Multi-scale Computational Modeling to Identify Novel Chemical Scaffolds As Trehalose-6-phosphate Phosphatase Inhibitors to Combat Burkholderia Pseudomallei.

Sara Noor,Mohammad Abdullah Aljasir, Maryam Bashir, Kalsoom Khan,Sajjad Ahmad,Syed Ainul Abideen, Saifullah Khan,Farhan Siddique, Hamza Ahmad, Khudija Ghani, Madiha Iqbal, Muhammad Irfan,Abbas Khan,Dong-Qing Wei

In Silico Pharmacology（2025）

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关键词

Burkholderia pseudomallei,Structure-based virtual screening,Molecular docking simulation,Density functional theory

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