Computational Data_Non-Covalent Pyridoxal Kinase (PDXK) Inhibitors
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资源简介：
This integrative approach merges high-throughput virtual screening, classification-augmented regression ranking, validation measures with experimentally available FDA-approved drug candidates, mechanistic docking, comprehensive physicochemical/ADMET profiling and molecular dynamics simulation analysis to efficiently bridge predictive informatics with the rational design of non-covalent PDXK inhibitors for plausible translational antimalarial efficacy.
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Zenodo创建时间：
2026-03-12
