酶催化机制的多尺度计算模拟

酶催化机制的多尺度计算模拟

科研项目：

国家自然科学基金青年科学基金项目（22403046,2025.1-2027.12）

近五年代表文章：

(1) Yuanyuan Xu#, Hongwei Chen#, Lu Yu#, …, Changlin Tian*, Yong Liang*, Xiaoqiang Huang*, A Light-Driven Enzymatic Enantioselective Radical Acylation. Nature 2024, 625 (7993), 74-78.

(2) Xiaowei Zhang#, Hongwei Chen#, …, Yong Liang*, and Liao-Bin Dong*, Exploring bacterial cytochrome P450s for selective activation of aliphatic C-H bonds in pentacyclic triterpenoids. Nature Chem, 2026, 18, 1133–1141.

(3) Yu Hu#, Shu-Ya Peng#, Xueyang Ma#, Hongwei Chen#, Qiu-Yue Nie, …, Yong Liang*, Ming Ma*, and Gong-Li Tang*, Functional characterization and molecular basis of a multi-Site halogenase in naphthacemycin biosynthesis. Angew. Chem. Int. Ed. 2024, e202418843.

(4) Yi Shuang Wang#, Hongwei Chen#, …, Yong Liang*, Ren Xiang Tan*, Multi-enzyme Mediated Atypical Mode of Dehydration in Anthracycline Biosynthesis. ACS Catal. 2025, 15, 19253-19267.

(5) Hongwei Chen#, Junlin Wang#, …, Haizhen Wei*, Lin Guo*, Jing Ma*, Effects of Carbonate Species and Chloride Ions in Calcium Phosphate Nucleation of Biological Apatite. Sci. China Mater. 2023, 66, 2872-2884.

(6) Hongwei Chen#, Changchang Lv#, Lin Guo*, …, Xuefeng Guo*, Jing Ma*, Surface Stability and Morphology of Calcium Phosphate Tuned by pH Values and Lactic Acid Additives: Theoretical and Experimental Study. ACS Appl. Mater. Interfaces 2022, 14, 4836-4851.