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Integrating Strategy to Investigate the Formation and Stabilization Mechanisms of Curcumin-Cyclodextrin Inclusion Complexes: Experimental Characterizations and Multi-Scale Computational Simulations.

Pu Zheng, Xinru Chen, Chunyang Zhao, Jialong Wang, Jianhong Zhang, Xiong Hu,Wenchao Geng,Qianqian Zhao

FOOD HYDROCOLLOIDS(2025)

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关键词
Curcumin,beta-Cyclodextrin,MD simulation,Umbrella sampling simulation,Quantum mechanics,Free energy calculation
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