/4W7D-NHE_ligand.pdbqt | data/4W/4W7D-NHE/4W7D-NHE_target.pdbqt | data/4W/4W7D-NHE/4W7D-NHE_decoys.pdbqt | data/4W/4W7D-NHE/4W7D-NHE_decoy_scores.csv |
4WX4-3VF | data/4W/4WX4-3VF/4WX4-3VF_ligand.pdbqt | data/4W/4WX4-3VF/4WX4-3VF_target.pdbqt | data/4W/4WX4-3VF/4WX4-3VF_decoys.pdbqt | data/4W/4WX4-3VF/4WX4-3VF_decoy_scores.csv |
4WOV-3SM | data/4W/4WOV-3SM/4WOV-3SM_ligand.pdbqt | data/4W/4WOV-3SM/4WOV-3SM_target.pdbqt | data/4W/4WOV-3SM/4WOV-3SM_decoys.pdbqt | data/4W/4WOV-3SM/4WOV-3SM_decoy_scores.csv |
4WHM-UDP | data/4W/4WHM-UDP/4WHM-UDP_ligand.pdbqt | data/4W/4WHM-UDP/4WHM-UDP_target.pdbqt | data/4W/4WHM-UDP/4WHM-UDP_decoys.pdbqt | data/4W/4WHM-UDP/4WHM-UDP_decoy_scores.csv |
4WLO-NAI | data/4W/4WLO-NAI/4WLO-NAI_ligand.pdbqt | data/4W/4WLO-NAI/4WLO-NAI_target.pdbqt | data/4W/4WLO-NAI/4WLO-NAI_decoys.pdbqt | data/4W/4WLO-NAI/4WLO-NAI_decoy_scores.csv |
4WK7-3PQ | data/4W/4WK7-3PQ/4WK7-3PQ_ligand.pdbqt | data/4W/4WK7-3PQ/4WK7-3PQ_target.pdbqt | data/4W/4WK7-3PQ/4WK7-3PQ_decoys.pdbqt | data/4W/4WK7-3PQ/4WK7-3PQ_decoy_scores.csv |
4W56-3GY | data/4W/4W56-3GY/4W56-3GY_ligand.pdbqt | data/4W/4W56-3GY/4W56-3GY_target.pdbqt | data/4W/4W56-3GY/4W56-3GY_decoys.pdbqt | data/4W/4W56-3GY/4W56-3GY_decoy_scores.csv |
4WQL-KAN | data/4W/4WQL-KAN/4WQL-KAN_ligand.pdbqt | data/4W/4WQL-KAN/4WQL-KAN_target.pdbqt | data/4W/4WQL-KAN/4WQL-KAN_decoys.pdbqt | data/4W/4WQL-KAN/4WQL-KAN_decoy_scores.csv |
4WO1-OLC | data/4W/4WO1-OLC/4WO1-OLC_ligand.pdbqt | data/4W/4WO1-OLC/4WO1-OLC_target.pdbqt | data/4W/4WO1-OLC/4WO1-OLC_decoys.pdbqt | data/4W/4WO1-OLC/4WO1-OLC_decoy_scores.csv |
4WRS-3U1 | data/4W/4WRS-3U1/4WRS-3U1_ligand.pdbqt | data/4W/4WRS-3U1/4WRS-3U1_target.pdbqt | data/4W/4WRS-3U1/4WRS-3U1_decoys.pdbqt | data/4W/4WRS-3U1/4WRS-3U1_decoy_scores.csv |
4WZY-ATP | data/4W/4WZY-ATP/4WZY-ATP_ligand.pdbqt | data/4W/4WZY-ATP/4WZY-ATP_target.pdbqt | data/4W/4WZY-ATP/4WZY-ATP_decoys.pdbqt | data/4W/4WZY-ATP/4WZY-ATP_decoy_scores.csv |
4WXU-P6G | data/4W/4WXU-P6G/4WXU-P6G_ligand.pdbqt | data/4W/4WXU-P6G/4WXU-P6G_target.pdbqt | data/4W/4WXU-P6G/4WXU-P6G_decoys.pdbqt | data/4W/4WXU-P6G/4WXU-P6G_decoy_scores.csv |
4WV7-3UM | data/4W/4WV7-3UM/4WV7-3UM_ligand.pdbqt | data/4W/4WV7-3UM/4WV7-3UM_target.pdbqt | data/4W/4WV7-3UM/4WV7-3UM_decoys.pdbqt | data/4W/4WV7-3UM/4WV7-3UM_decoy_scores.csv |
4WGG-CIY | data/4W/4WGG-CIY/4WGG-CIY_ligand.pdbqt | data/4W/4WGG-CIY/4WGG-CIY_target.pdbqt | data/4W/4WGG-CIY/4WGG-CIY_decoys.pdbqt | data/4W/4WGG-CIY/4WGG-CIY_decoy_scores.csv |
4WL9-HC4 | data/4W/4WL9-HC4/4WL9-HC4_ligand.pdbqt | data/4W/4WL9-HC4/4WL9-HC4_target.pdbqt | data/4W/4WL9-HC4/4WL9-HC4_decoys.pdbqt | data/4W/4WL9-HC4/4WL9-HC4_decoy_scores.csv |
4WVO-3UZ | data/4W/4WVO-3UZ/4WVO-3UZ_ligand.pdbqt | data/4W/4WVO-3UZ/4WVO-3UZ_target.pdbqt | data/4W/4WVO-3UZ/4WVO-3UZ_decoys.pdbqt | data/4W/4WVO-3UZ/4WVO-3UZ_decoy_scores.csv |
4WKO-GMD | data/4W/4WKO-GMD/4WKO-GMD_ligand.pdbqt | data/4W/4WKO-GMD/4WKO-GMD_target.pdbqt | data/4W/4WKO-GMD/4WKO-GMD_decoys.pdbqt | data/4W/4WKO-GMD/4WKO-GMD_decoy_scores.csv |
4WTY-4IP | data/4W/4WTY-4IP/4WTY-4IP_ligand.pdbqt | data/4W/4WTY-4IP/4WTY-4IP_target.pdbqt | data/4W/4WTY-4IP/4WTY-4IP_decoys.pdbqt | data/4W/4WTY-4IP/4WTY-4IP_decoy_scores.csv |
4WNU-QDN | data/4W/4WNU-QDN/4WNU-QDN_ligand.pdbqt | data/4W/4WNU-QDN/4WNU-QDN_target.pdbqt | data/4W/4WNU-QDN/4WNU-QDN_decoys.pdbqt | data/4W/4WNU-QDN/4WNU-QDN_decoy_scores.csv |
4W9K-3JO | data/4W/4W9K-3JO/4W9K-3JO_ligand.pdbqt | data/4W/4W9K-3JO/4W9K-3JO_target.pdbqt | null | null |
4W57-N4B | data/4W/4W57-N4B/4W57-N4B_ligand.pdbqt | data/4W/4W57-N4B/4W57-N4B_target.pdbqt | data/4W/4W57-N4B/4W57-N4B_decoys.pdbqt | data/4W/4W57-N4B/4W57-N4B_decoy_scores.csv |
4WEC-NAD | data/4W/4WEC-NAD/4WEC-NAD_ligand.pdbqt | data/4W/4WEC-NAD/4WEC-NAD_target.pdbqt | data/4W/4WEC-NAD/4WEC-NAD_decoys.pdbqt | data/4W/4WEC-NAD/4WEC-NAD_decoy_scores.csv |
4W9S-3K1 | data/4W/4W9S-3K1/4W9S-3K1_ligand.pdbqt | data/4W/4W9S-3K1/4W9S-3K1_target.pdbqt | data/4W/4W9S-3K1/4W9S-3K1_decoys.pdbqt | data/4W/4W9S-3K1/4W9S-3K1_decoy_scores.csv |
4WDT-WDT | data/4W/4WDT-WDT/4WDT-WDT_ligand.pdbqt | data/4W/4WDT-WDT/4WDT-WDT_target.pdbqt | data/4W/4WDT-WDT/4WDT-WDT_decoys.pdbqt | data/4W/4WDT-WDT/4WDT-WDT_decoy_scores.csv |
4WXS-P6G | data/4W/4WXS-P6G/4WXS-P6G_ligand.pdbqt | data/4W/4WXS-P6G/4WXS-P6G_target.pdbqt | data/4W/4WXS-P6G/4WXS-P6G_decoys.pdbqt | data/4W/4WXS-P6G/4WXS-P6G_decoy_scores.csv |
4W1X-3G9 | data/4W/4W1X-3G9/4W1X-3G9_ligand.pdbqt | data/4W/4W1X-3G9/4W1X-3G9_target.pdbqt | data/4W/4W1X-3G9/4W1X-3G9_decoys.pdbqt | data/4W/4W1X-3G9/4W1X-3G9_decoy_scores.csv |
4W9Q-3JP | data/4W/4W9Q-3JP/4W9Q-3JP_ligand.pdbqt | data/4W/4W9Q-3JP/4W9Q-3JP_target.pdbqt | data/4W/4W9Q-3JP/4W9Q-3JP_decoys.pdbqt | data/4W/4W9Q-3JP/4W9Q-3JP_decoy_scores.csv |
4WW6-3TV | data/4W/4WW6-3TV/4WW6-3TV_ligand.pdbqt | data/4W/4WW6-3TV/4WW6-3TV_target.pdbqt | data/4W/4WW6-3TV/4WW6-3TV_decoys.pdbqt | data/4W/4WW6-3TV/4WW6-3TV_decoy_scores.csv |
4WKC-BIG | data/4W/4WKC-BIG/4WKC-BIG_ligand.pdbqt | data/4W/4WKC-BIG/4WKC-BIG_target.pdbqt | data/4W/4WKC-BIG/4WKC-BIG_decoys.pdbqt | data/4W/4WKC-BIG/4WKC-BIG_decoy_scores.csv |
4WYE-3VW | data/4W/4WYE-3VW/4WYE-3VW_ligand.pdbqt | data/4W/4WYE-3VW/4WYE-3VW_target.pdbqt | data/4W/4WYE-3VW/4WYE-3VW_decoys.pdbqt | data/4W/4WYE-3VW/4WYE-3VW_decoy_scores.csv |
4WX0-HXD | data/4W/4WX0-HXD/4WX0-HXD_ligand.pdbqt | data/4W/4WX0-HXD/4WX0-HXD_target.pdbqt | data/4W/4WX0-HXD/4WX0-HXD_decoys.pdbqt | data/4W/4WX0-HXD/4WX0-HXD_decoy_scores.csv |
4WQ5-ATP | data/4W/4WQ5-ATP/4WQ5-ATP_ligand.pdbqt | data/4W/4WQ5-ATP/4WQ5-ATP_target.pdbqt | data/4W/4WQ5-ATP/4WQ5-ATP_decoys.pdbqt | data/4W/4WQ5-ATP/4WQ5-ATP_decoy_scores.csv |
4WNO-3RF | data/4W/4WNO-3RF/4WNO-3RF_ligand.pdbqt | data/4W/4WNO-3RF/4WNO-3RF_target.pdbqt | data/4W/4WNO-3RF/4WNO-3RF_decoys.pdbqt | data/4W/4WNO-3RF/4WNO-3RF_decoy_scores.csv |
4WUY-SAH | data/4W/4WUY-SAH/4WUY-SAH_ligand.pdbqt | data/4W/4WUY-SAH/4WUY-SAH_target.pdbqt | data/4W/4WUY-SAH/4WUY-SAH_decoys.pdbqt | data/4W/4WUY-SAH/4WUY-SAH_decoy_scores.csv |
4WN0-G3P | data/4W/4WN0-G3P/4WN0-G3P_ligand.pdbqt | data/4W/4WN0-G3P/4WN0-G3P_target.pdbqt | data/4W/4WN0-G3P/4WN0-G3P_decoys.pdbqt | data/4W/4WN0-G3P/4WN0-G3P_decoy_scores.csv |
4WYZ-U3P | data/4W/4WYZ-U3P/4WYZ-U3P_ligand.pdbqt | data/4W/4WYZ-U3P/4WYZ-U3P_target.pdbqt | data/4W/4WYZ-U3P/4WYZ-U3P_decoys.pdbqt | data/4W/4WYZ-U3P/4WYZ-U3P_decoy_scores.csv |
4W85-BGC | data/4W/4W85-BGC/4W85-BGC_ligand.pdbqt | data/4W/4W85-BGC/4W85-BGC_target.pdbqt | data/4W/4W85-BGC/4W85-BGC_decoys.pdbqt | data/4W/4W85-BGC/4W85-BGC_decoy_scores.csv |
4WWH-GAL | data/4W/4WWH-GAL/4WWH-GAL_ligand.pdbqt | data/4W/4WWH-GAL/4WWH-GAL_target.pdbqt | data/4W/4WWH-GAL/4WWH-GAL_decoys.pdbqt | data/4W/4WWH-GAL/4WWH-GAL_decoy_scores.csv |
4WJM-ANP | data/4W/4WJM-ANP/4WJM-ANP_ligand.pdbqt | data/4W/4WJM-ANP/4WJM-ANP_target.pdbqt | data/4W/4WJM-ANP/4WJM-ANP_decoys.pdbqt | data/4W/4WJM-ANP/4WJM-ANP_decoy_scores.csv |
5KP7-PNS | data/5K/5KP7-PNS/5KP7-PNS_ligand.pdbqt | data/5K/5KP7-PNS/5KP7-PNS_target.pdbqt | data/5K/5KP7-PNS/5KP7-PNS_decoys.pdbqt | data/5K/5KP7-PNS/5KP7-PNS_decoy_scores.csv |
5KJ0-6TB | data/5K/5KJ0-6TB/5KJ0-6TB_ligand.pdbqt | data/5K/5KJ0-6TB/5KJ0-6TB_target.pdbqt | data/5K/5KJ0-6TB/5KJ0-6TB_decoys.pdbqt | data/5K/5KJ0-6TB/5KJ0-6TB_decoy_scores.csv |
5KZY-CY8 | data/5K/5KZY-CY8/5KZY-CY8_ligand.pdbqt | data/5K/5KZY-CY8/5KZY-CY8_target.pdbqt | data/5K/5KZY-CY8/5KZY-CY8_decoys.pdbqt | data/5K/5KZY-CY8/5KZY-CY8_decoy_scores.csv |
5K8X-PE8 | data/5K/5K8X-PE8/5K8X-PE8_ligand.pdbqt | data/5K/5K8X-PE8/5K8X-PE8_target.pdbqt | data/5K/5K8X-PE8/5K8X-PE8_decoys.pdbqt | data/5K/5K8X-PE8/5K8X-PE8_decoy_scores.csv |
5K8P-6R8 | data/5K/5K8P-6R8/5K8P-6R8_ligand.pdbqt | data/5K/5K8P-6R8/5K8P-6R8_target.pdbqt | data/5K/5K8P-6R8/5K8P-6R8_decoys.pdbqt | data/5K/5K8P-6R8/5K8P-6R8_decoy_scores.csv |
5KV8-NDG | data/5K/5KV8-NDG/5KV8-NDG_ligand.pdbqt | data/5K/5KV8-NDG/5KV8-NDG_target.pdbqt | data/5K/5KV8-NDG/5KV8-NDG_decoys.pdbqt | data/5K/5KV8-NDG/5KV8-NDG_decoy_scores.csv |
5K2M-ADP | data/5K/5K2M-ADP/5K2M-ADP_ligand.pdbqt | data/5K/5K2M-ADP/5K2M-ADP_target.pdbqt | data/5K/5K2M-ADP/5K2M-ADP_decoys.pdbqt | data/5K/5K2M-ADP/5K2M-ADP_decoy_scores.csv |
5KO1-6UY | data/5K/5KO1-6UY/5KO1-6UY_ligand.pdbqt | data/5K/5KO1-6UY/5KO1-6UY_target.pdbqt | data/5K/5KO1-6UY/5KO1-6UY_decoys.pdbqt | data/5K/5KO1-6UY/5KO1-6UY_decoy_scores.csv |
5KLO-2VS | data/5K/5KLO-2VS/5KLO-2VS_ligand.pdbqt | data/5K/5KLO-2VS/5KLO-2VS_target.pdbqt | data/5K/5KLO-2VS/5KLO-2VS_decoys.pdbqt | data/5K/5KLO-2VS/5KLO-2VS_decoy_scores.csv |
5KOI-NAD | data/5K/5KOI-NAD/5KOI-NAD_ligand.pdbqt | data/5K/5KOI-NAD/5KOI-NAD_target.pdbqt | data/5K/5KOI-NAD/5KOI-NAD_decoys.pdbqt | data/5K/5KOI-NAD/5KOI-NAD_decoy_scores.csv |
5KMI-6UE | data/5K/5KMI-6UE/5KMI-6UE_ligand.pdbqt | data/5K/5KMI-6UE/5KMI-6UE_target.pdbqt | data/5K/5KMI-6UE/5KMI-6UE_decoys.pdbqt | data/5K/5KMI-6UE/5KMI-6UE_decoy_scores.csv |
5K8X-6ZH | data/5K/5K8X-6ZH/5K8X-6ZH_ligand.pdbqt | data/5K/5K8X-6ZH/5K8X-6ZH_target.pdbqt | data/5K/5K8X-6ZH/5K8X-6ZH_decoys.pdbqt | data/5K/5K8X-6ZH/5K8X-6ZH_decoy_scores.csv |
5K9D-FNR | data/5K/5K9D-FNR/5K9D-FNR_ligand.pdbqt | data/5K/5K9D-FNR/5K9D-FNR_target.pdbqt | data/5K/5K9D-FNR/5K9D-FNR_decoys.pdbqt | data/5K/5K9D-FNR/5K9D-FNR_decoy_scores.csv |
5K0B-CXS | data/5K/5K0B-CXS/5K0B-CXS_ligand.pdbqt | data/5K/5K0B-CXS/5K0B-CXS_target.pdbqt | data/5K/5K0B-CXS/5K0B-CXS_decoys.pdbqt | data/5K/5K0B-CXS/5K0B-CXS_decoy_scores.csv |
5KP8-PNS | data/5K/5KP8-PNS/5KP8-PNS_ligand.pdbqt | data/5K/5KP8-PNS/5KP8-PNS_target.pdbqt | data/5K/5KP8-PNS/5KP8-PNS_decoys.pdbqt | data/5K/5KP8-PNS/5KP8-PNS_decoy_scores.csv |
5KOD-IAC | data/5K/5KOD-IAC/5KOD-IAC_ligand.pdbqt | data/5K/5KOD-IAC/5KOD-IAC_target.pdbqt | data/5K/5KOD-IAC/5KOD-IAC_decoys.pdbqt | data/5K/5KOD-IAC/5KOD-IAC_decoy_scores.csv |
5K4X-IMP | data/5K/5K4X-IMP/5K4X-IMP_ligand.pdbqt | data/5K/5K4X-IMP/5K4X-IMP_target.pdbqt | data/5K/5K4X-IMP/5K4X-IMP_decoys.pdbqt | data/5K/5K4X-IMP/5K4X-IMP_decoy_scores.csv |
5KTU-6XB | data/5K/5KTU-6XB/5KTU-6XB_ligand.pdbqt | data/5K/5KTU-6XB/5KTU-6XB_target.pdbqt | data/5K/5KTU-6XB/5KTU-6XB_decoys.pdbqt | data/5K/5KTU-6XB/5KTU-6XB_decoy_scores.csv |
5KRA-6WT | data/5K/5KRA-6WT/5KRA-6WT_ligand.pdbqt | data/5K/5KRA-6WT/5KRA-6WT_target.pdbqt | data/5K/5KRA-6WT/5KRA-6WT_decoys.pdbqt | data/5K/5KRA-6WT/5KRA-6WT_decoy_scores.csv |
5KOD-AMP | data/5K/5KOD-AMP/5KOD-AMP_ligand.pdbqt | data/5K/5KOD-AMP/5KOD-AMP_target.pdbqt | data/5K/5KOD-AMP/5KOD-AMP_decoys.pdbqt | data/5K/5KOD-AMP/5KOD-AMP_decoy_scores.csv |
5KKE-CM5 | data/5K/5KKE-CM5/5KKE-CM5_ligand.pdbqt | data/5K/5KKE-CM5/5KKE-CM5_target.pdbqt | data/5K/5KKE-CM5/5KKE-CM5_decoys.pdbqt | data/5K/5KKE-CM5/5KKE-CM5_decoy_scores.csv |
5K0E-6OZ | data/5K/5K0E-6OZ/5K0E-6OZ_ligand.pdbqt | data/5K/5K0E-6OZ/5K0E-6OZ_target.pdbqt | data/5K/5K0E-6OZ/5K0E-6OZ_decoys.pdbqt | data/5K/5K0E-6OZ/5K0E-6OZ_decoy_scores.csv |
5K0F-NHE | data/5K/5K0F-NHE/5K0F-NHE_ligand.pdbqt | data/5K/5K0F-NHE/5K0F-NHE_target.pdbqt | data/5K/5K0F-NHE/5K0F-NHE_decoys.pdbqt | data/5K/5K0F-NHE/5K0F-NHE_decoy_scores.csv |
5KSP-GDP | data/5K/5KSP-GDP/5KSP-GDP_ligand.pdbqt | data/5K/5KSP-GDP/5KSP-GDP_target.pdbqt | data/5K/5KSP-GDP/5KSP-GDP_decoys.pdbqt | data/5K/5KSP-GDP/5KSP-GDP_decoy_scores.csv |
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