GBDT_KgluSite: An improved computational prediction model for lysine glutarylation sites based on feature fusion and GBDT classifier.

Background: Lysine glutarylation (Kglu) is one of the most important Post-translational modifications (PTMs), which plays significant roles in various cellular functions, including metabolism, mitochondrial processes, and translation. Therefore, accurate identification of the Kglu site is important for elucidating protein molecular function. Due to the time-consuming and expensive limitations of traditional biological experiments, computational-based Kglu site prediction research is gaining more and more attention.

Comparative analysis of electronic, magnetic, catalytic properties of clusters (PS, CrPS, AlPS, GaPS, n = 1 ~ 3) based on density functional theory.

Context: The article presents a comparative study of the electronic, magnetic and catalytic properties of CrPS, AlPS, GaPS and their expanded structures. It is finally found that: When n = 2, 3, the internal electron mobility of the configurations is stronger than when n = 0,1. When n = 1, the five configurations, except configuration 1Cr, are susceptible to both electrophilic and nucleophilic reactions at the same time.