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Updated: Jan 29, 2026

Deciphering the Structural Effects of Activating EGFR Somatic Mutations with Molecular Dynamics Simulation
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碳水化合物结合模块的计算设计 - 化PETase类似酶用于增强多烯酸 (PCL) 降解:结构洞察力,分子动力学和QM/MM模拟

Naseer Ahmed1, Muhammad Ikhlas Abdjan2, Nanik Siti Aminah3

  • 1Research Centre for Genetic Engineering, Research Organization of Life Science and Environment, National Research and Innovation Agency-Republic of Indonesia (BRIN), KST Soekarno Cibinong, Bogor, Indonesia.

Journal of biomolecular structure & dynamics
|January 28, 2026
PubMed
概括

这项研究通过计算将一种新型的PET酶类酶与碳水化合物结合模块 (CBM) 融合在一起,以增强聚烯酸 (PCL) 的塑料降解. 在改善PCL分解方面,BlCBM5和TrCBM复合体表现最有前途.

关键词:
在CBM融合 CBM融合.在PCL降解下降.在PET中含有PET酸酶.QM/MM-GBSA QM/MM-GBSA QM/MM-GBSA QM/MM-GBSA QM/MM-GBSA QM/MM-GBSA QM/MM-GBSA QM/MM-GBSA QM/MM-GBSA QM/MM-GBSA QM/MM-GBSA QM/MM-GBSA QM/MM-GBSA QM/MM-GBSA QM/MM-GBSA QM/MM-GBSA QM/MM分子动力学分子动力学

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