Exploring Novel Antimalarial Compounds Targeting Plasmodium falciparum Enoyl-ACP Reductase: Computational and Experimental Insights
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下载链接：
https://zenodo.org/record/8277852
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资源简介：
Library 1 with molecules already tested in vitro against PfENR in .sdf format. for the first molecular docking.
.omv file of data used for ROC curve analysis.
Library 2 with molecules structurally similar to the leader molecules LD1 and LD2 in .sdf format.
CHJ and TCL standards used in molecular docking and DM.
Chain A of the PDB coded structure 4IGE with NADH used in the molecular docking experiment.
Input files for DM in PDB format:
- PfENR_NAD_CHJ_DM
- PfENR_NAD_LG1_DM
- PfENR_NAD_LG2_DM
- PfENR_NAD_TCL_DM
创建时间：
2023-09-05
